smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1 ZINC000078379948 1069683928 /nfs/dbraw/zinc/68/39/28/1069683928.db2.gz UCUHCYVCVYRSER-ZSQOVEATSA-N 0 0 657.558 8.637 40 10 KKCBRN CC(=O)[C@H](N=Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H](N=Nc3ccc(Cl)cc3Cl)C(C)=O)c(C)c2)cc1C ZINC000095866419 1069688374 /nfs/dbraw/zinc/68/83/74/1069688374.db2.gz JFMYRCRXYIIGBB-IAKKTEEYSA-N 0 0 726.448 9.944 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102681374 1069706050 /nfs/dbraw/zinc/70/60/50/1069706050.db2.gz QROUYSPRLLANET-SGSZHJQISA-N 0 0 540.110 6.362 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102681252 1069706060 /nfs/dbraw/zinc/70/60/60/1069706060.db2.gz OWYFHANXQMEIBN-BTVXTAIASA-N 0 0 526.083 5.972 40 10 KKCBRN CC1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)CC1 ZINC000102687080 1069707116 /nfs/dbraw/zinc/70/71/16/1069707116.db2.gz GMUGJOGPFXLMID-ZTKZIYFRSA-N 0 0 534.685 6.821 40 10 KKCBRN O=C(c1ccccc1Br)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000408719937 1069735793 /nfs/dbraw/zinc/73/57/93/1069735793.db2.gz TYQVXESVDRIUTH-HMAPJEAMSA-N 0 0 504.430 6.797 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408870668 1069747971 /nfs/dbraw/zinc/74/79/71/1069747971.db2.gz WYTGQTXHRGFFEY-ODLFYWEKSA-N 0 0 665.311 6.805 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408875557 1069749038 /nfs/dbraw/zinc/74/90/38/1069749038.db2.gz JZXYXIUXJPIWNW-UHFFFAOYSA-N 0 0 674.560 7.244 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)SC1=S ZINC000409131898 1069783444 /nfs/dbraw/zinc/78/34/44/1069783444.db2.gz YYICWYIQAPPNDB-HAHDFKILSA-N 0 0 525.677 6.001 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 ZINC000409137647 1069788450 /nfs/dbraw/zinc/78/84/50/1069788450.db2.gz XOQHTPLPQSXONQ-JMIUGGIZSA-N 0 0 532.485 5.267 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409161790 1069791344 /nfs/dbraw/zinc/79/13/44/1069791344.db2.gz PTEIVQUAQYWQJR-ROTLSHHCSA-N 0 0 645.616 7.015 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409221066 1069801436 /nfs/dbraw/zinc/80/14/36/1069801436.db2.gz KINBKYPVWOXANZ-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408769415 1069876451 /nfs/dbraw/zinc/87/64/51/1069876451.db2.gz UBBVDGRUZOLQSC-USHMODERSA-N 0 0 556.615 5.379 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768750 1069874023 /nfs/dbraw/zinc/87/40/23/1069874023.db2.gz KCBIOHHNWADGQU-AUPFZTMHSA-N 0 0 705.458 6.292 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408768496 1069874086 /nfs/dbraw/zinc/87/40/86/1069874086.db2.gz XJBDSVODNUGCFF-BRPDVVIDSA-N 0 0 538.644 5.425 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408776011 1069881184 /nfs/dbraw/zinc/88/11/84/1069881184.db2.gz MHDVEYOFKZWOKP-FMCGGJTJSA-N 0 0 570.281 6.496 40 10 KKCBRN O=C1C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408773225 1069886211 /nfs/dbraw/zinc/88/62/11/1069886211.db2.gz JKGADZPWTWKTPA-UHFFFAOYSA-N 0 0 578.093 7.670 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408771882 1069882324 /nfs/dbraw/zinc/88/23/24/1069882324.db2.gz JVICMOFFKXVPFM-UHFFFAOYSA-N 0 0 662.334 7.383 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408774873 1069891314 /nfs/dbraw/zinc/89/13/14/1069891314.db2.gz DFMQNTMWFMSMSH-RJDQKLELSA-N 0 0 531.008 5.791 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000408776860 1069887930 /nfs/dbraw/zinc/88/79/30/1069887930.db2.gz RHQOLPHKWJCCQK-MYYYXRDXSA-N 0 0 535.438 6.133 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408777709 1069895095 /nfs/dbraw/zinc/89/50/95/1069895095.db2.gz GPKHKZGONJRKIJ-XKZIYDEJSA-N 0 0 574.302 7.431 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408778492 1069897831 /nfs/dbraw/zinc/89/78/31/1069897831.db2.gz GJDVIAKQIWASQI-UHFFFAOYSA-N 0 0 678.402 7.548 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408780589 1069903951 /nfs/dbraw/zinc/90/39/51/1069903951.db2.gz FRXISNCEICKCAG-JLPGSUDCSA-N 0 0 553.453 5.154 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408786660 1069922302 /nfs/dbraw/zinc/92/23/02/1069922302.db2.gz LRWXNUOBXBMRNS-JESJEVRBSA-N 0 0 745.708 6.978 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408791189 1069929486 /nfs/dbraw/zinc/92/94/86/1069929486.db2.gz WEWQYJNPHPFNQA-RISWYLRJSA-N 0 0 594.506 5.107 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408802156 1069931699 /nfs/dbraw/zinc/93/16/99/1069931699.db2.gz XFCIHAUXZUUFBW-IKEWTAEESA-N 0 0 505.107 7.802 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810270 1069963914 /nfs/dbraw/zinc/96/39/14/1069963914.db2.gz LXHAZFYJDSZJFY-CBPRFPNYSA-N 0 0 577.681 5.482 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408826373 1070003724 /nfs/dbraw/zinc/00/37/24/1070003724.db2.gz LIMSLBSRGDXCJB-HRISCLKESA-N 0 0 665.787 6.323 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826899 1070004759 /nfs/dbraw/zinc/00/47/59/1070004759.db2.gz LSMYNMDTZGRFBF-IMMOAUGXSA-N 0 0 631.798 6.660 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408837804 1070047055 /nfs/dbraw/zinc/04/70/55/1070047055.db2.gz NYWQXLPZOZCTHL-YTZAWJCFSA-N 0 0 565.722 8.823 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2F)N1c1cccc(Br)c1 ZINC000408841372 1070044453 /nfs/dbraw/zinc/04/44/53/1070044453.db2.gz GOJRFIJVYFBUCL-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000408842207 1070045880 /nfs/dbraw/zinc/04/58/80/1070045880.db2.gz IXMPUEWXHZTOMZ-FQKMCRJQSA-N 0 0 587.499 5.055 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408850872 1070065154 /nfs/dbraw/zinc/06/51/54/1070065154.db2.gz FDLWUCFGPRURGK-PKYOQBLNSA-N 0 0 634.596 5.756 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000408856686 1070067223 /nfs/dbraw/zinc/06/72/23/1070067223.db2.gz LCDWNLXVVIQUEO-UXUIJJIKSA-N 0 0 664.831 7.347 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408856020 1070075293 /nfs/dbraw/zinc/07/52/93/1070075293.db2.gz ILZIVLLVXIBCNQ-SRZZPIQSSA-N 0 0 560.275 7.540 40 10 KKCBRN Cc1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408864909 1070081651 /nfs/dbraw/zinc/08/16/51/1070081651.db2.gz AINAFBOSRDMPIU-UHFFFAOYSA-N 0 0 539.056 6.976 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408869977 1070083962 /nfs/dbraw/zinc/08/39/62/1070083962.db2.gz UHYLXLMLTPYQHL-QFEZKATASA-N 0 0 549.574 6.941 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408866380 1070085604 /nfs/dbraw/zinc/08/56/04/1070085604.db2.gz FIFYFGDUMNJELJ-JVAFGIKQSA-N 0 0 559.331 8.787 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408866965 1070086968 /nfs/dbraw/zinc/08/69/68/1070086968.db2.gz HQSLRIFKZDRGRG-MFOYZWKCSA-N 0 0 592.298 6.175 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408867509 1070087543 /nfs/dbraw/zinc/08/75/43/1070087543.db2.gz ITZKGIDNFQYAIJ-NHDPSOOVSA-N 0 0 501.833 6.747 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000408879688 1070104055 /nfs/dbraw/zinc/10/40/55/1070104055.db2.gz CNMRGDLKADZFSZ-UCQKPKSFSA-N 0 0 521.570 5.085 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408882569 1070126896 /nfs/dbraw/zinc/12/68/96/1070126896.db2.gz RCCZAKXSZQVJAD-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408889634 1070131804 /nfs/dbraw/zinc/13/18/04/1070131804.db2.gz IDSQJDPSXHJFKP-UHFFFAOYSA-N 0 0 603.527 7.719 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408901026 1070165975 /nfs/dbraw/zinc/16/59/75/1070165975.db2.gz BOWPMPVNGPKWJK-WSDLNYQXSA-N 0 0 546.895 7.096 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901367 1070167765 /nfs/dbraw/zinc/16/77/65/1070167765.db2.gz DRYZFMMMXGCUIS-DEDYPNTBSA-N 0 0 516.869 7.087 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408903856 1070177543 /nfs/dbraw/zinc/17/75/43/1070177543.db2.gz AKVBFRKDVJERQU-HYARGMPZSA-N 0 0 526.228 6.597 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc2ccccc21 ZINC000408904655 1070177527 /nfs/dbraw/zinc/17/75/27/1070177527.db2.gz MSQMFQRLTNTYAO-WGOQTCKBSA-N 0 0 541.445 7.386 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902317 1070182670 /nfs/dbraw/zinc/18/26/70/1070182670.db2.gz MXXFPSZZJMGEKP-RGVLZGJSSA-N 0 0 515.824 7.431 40 10 KKCBRN Cc1cccc(COc2c(I)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)c1 ZINC000408902506 1070183416 /nfs/dbraw/zinc/18/34/16/1070183416.db2.gz OSNJALXFPRKZRQ-FYJGNVAPSA-N 0 0 669.347 7.189 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1Cl ZINC000408902465 1070183450 /nfs/dbraw/zinc/18/34/50/1070183450.db2.gz OCPKFWOWPQXPQT-UDWIEESQSA-N 0 0 511.803 6.496 40 10 KKCBRN COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902339 1070183500 /nfs/dbraw/zinc/18/35/00/1070183500.db2.gz NCRLSIVIKZBZAR-NTEUORMPSA-N 0 0 579.222 5.310 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408902971 1070185013 /nfs/dbraw/zinc/18/50/13/1070185013.db2.gz SWCDBSIMHKBSCN-RGVLZGJSSA-N 0 0 560.673 7.250 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408903477 1070187118 /nfs/dbraw/zinc/18/71/18/1070187118.db2.gz YKMOIVWBIHFTBH-FYJGNVAPSA-N 0 0 638.346 7.047 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000408924874 1070243599 /nfs/dbraw/zinc/24/35/99/1070243599.db2.gz RNZMLBQZJNPKIY-HTNWYMAZSA-N 0 0 633.839 6.983 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408927901 1070248663 /nfs/dbraw/zinc/24/86/63/1070248663.db2.gz YDPUGVHKNRKKFE-XNENXQGPSA-N 0 0 603.744 5.660 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408928869 1070253797 /nfs/dbraw/zinc/25/37/97/1070253797.db2.gz FNOUCLPWUOLAQW-UFFVCSGVSA-N 0 0 563.677 6.365 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1C ZINC000408929066 1070254317 /nfs/dbraw/zinc/25/43/17/1070254317.db2.gz PVYBIIRUGIXJRL-LPYMAVHISA-N 0 0 522.399 5.045 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408929886 1070257971 /nfs/dbraw/zinc/25/79/71/1070257971.db2.gz PHVOCJORIMZKOB-BUVRLJJBSA-N 0 0 506.444 6.247 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1 ZINC000408939191 1070282042 /nfs/dbraw/zinc/28/20/42/1070282042.db2.gz LVEFAWGWMJRYGV-HYARGMPZSA-N 0 0 505.368 5.479 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000408943937 1070305789 /nfs/dbraw/zinc/30/57/89/1070305789.db2.gz STEDUOXDKYGZFJ-CIAFOILYSA-N 0 0 586.813 5.974 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3)C2=O)cc1Br ZINC000408985323 1070345816 /nfs/dbraw/zinc/34/58/16/1070345816.db2.gz LJRXJNOCLGDZSR-XMHGGMMESA-N 0 0 572.240 6.924 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408985553 1070346359 /nfs/dbraw/zinc/34/63/59/1070346359.db2.gz NKOQBOFITKUSHE-QTTRZTASSA-N 0 0 546.092 5.168 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408986122 1070347748 /nfs/dbraw/zinc/34/77/48/1070347748.db2.gz LRFCJYLQQIRXHE-GRPHBVMCSA-N 0 0 573.718 5.652 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Br)c(C)c4)C3=O)o2)cc1 ZINC000408987316 1070349419 /nfs/dbraw/zinc/34/94/19/1070349419.db2.gz WGIQRWBRSLFOSK-HAVVHWLPSA-N 0 0 540.413 7.275 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408987338 1070349501 /nfs/dbraw/zinc/34/95/01/1070349501.db2.gz OCJSURBMKDWCAU-IMMOAUGXSA-N 0 0 647.797 6.280 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408987667 1070350635 /nfs/dbraw/zinc/35/06/35/1070350635.db2.gz GGDWSEWLADJXCN-UHFFFAOYSA-N 0 0 613.519 6.309 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3C)C2=O)cc1Br ZINC000408987868 1070350878 /nfs/dbraw/zinc/35/08/78/1070350878.db2.gz ZIWSWUOBXUWQMV-PXLXIMEGSA-N 0 0 518.407 6.414 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408999493 1070374626 /nfs/dbraw/zinc/37/46/26/1070374626.db2.gz LJUDVQWZRWJDJJ-XSFVSMFZSA-N 0 0 504.995 6.415 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408998446 1070373050 /nfs/dbraw/zinc/37/30/50/1070373050.db2.gz ULSGTPMYDRRIAS-BXTSTYNKSA-N 0 0 520.676 5.817 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409004935 1070380659 /nfs/dbraw/zinc/38/06/59/1070380659.db2.gz CJIRQKBJMRKNNK-WQRHYEAKSA-N 0 0 543.423 5.629 40 10 KKCBRN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409007117 1070383197 /nfs/dbraw/zinc/38/31/97/1070383197.db2.gz NXPNNZABCGDGAN-YVLHZVERSA-N 0 0 540.277 5.267 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409009070 1070386184 /nfs/dbraw/zinc/38/61/84/1070386184.db2.gz UEZCXQHNPDFMKK-FYJGNVAPSA-N 0 0 568.413 5.027 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009254 1070386704 /nfs/dbraw/zinc/38/67/04/1070386704.db2.gz CLFIWUBDHBGMAK-LPYMAVHISA-N 0 0 561.443 5.251 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409009104 1070386777 /nfs/dbraw/zinc/38/67/77/1070386777.db2.gz BJOYUNIRCWBVKE-PCLIKHOPSA-N 0 0 514.050 6.215 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409016124 1070396073 /nfs/dbraw/zinc/39/60/73/1070396073.db2.gz UQGWQUIZERGRJI-QQXSKIMKSA-N 0 0 549.465 6.523 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409018759 1070395988 /nfs/dbraw/zinc/39/59/88/1070395988.db2.gz UEOJJMONLHLAJT-JLPGSUDCSA-N 0 0 548.433 6.304 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015394 1070395157 /nfs/dbraw/zinc/39/51/57/1070395157.db2.gz RXGHYSNZDNPMLM-MKFKGKHESA-N 0 0 625.143 5.484 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015392 1070395313 /nfs/dbraw/zinc/39/53/13/1070395313.db2.gz MTVWUXQZJOVZSF-RDRPBHBLSA-N 0 0 637.541 6.855 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409016367 1070396614 /nfs/dbraw/zinc/39/66/14/1070396614.db2.gz HOIALWAVHLSKTD-UCQKPKSFSA-N 0 0 503.982 6.113 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409016792 1070397066 /nfs/dbraw/zinc/39/70/66/1070397066.db2.gz VTFDJZOWXSVJSI-LPYMAVHISA-N 0 0 591.867 5.051 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409020762 1070397763 /nfs/dbraw/zinc/39/77/63/1070397763.db2.gz SXVHHZDSYHPLMD-QFEZKATASA-N 0 0 519.439 6.038 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409022023 1070399029 /nfs/dbraw/zinc/39/90/29/1070399029.db2.gz HXLSPAZYQXSRRJ-YUEMOGKHSA-N 0 0 662.812 5.426 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024865 1070408186 /nfs/dbraw/zinc/40/81/86/1070408186.db2.gz YMCKTQSHQUMWPR-DDIUQFJASA-N 0 0 677.665 5.823 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2OC)cc1 ZINC000409031589 1070416631 /nfs/dbraw/zinc/41/66/31/1070416631.db2.gz HNOMCFWTKVSFLO-WQRHYEAKSA-N 0 0 560.475 5.953 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000409030097 1070412479 /nfs/dbraw/zinc/41/24/79/1070412479.db2.gz DNCMHUXLHNPGNX-ZDGAQAAHSA-N 0 0 618.981 5.069 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409033309 1070422397 /nfs/dbraw/zinc/42/23/97/1070422397.db2.gz KYQDSIDVKXZDHS-JJFYIABZSA-N 0 0 520.514 6.592 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409033403 1070423121 /nfs/dbraw/zinc/42/31/21/1070423121.db2.gz LEZBJQDOFOZEET-VIZOYTHASA-N 0 0 612.305 6.447 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409040680 1070428348 /nfs/dbraw/zinc/42/83/48/1070428348.db2.gz HNASZQUROTXCQH-KEBDBYFISA-N 0 0 506.216 7.685 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409033960 1070425178 /nfs/dbraw/zinc/42/51/78/1070425178.db2.gz MMKSPMSKTVWWDF-OVCLIPMQSA-N 0 0 555.272 6.669 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OC(C)=O ZINC000409036217 1070436400 /nfs/dbraw/zinc/43/64/00/1070436400.db2.gz ATSZATQVFVDIEU-WZUFQYTHSA-N 0 0 533.247 5.275 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409036439 1070436933 /nfs/dbraw/zinc/43/69/33/1070436933.db2.gz RHJBVRKLOKILMQ-MKMNVTDBSA-N 0 0 653.172 7.679 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409037303 1070439815 /nfs/dbraw/zinc/43/98/15/1070439815.db2.gz MVEFKUFKTOYTHK-ZDLGFXPLSA-N 0 0 515.869 6.845 40 10 KKCBRN COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409040947 1070443833 /nfs/dbraw/zinc/44/38/33/1070443833.db2.gz ZEHKRUUJTSNXMU-FPYGCLRLSA-N 0 0 587.080 5.564 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc2n1Cc1ccc(Cl)cc1 ZINC000409043692 1070449585 /nfs/dbraw/zinc/44/95/85/1070449585.db2.gz ZBWPCMIZRNPXRG-BUVRLJJBSA-N 0 0 507.943 7.308 40 10 KKCBRN CC(C)COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409044964 1070453118 /nfs/dbraw/zinc/45/31/18/1070453118.db2.gz DXKAOXYSKREMPA-UHFFFAOYSA-N 0 0 598.291 6.830 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409045312 1070453717 /nfs/dbraw/zinc/45/37/17/1070453717.db2.gz GFBJLRZLPVLZAG-FYJGNVAPSA-N 0 0 590.293 6.094 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409047984 1070460188 /nfs/dbraw/zinc/46/01/88/1070460188.db2.gz VKXHKZVHIUYBFY-WTKPLQERSA-N 0 0 540.080 5.722 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)SC2=S)cc1 ZINC000409050873 1070465995 /nfs/dbraw/zinc/46/59/95/1070465995.db2.gz BSPUJJXMMPGMBA-UUYOSTAYSA-N 0 0 728.371 7.093 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409048378 1070461667 /nfs/dbraw/zinc/46/16/67/1070461667.db2.gz OJCGQKJDILWJMT-ONNFQVAWSA-N 0 0 659.143 5.497 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409051652 1070466635 /nfs/dbraw/zinc/46/66/35/1070466635.db2.gz BFLLIBHNVPNTBW-KUSDHMTMSA-N 0 0 614.167 5.506 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409060323 1070473667 /nfs/dbraw/zinc/47/36/67/1070473667.db2.gz PUBMALPADJKJFR-JCMHNJIXSA-N 0 0 523.402 6.263 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409055801 1070476928 /nfs/dbraw/zinc/47/69/28/1070476928.db2.gz DZGQROROMYNHBV-UCQKPKSFSA-N 0 0 504.970 5.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409077503 1070493152 /nfs/dbraw/zinc/49/31/52/1070493152.db2.gz FTJHVHIRUKRUSV-AIRTYWKNSA-N 0 0 534.497 5.807 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079370 1070515139 /nfs/dbraw/zinc/51/51/39/1070515139.db2.gz AYVCUMNDGWAUJP-DZGUVLCISA-N 0 0 708.337 5.763 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409079269 1070515163 /nfs/dbraw/zinc/51/51/63/1070515163.db2.gz ALFSQCPZPKPQGH-NBZOHKLQSA-N 0 0 650.387 6.956 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089396 1070523503 /nfs/dbraw/zinc/52/35/03/1070523503.db2.gz MGXFJMYTEMLBFH-YBFXNURJSA-N 0 0 522.901 6.154 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409091785 1070527443 /nfs/dbraw/zinc/52/74/43/1070527443.db2.gz UQPUBXYKAYZNTI-FUAQWRKOSA-N 0 0 618.803 5.981 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409123704 1070543325 /nfs/dbraw/zinc/54/33/25/1070543325.db2.gz HNIVHDLHZLEONS-OGLMXYFKSA-N 0 0 579.560 8.052 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S1)c1ccccc1 ZINC000409132135 1070550818 /nfs/dbraw/zinc/55/08/18/1070550818.db2.gz NGWADNRVOUKIFR-NHDPSOOVSA-N 0 0 517.821 6.626 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)SC1=S ZINC000409127660 1070554901 /nfs/dbraw/zinc/55/49/01/1070554901.db2.gz FGQNBZJPAIPWHX-ODLFYWEKSA-N 0 0 506.491 5.028 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC1=S ZINC000409130471 1070557308 /nfs/dbraw/zinc/55/73/08/1070557308.db2.gz HQHCZISXWGSSHO-JJFYIABZSA-N 0 0 533.488 6.479 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409130810 1070557840 /nfs/dbraw/zinc/55/78/40/1070557840.db2.gz WLAPZNKNWSLTQY-NHDPSOOVSA-N 0 0 501.833 7.059 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409137464 1070561851 /nfs/dbraw/zinc/56/18/51/1070561851.db2.gz VIGIOOMHVITVNM-NHDPSOOVSA-N 0 0 512.498 6.270 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409138907 1070562849 /nfs/dbraw/zinc/56/28/49/1070562849.db2.gz JOTKWLFMKQOFPY-MXAYSNPKSA-N 0 0 567.530 7.094 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166729 1070584856 /nfs/dbraw/zinc/58/48/56/1070584856.db2.gz FSMOQXSXTKPDKV-KCYKTTMJSA-N 0 0 628.163 9.072 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409175167 1070590467 /nfs/dbraw/zinc/59/04/67/1070590467.db2.gz QYPZYMSSAOSPRH-DPOKWSEZSA-N 0 0 571.855 7.433 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409177521 1070592534 /nfs/dbraw/zinc/59/25/34/1070592534.db2.gz GNOFERJNIUYUCC-LZYBPNLTSA-N 0 0 549.814 5.897 40 10 KKCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409180208 1070597399 /nfs/dbraw/zinc/59/73/99/1070597399.db2.gz UVRHIXUDQGJNEI-LQKURTRISA-N 0 0 631.711 5.696 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181435 1070599079 /nfs/dbraw/zinc/59/90/79/1070599079.db2.gz AAOKSPSULGSEET-GBHGQGFISA-N 0 0 688.249 8.312 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409184362 1070603939 /nfs/dbraw/zinc/60/39/39/1070603939.db2.gz WLWLDAKPNQWUHK-ZVBGSRNCSA-N 0 0 524.853 7.771 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409184294 1070604052 /nfs/dbraw/zinc/60/40/52/1070604052.db2.gz WYSGXWBHNACPHW-FOKLQQMPSA-N 0 0 568.906 8.169 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184582 1070604074 /nfs/dbraw/zinc/60/40/74/1070604074.db2.gz YGWLFCJQAJCUTH-DKDMBQFYSA-N 0 0 780.716 8.569 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184940 1070604758 /nfs/dbraw/zinc/60/47/58/1070604758.db2.gz IPVXEXFYFWFZOM-KRJBTMGSSA-N 0 0 846.041 9.837 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182887 1070600806 /nfs/dbraw/zinc/60/08/06/1070600806.db2.gz PFBHXSOBMBGBHK-WMGYHRCKSA-N 0 0 811.154 8.803 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183319 1070601846 /nfs/dbraw/zinc/60/18/46/1070601846.db2.gz BHBKEDNXECNZDR-RNYSJYKOSA-N 0 0 733.290 7.927 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183546 1070602409 /nfs/dbraw/zinc/60/24/09/1070602409.db2.gz BTFZPMOGJHAPNC-ZHEDSGRCSA-N 0 0 721.839 7.991 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186067 1070606179 /nfs/dbraw/zinc/60/61/79/1070606179.db2.gz WEEQPBYOGOGXFT-OUNWOMCFSA-N 0 0 600.744 6.572 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186236 1070606817 /nfs/dbraw/zinc/60/68/17/1070606817.db2.gz ZGNKPXCFAZUGKA-LVNAQTPMSA-N 0 0 717.629 7.083 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1 ZINC000409193884 1070612040 /nfs/dbraw/zinc/61/20/40/1070612040.db2.gz GXMALSRKUDZQFU-LPYMAVHISA-N 0 0 539.476 6.181 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)c(C)c1 ZINC000409197237 1070618101 /nfs/dbraw/zinc/61/81/01/1070618101.db2.gz ZNRQMGPEJZLFCD-STBIYBPSSA-N 0 0 504.680 7.865 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409198542 1070619353 /nfs/dbraw/zinc/61/93/53/1070619353.db2.gz HRUMJQFHZBZNPV-LZYBPNLTSA-N 0 0 543.258 5.169 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409198349 1070619366 /nfs/dbraw/zinc/61/93/66/1070619366.db2.gz DJMLKZNJLNESOE-CIAFOILYSA-N 0 0 533.900 6.637 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409206878 1070622251 /nfs/dbraw/zinc/62/22/51/1070622251.db2.gz MUMFEKLMCGAHLF-KEBDBYFISA-N 0 0 674.661 8.612 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1O ZINC000409207762 1070623665 /nfs/dbraw/zinc/62/36/65/1070623665.db2.gz ZNFSVHDGHJGSKT-VGOFMYFVSA-N 0 0 548.221 5.174 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409205089 1070631125 /nfs/dbraw/zinc/63/11/25/1070631125.db2.gz LGXQZHUAXCXPMO-PXNMLYILSA-N 0 0 620.284 5.020 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225804 1070643769 /nfs/dbraw/zinc/64/37/69/1070643769.db2.gz LIIJTVCHTLJNOU-MXAYSNPKSA-N 0 0 583.087 5.886 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409221228 1070648592 /nfs/dbraw/zinc/64/85/92/1070648592.db2.gz MYJGWYZYNXSBJO-VROXFSQNSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409228456 1070646381 /nfs/dbraw/zinc/64/63/81/1070646381.db2.gz YXZAIUUYQGAUBP-LIQPLZLLSA-N 0 0 553.489 5.400 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)SC1=S ZINC000409224011 1070651101 /nfs/dbraw/zinc/65/11/01/1070651101.db2.gz HBAZEEDYDVZPGB-BKUYFWCQSA-N 0 0 577.566 6.402 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409236435 1070652600 /nfs/dbraw/zinc/65/26/00/1070652600.db2.gz GEFFGXGNCAKHHX-GEWRUKCFSA-N 0 0 577.049 7.339 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409238242 1070654149 /nfs/dbraw/zinc/65/41/49/1070654149.db2.gz MEGFXWDOCUZCKG-ZDLGFXPLSA-N 0 0 582.485 5.074 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409234419 1070660680 /nfs/dbraw/zinc/66/06/80/1070660680.db2.gz WLZRJLKJSLSUPP-GMPVXANTSA-N 0 0 573.523 6.982 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)c(OC)c3)SC2=S)cc1 ZINC000409235544 1070661442 /nfs/dbraw/zinc/66/14/42/1070661442.db2.gz BYYDDLKFGHSDEB-OYKKKHCWSA-N 0 0 555.077 6.089 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1C ZINC000409254329 1070672023 /nfs/dbraw/zinc/67/20/23/1070672023.db2.gz YVMPPWINTULBCE-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409242595 1070670621 /nfs/dbraw/zinc/67/06/21/1070670621.db2.gz RTJCBSXGDBXOEY-ZMFRSBBQSA-N 0 0 576.696 5.768 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409243566 1070671352 /nfs/dbraw/zinc/67/13/52/1070671352.db2.gz SOOKBDRZDDYWMR-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409256353 1070675462 /nfs/dbraw/zinc/67/54/62/1070675462.db2.gz OBKKPJBBZVNYGW-BKUYFWCQSA-N 0 0 529.014 5.911 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409256281 1070675518 /nfs/dbraw/zinc/67/55/18/1070675518.db2.gz KTBLDESMYNUJRZ-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409256061 1070675525 /nfs/dbraw/zinc/67/55/25/1070675525.db2.gz NRLSVTMEGUMLTG-BKUYFWCQSA-N 0 0 548.995 6.782 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1 ZINC000409257391 1070677742 /nfs/dbraw/zinc/67/77/42/1070677742.db2.gz SKUJZMQJUMALPQ-UCQKPKSFSA-N 0 0 527.042 6.465 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1 ZINC000409257944 1070678981 /nfs/dbraw/zinc/67/89/81/1070678981.db2.gz VADQHFIQFDZZIW-UUYOSTAYSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409252955 1070685365 /nfs/dbraw/zinc/68/53/65/1070685365.db2.gz VKEGSWHMABJOTD-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253685 1070686829 /nfs/dbraw/zinc/68/68/29/1070686829.db2.gz GKTCEUFOLKOXSO-SSDVNMTOSA-N 0 0 687.918 5.952 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409264207 1070687569 /nfs/dbraw/zinc/68/75/69/1070687569.db2.gz NTPZFUVXYIPADV-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409266197 1070690245 /nfs/dbraw/zinc/69/02/45/1070690245.db2.gz KDYKVMRXMHFGIR-IWIPYMOSSA-N 0 0 539.078 6.334 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409252147 1070683345 /nfs/dbraw/zinc/68/33/45/1070683345.db2.gz QVWHPVAPICZJCH-JCMHNJIXSA-N 0 0 549.114 5.556 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409252791 1070684431 /nfs/dbraw/zinc/68/44/31/1070684431.db2.gz DWEVFJCXXOKMES-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409267433 1070691751 /nfs/dbraw/zinc/69/17/51/1070691751.db2.gz VOYQIZSECDUMMU-JAIQZWGSSA-N 0 0 612.864 5.412 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409268566 1070693396 /nfs/dbraw/zinc/69/33/96/1070693396.db2.gz VXRNZBYAJGKXST-UGHLTKRUSA-N 0 0 546.714 6.682 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261440 1070697750 /nfs/dbraw/zinc/69/77/50/1070697750.db2.gz BWVBXBHZOPISPH-RIRGPFDCSA-N 0 0 546.714 6.682 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269684 1070704216 /nfs/dbraw/zinc/70/42/16/1070704216.db2.gz LPMQKEOHNOVJRH-UHFFFAOYSA-N 0 0 596.039 6.258 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(OCc2ccccc2)c1 ZINC000409276236 1070721351 /nfs/dbraw/zinc/72/13/51/1070721351.db2.gz ZCTMUTOETPWNOY-NDZAJKAJSA-N 0 0 565.695 6.940 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409276065 1070720851 /nfs/dbraw/zinc/72/08/51/1070720851.db2.gz XZLYBKBZBRZNFJ-JJFYIABZSA-N 0 0 529.496 5.940 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000408880142 1070789900 /nfs/dbraw/zinc/78/99/00/1070789900.db2.gz DOISLYYLLXLWNB-QQXSKIMKSA-N 0 0 533.466 6.741 40 10 KKCBRN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408880183 1070790037 /nfs/dbraw/zinc/79/00/37/1070790037.db2.gz DVHNYOJQUGCEIJ-UHFFFAOYSA-N 0 0 554.671 7.476 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408879227 1070795515 /nfs/dbraw/zinc/79/55/15/1070795515.db2.gz BKBSDARYAIAZGZ-UHFFFAOYSA-N 0 0 619.142 8.138 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408890866 1070821895 /nfs/dbraw/zinc/82/18/95/1070821895.db2.gz HQQBTFQWZNWTMS-UHFFFAOYSA-N 0 0 573.026 6.000 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)SC2=S)cc1 ZINC000409327917 1070828187 /nfs/dbraw/zinc/82/81/87/1070828187.db2.gz NNSLILDJZDMJCB-LDADJPATSA-N 0 0 541.432 5.503 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1Cl ZINC000409326899 1070826730 /nfs/dbraw/zinc/82/67/30/1070826730.db2.gz GFCQMLVBDZFJPL-JJFYIABZSA-N 0 0 591.892 7.004 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1 ZINC000409326885 1070827119 /nfs/dbraw/zinc/82/71/19/1070827119.db2.gz FYJRCIBAHYRGBS-YBFXNURJSA-N 0 0 560.407 5.172 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000409328680 1070830356 /nfs/dbraw/zinc/83/03/56/1070830356.db2.gz ZTVIUEOSZPCGPF-HYARGMPZSA-N 0 0 576.921 7.725 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409329397 1070831422 /nfs/dbraw/zinc/83/14/22/1070831422.db2.gz FOSGUTPXZQKUFO-LZYBPNLTSA-N 0 0 513.380 5.249 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000409329622 1070831997 /nfs/dbraw/zinc/83/19/97/1070831997.db2.gz GLBBCKRUKRQDLW-DEDYPNTBSA-N 0 0 553.487 6.501 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000409330654 1070834274 /nfs/dbraw/zinc/83/42/74/1070834274.db2.gz LLZGOFIIXQJXCJ-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409331558 1070835467 /nfs/dbraw/zinc/83/54/67/1070835467.db2.gz ONBVCQUUWCZADT-KEBDBYFISA-N 0 0 538.319 7.569 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409332796 1070837570 /nfs/dbraw/zinc/83/75/70/1070837570.db2.gz RVSZTLOTKOGYFJ-JJFYIABZSA-N 0 0 595.367 8.058 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409334208 1070840374 /nfs/dbraw/zinc/84/03/74/1070840374.db2.gz WFWPZPBZUHTTFM-JMIUGGIZSA-N 0 0 570.492 7.831 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409339512 1070844459 /nfs/dbraw/zinc/84/44/59/1070844459.db2.gz JIGBNAOMJNJVIZ-OEAKJJBVSA-N 0 0 573.477 6.593 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1Cl ZINC000409339540 1070845002 /nfs/dbraw/zinc/84/50/02/1070845002.db2.gz JXNHWJOWQGRJLQ-CAOOACKPSA-N 0 0 508.383 6.129 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339675 1070845073 /nfs/dbraw/zinc/84/50/73/1070845073.db2.gz KKWPKGUHFMIXFN-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409340051 1070845701 /nfs/dbraw/zinc/84/57/01/1070845701.db2.gz POLSNBGGSNKUTL-VGOFMYFVSA-N 0 0 562.692 5.420 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409341362 1070848097 /nfs/dbraw/zinc/84/80/97/1070848097.db2.gz BMKCRYABIRGNOC-RQZCQDPDSA-N 0 0 545.694 8.075 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409341404 1070848199 /nfs/dbraw/zinc/84/81/99/1070848199.db2.gz AKNDTPJDFGYYIK-QRVIBDJDSA-N 0 0 558.494 7.198 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409344552 1070852634 /nfs/dbraw/zinc/85/26/34/1070852634.db2.gz JTYICNQJLALZAK-IUXPMGMMSA-N 0 0 577.305 6.112 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409344876 1070853282 /nfs/dbraw/zinc/85/32/82/1070853282.db2.gz HWMCJLCIBYITCE-MYYYXRDXSA-N 0 0 533.030 7.386 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346907 1070863675 /nfs/dbraw/zinc/86/36/75/1070863675.db2.gz OXXFYRASIKRBBP-JMIUGGIZSA-N 0 0 724.210 8.187 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409338424 1070860885 /nfs/dbraw/zinc/86/08/85/1070860885.db2.gz JQIISFBGMWJOLK-GRSHGNNSSA-N 0 0 533.509 6.215 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409338557 1070861330 /nfs/dbraw/zinc/86/13/30/1070861330.db2.gz LZCOHBWSGXCQQG-SSDVNMTOSA-N 0 0 518.512 7.700 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000409338588 1070861464 /nfs/dbraw/zinc/86/14/64/1070861464.db2.gz MQDPZJQRRRSFPU-PDGQHHTCSA-N 0 0 503.026 5.639 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409339158 1070861865 /nfs/dbraw/zinc/86/18/65/1070861865.db2.gz SKMZLAKIXXZURQ-ONUIUJJFSA-N 0 0 538.735 6.760 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409339003 1070861917 /nfs/dbraw/zinc/86/19/17/1070861917.db2.gz DAXRWPLKWLQWRH-ZVHZXABRSA-N 0 0 543.035 8.076 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409346536 1070863297 /nfs/dbraw/zinc/86/32/97/1070863297.db2.gz LHRMLBGFXOGEAL-QFEZKATASA-N 0 0 580.663 6.003 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409346490 1070863325 /nfs/dbraw/zinc/86/33/25/1070863325.db2.gz LAICBIMMFUDADO-LSCVHKIXSA-N 0 0 514.850 5.924 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346628 1070863459 /nfs/dbraw/zinc/86/34/59/1070863459.db2.gz LSDVNYRYQJZFIO-WNFQYIGGSA-N 0 0 620.204 9.048 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409348281 1070865837 /nfs/dbraw/zinc/86/58/37/1070865837.db2.gz RXNNDEZVCSTTEF-KSEXSDGBSA-N 0 0 556.471 6.682 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC ZINC000409349061 1070866417 /nfs/dbraw/zinc/86/64/17/1070866417.db2.gz UHFIXIVLNPMFSY-YVLHZVERSA-N 0 0 509.403 5.561 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409350056 1070868255 /nfs/dbraw/zinc/86/82/55/1070868255.db2.gz WZTJUHNMKMUTJE-MTJSOVHGSA-N 0 0 523.548 6.018 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409350397 1070868333 /nfs/dbraw/zinc/86/83/33/1070868333.db2.gz YARYJAACCWXIOY-CAOOACKPSA-N 0 0 532.854 6.003 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409350834 1070869159 /nfs/dbraw/zinc/86/91/59/1070869159.db2.gz YUMVJNFLYSITSC-ZMOGYAJESA-N 0 0 543.928 8.364 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000409345251 1070875979 /nfs/dbraw/zinc/87/59/79/1070875979.db2.gz KKXZKJPLJQCQRT-MFKUBSTISA-N 0 0 550.474 7.726 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1C ZINC000409360302 1070888081 /nfs/dbraw/zinc/88/80/81/1070888081.db2.gz ZURRRAOHIKXUDX-OEAKJJBVSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409368502 1070892047 /nfs/dbraw/zinc/89/20/47/1070892047.db2.gz ZHZJXAUDRIHIAD-JJFYIABZSA-N 0 0 639.380 7.281 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408904939 1070899937 /nfs/dbraw/zinc/89/99/37/1070899937.db2.gz QTVLGOGPCFZFJJ-DEDYPNTBSA-N 0 0 516.222 7.141 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S ZINC000409369182 1070892630 /nfs/dbraw/zinc/89/26/30/1070892630.db2.gz GTYGLZAWEDFPDL-BOPFTXTBSA-N 0 0 522.460 6.676 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408906355 1070895204 /nfs/dbraw/zinc/89/52/04/1070895204.db2.gz IPDUAUPJYAXWEP-WSDLNYQXSA-N 0 0 622.383 5.737 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409372195 1070895482 /nfs/dbraw/zinc/89/54/82/1070895482.db2.gz YHBDJZPZYLEVLU-UDWIEESQSA-N 0 0 562.456 6.368 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S ZINC000409372963 1070895858 /nfs/dbraw/zinc/89/58/58/1070895858.db2.gz UDVDPAUKOQADKK-FBHDLOMBSA-N 0 0 627.344 7.412 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408906327 1070896099 /nfs/dbraw/zinc/89/60/99/1070896099.db2.gz IJULEDKVVKNRIX-ISAGNRBTSA-N 0 0 611.116 5.176 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000409373185 1070896224 /nfs/dbraw/zinc/89/62/24/1070896224.db2.gz SASTYTUUOOUBBU-RQZCQDPDSA-N 0 0 559.283 7.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409382088 1070899730 /nfs/dbraw/zinc/89/97/30/1070899730.db2.gz XSHKJEQBHZFCHQ-GRSHGNNSSA-N 0 0 539.448 5.226 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408906325 1070896498 /nfs/dbraw/zinc/89/64/98/1070896498.db2.gz IJULEDKVVKNRIX-GLYRRZRCSA-N 0 0 611.116 5.176 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(C)cc1 ZINC000408904690 1070900830 /nfs/dbraw/zinc/90/08/30/1070900830.db2.gz NDLCDMGCOILWBB-OEAKJJBVSA-N 0 0 505.412 6.541 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000409385798 1070901686 /nfs/dbraw/zinc/90/16/86/1070901686.db2.gz JGCKXLGYWDRCJH-MFOYZWKCSA-N 0 0 503.270 6.556 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408903434 1070903229 /nfs/dbraw/zinc/90/32/29/1070903229.db2.gz XTPSNTJOTJSZTQ-HYARGMPZSA-N 0 0 591.467 6.814 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)SC1=S ZINC000409377251 1070903981 /nfs/dbraw/zinc/90/39/81/1070903981.db2.gz GZIYBSSOZLPHIR-SXGWCWSVSA-N 0 0 594.721 6.507 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408903515 1070904166 /nfs/dbraw/zinc/90/41/66/1070904166.db2.gz YZLHXYAUUDXWDY-BUVRLJJBSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(C)c1 ZINC000408902938 1070908061 /nfs/dbraw/zinc/90/80/61/1070908061.db2.gz SMDHLTXROAPFKP-LPYMAVHISA-N 0 0 538.385 5.993 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408902747 1070909196 /nfs/dbraw/zinc/90/91/96/1070909196.db2.gz QWNVIRNZXNNABM-CVKSISIWSA-N 0 0 562.510 7.596 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000408902671 1070910541 /nfs/dbraw/zinc/91/05/41/1070910541.db2.gz PPTUZMONNYTQKA-PCLIKHOPSA-N 0 0 544.392 6.830 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408902675 1070910656 /nfs/dbraw/zinc/91/06/56/1070910656.db2.gz PRTSYXPUUSYACK-YDZHTSKRSA-N 0 0 526.477 6.751 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902459 1070911133 /nfs/dbraw/zinc/91/11/33/1070911133.db2.gz NZKBRQODDNLGIM-FYJGNVAPSA-N 0 0 563.869 6.929 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000408902247 1070911778 /nfs/dbraw/zinc/91/17/78/1070911778.db2.gz MLBAKYFMMZUKIQ-LPYMAVHISA-N 0 0 556.375 6.214 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408902500 1070911915 /nfs/dbraw/zinc/91/19/15/1070911915.db2.gz OQJYXMVVMCXEGC-LPYMAVHISA-N 0 0 555.475 5.881 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c3C)C2=O)o1 ZINC000409398700 1070912571 /nfs/dbraw/zinc/91/25/71/1070912571.db2.gz FYCBRPSDVRJPJQ-QRVIBDJDSA-N 0 0 624.528 6.286 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408902110 1070913160 /nfs/dbraw/zinc/91/31/60/1070913160.db2.gz KFONKUSWKFQHMN-FYJGNVAPSA-N 0 0 528.777 6.330 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408902220 1070914013 /nfs/dbraw/zinc/91/40/13/1070914013.db2.gz MDPYVJWIQNYOEZ-RGVLZGJSSA-N 0 0 638.218 6.420 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408902235 1070914591 /nfs/dbraw/zinc/91/45/91/1070914591.db2.gz MJIUYKXLJPIDGJ-RGVLZGJSSA-N 0 0 526.774 6.396 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000408901612 1070919768 /nfs/dbraw/zinc/91/97/68/1070919768.db2.gz GUINJCMOPRCHIS-OEAKJJBVSA-N 0 0 505.412 6.541 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408901831 1070916076 /nfs/dbraw/zinc/91/60/76/1070916076.db2.gz HPIZUOVMGQQDFL-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408901852 1070916081 /nfs/dbraw/zinc/91/60/81/1070916081.db2.gz HXIMXDKZNJOFJQ-HZHRSRAPSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(I)cc1 ZINC000408901491 1070921255 /nfs/dbraw/zinc/92/12/55/1070921255.db2.gz FYLFRYATRLBRIM-HZHRSRAPSA-N 0 0 538.385 6.075 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408901506 1070922063 /nfs/dbraw/zinc/92/20/63/1070922063.db2.gz GGMMNTSLVJMAGN-UDWIEESQSA-N 0 0 516.429 6.105 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408900953 1070925845 /nfs/dbraw/zinc/92/58/45/1070925845.db2.gz ANRDZIHMKCGMFQ-BUVRLJJBSA-N 0 0 611.380 8.350 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC ZINC000408901206 1070925898 /nfs/dbraw/zinc/92/58/98/1070925898.db2.gz CBNUZSZSLOKSRH-SFQUDFHCSA-N 0 0 511.406 5.494 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408900994 1070926645 /nfs/dbraw/zinc/92/66/45/1070926645.db2.gz BJJBPQSUHIOVOT-FYJGNVAPSA-N 0 0 546.895 7.096 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649242 1070935761 /nfs/dbraw/zinc/93/57/61/1070935761.db2.gz SNAYJMIOQCHMCE-FVXXUCQHSA-N 0 0 574.058 7.668 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3cccc([C@@H]4OC[C@@H](c5ccccc5F)C[C@H]4C(C)C)c3)CC2)cc1 ZINC000585291937 1071040425 /nfs/dbraw/zinc/04/04/25/1071040425.db2.gz HHAGSNLMKLBOLC-DYMXRVJRSA-N 0 0 546.683 6.079 40 10 KKCBRN CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286729 1071040513 /nfs/dbraw/zinc/04/05/13/1071040513.db2.gz UKCDRVWHWQKFAE-XIFFEERXSA-N 0 0 600.200 5.127 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408911519 1071061172 /nfs/dbraw/zinc/06/11/72/1071061172.db2.gz ZTXKHQGPEALOMV-UZWMFBFFSA-N 0 0 610.732 6.160 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408910508 1071068682 /nfs/dbraw/zinc/06/86/82/1071068682.db2.gz INQHPBRGCMWOAI-YSGLVZJUSA-N 0 0 603.744 5.742 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408921208 1071097626 /nfs/dbraw/zinc/09/76/26/1071097626.db2.gz MJKQXPSXTSAJIS-OBDCIHEFSA-N 0 0 652.600 5.759 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000408920166 1071109685 /nfs/dbraw/zinc/10/96/85/1071109685.db2.gz HXPDNODRSHZVIS-WWWKDLBZSA-N 0 0 579.125 5.935 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000408919880 1071114138 /nfs/dbraw/zinc/11/41/38/1071114138.db2.gz DSOQBGDSLSXXRW-FUFNRSNVSA-N 0 0 575.731 5.455 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1C ZINC000408931418 1071153147 /nfs/dbraw/zinc/15/31/47/1071153147.db2.gz LHVFBWLVOWEYBB-QRVIBDJDSA-N 0 0 521.570 5.003 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408930633 1071158875 /nfs/dbraw/zinc/15/88/75/1071158875.db2.gz ZVRCRTIVGCNHHB-ZMOGYAJESA-N 0 0 552.494 6.457 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408929443 1071170282 /nfs/dbraw/zinc/17/02/82/1071170282.db2.gz JOMNGGCIZQHUBX-ZMOGYAJESA-N 0 0 508.043 6.348 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408928920 1071178179 /nfs/dbraw/zinc/17/81/79/1071178179.db2.gz GAQQWEINWSAOSD-LQKURTRISA-N 0 0 574.450 6.668 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000408929084 1071176620 /nfs/dbraw/zinc/17/66/20/1071176620.db2.gz QNZZBOPPSFOUIE-MFKUBSTISA-N 0 0 531.634 5.563 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000208703012 1071213717 /nfs/dbraw/zinc/21/37/17/1071213717.db2.gz SWOVDUFWYKKJPZ-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000208694669 1071212322 /nfs/dbraw/zinc/21/23/22/1071212322.db2.gz QADDFBDKURQKQU-OYKKKHCWSA-N 0 0 629.370 8.489 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1 ZINC000208694079 1071212447 /nfs/dbraw/zinc/21/24/47/1071212447.db2.gz NBDUBIDCNGSYJR-MTJSOVHGSA-N 0 0 593.337 7.644 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408935933 1071218499 /nfs/dbraw/zinc/21/84/99/1071218499.db2.gz FFUPZNMONJFBLI-ZVHZXABRSA-N 0 0 502.998 6.376 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933543 1071240706 /nfs/dbraw/zinc/24/07/06/1071240706.db2.gz BGJWVNLPTDCQRU-ZFWDJNJRSA-N 0 0 626.960 5.240 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1OCC ZINC000408946505 1071268489 /nfs/dbraw/zinc/26/84/89/1071268489.db2.gz OYAVHWJBUZCFRD-OAJVPKOVSA-N 0 0 697.595 5.136 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408946024 1071274086 /nfs/dbraw/zinc/27/40/86/1071274086.db2.gz XYIOZFFSNNKDMW-FYJGNVAPSA-N 0 0 520.339 5.378 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944302 1071285273 /nfs/dbraw/zinc/28/52/73/1071285273.db2.gz UZFDPMJZCTXBOE-IVNSTHILSA-N 0 0 661.824 6.572 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6F)cc5)c4C)c(=O)n32)cc1OCC ZINC000408943832 1071290960 /nfs/dbraw/zinc/29/09/60/1071290960.db2.gz MIAMIVKQYFIBAC-IGCAUWKCSA-N 0 0 681.786 5.941 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n21 ZINC000408943222 1071293978 /nfs/dbraw/zinc/29/39/78/1071293978.db2.gz FIYMNHHCFPHXBX-BHFPBWTASA-N 0 0 760.492 6.278 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408941818 1071303518 /nfs/dbraw/zinc/30/35/18/1071303518.db2.gz PTQAINDRLOWKRM-LPYMAVHISA-N 0 0 509.389 6.413 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n21 ZINC000408941741 1071305861 /nfs/dbraw/zinc/30/58/61/1071305861.db2.gz CZAZSNDNHBNRSE-DQARITGZSA-N 0 0 665.566 5.274 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n21 ZINC000408940760 1071314883 /nfs/dbraw/zinc/31/48/83/1071314883.db2.gz CIAIKSBFXJKWJN-YRSDHNRQSA-N 0 0 699.465 6.128 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)c(Cl)c6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408939875 1071321409 /nfs/dbraw/zinc/32/14/09/1071321409.db2.gz IRYMUWYKMNOOHA-RJKZIEAOSA-N 0 0 732.686 7.109 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)c(Cl)c6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408939874 1071321497 /nfs/dbraw/zinc/32/14/97/1071321497.db2.gz IRYMUWYKMNOOHA-OPTIIHIUSA-N 0 0 732.686 7.109 40 10 KKCBRN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000263597890 1071323605 /nfs/dbraw/zinc/32/36/05/1071323605.db2.gz HHBUXHGNFGUEFR-KUTXFACISA-N 0 0 816.945 6.044 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6cccc(F)c6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408955339 1071385639 /nfs/dbraw/zinc/38/56/39/1071385639.db2.gz XZDXVRYJFVETBC-RVKRRNEASA-N 0 0 681.786 5.941 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000408966130 1071411672 /nfs/dbraw/zinc/41/16/72/1071411672.db2.gz KBUVWWIONKNRDS-COEJQBHMSA-N 0 0 577.706 6.636 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000408704477 1071439158 /nfs/dbraw/zinc/43/91/58/1071439158.db2.gz OAKQNVFJHDENRQ-MUUNZHRXSA-N 0 0 522.070 5.085 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n21 ZINC000408957515 1071445148 /nfs/dbraw/zinc/44/51/48/1071445148.db2.gz TWWQYVVIAVCYOZ-QVPVGFNESA-N 0 0 689.459 6.672 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969867 1071457485 /nfs/dbraw/zinc/45/74/85/1071457485.db2.gz VWDCXPJIJIUHRH-PDGQHHTCSA-N 0 0 525.741 7.574 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1Cl ZINC000408969629 1071458038 /nfs/dbraw/zinc/45/80/38/1071458038.db2.gz QZQKUEGLPKCOHJ-ZHZULCJRSA-N 0 0 500.904 6.666 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccccc5s4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408987237 1071481685 /nfs/dbraw/zinc/48/16/85/1071481685.db2.gz AXUNMEQWPZNDPN-HZHYMEEXSA-N 0 0 602.763 5.218 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1Br ZINC000408986222 1071491647 /nfs/dbraw/zinc/49/16/47/1071491647.db2.gz OTXJRVKLADMDOI-OQKWZONESA-N 0 0 502.452 7.617 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1Br ZINC000408986246 1071491669 /nfs/dbraw/zinc/49/16/69/1071491669.db2.gz OZJVBKWGFSJCBL-LGUFXXKBSA-N 0 0 522.442 7.986 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408986224 1071491738 /nfs/dbraw/zinc/49/17/38/1071491738.db2.gz OVOAZRDGQXOAQY-LDADJPATSA-N 0 0 525.786 6.881 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1Cl ZINC000408986450 1071490946 /nfs/dbraw/zinc/49/09/46/1071490946.db2.gz CJZURIBPOQSBDN-HHHXNRCGSA-N 0 0 548.112 5.999 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986184 1071493966 /nfs/dbraw/zinc/49/39/66/1071493966.db2.gz OJQOYQNBOCETMF-ADUBFANXSA-N 0 0 617.771 5.969 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Oc4ccc(OC)cc4)cc3)C2=O)cc1 ZINC000408985043 1071502562 /nfs/dbraw/zinc/50/25/62/1071502562.db2.gz KTQYRQWPBFDKRH-HIXSDJFHSA-N 0 0 524.016 8.011 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2O)SC(=S)N1c1ccccc1 ZINC000408718220 1071509711 /nfs/dbraw/zinc/50/97/11/1071509711.db2.gz CBYSEQYUJBHESF-NTUHNPAUSA-N 0 0 565.195 5.007 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726825 1071510720 /nfs/dbraw/zinc/51/07/20/1071510720.db2.gz VQPHWBARROHIQE-UHFFFAOYSA-N 0 0 607.688 6.938 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)c(C)c3)C2=O)cc1Br ZINC000408983271 1071520281 /nfs/dbraw/zinc/52/02/81/1071520281.db2.gz AESLPODPSZCWDJ-XSFVSMFZSA-N 0 0 586.267 7.232 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408724605 1071524131 /nfs/dbraw/zinc/52/41/31/1071524131.db2.gz CGIAPSRKUHLOFC-UHFFFAOYSA-N 0 0 583.109 7.293 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408724672 1071524589 /nfs/dbraw/zinc/52/45/89/1071524589.db2.gz AWPMXVWOOAXDNZ-RGFRMHDHSA-N 0 0 604.128 5.036 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000408724859 1071523018 /nfs/dbraw/zinc/52/30/18/1071523018.db2.gz BUJXASYIWPIOMG-JZLZROJJSA-N 0 0 530.509 7.140 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408978644 1071546794 /nfs/dbraw/zinc/54/67/94/1071546794.db2.gz AETNWODQLQGKET-KEPJHFNWSA-N 0 0 606.144 5.267 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408979743 1071543705 /nfs/dbraw/zinc/54/37/05/1071543705.db2.gz CSYFJJVUGCKGNX-JBDHCHCMSA-N 0 0 576.118 5.256 40 10 KKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc(Cl)c3)c(OCC)c1)N2 ZINC000408736461 1071556102 /nfs/dbraw/zinc/55/61/02/1071556102.db2.gz UQZHHGZRGKKQMT-UQARTHHBSA-N 0 0 504.026 7.321 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Br)cc2)N1 ZINC000408994707 1071556810 /nfs/dbraw/zinc/55/68/10/1071556810.db2.gz ZSRBSWQMRFIRGH-VWLOTQADSA-N 0 0 535.511 6.362 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994599 1071557953 /nfs/dbraw/zinc/55/79/53/1071557953.db2.gz ICUHVSKLHYFUQI-CLCZQPDDSA-N 0 0 558.647 6.827 40 10 KKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)N2 ZINC000408736053 1071558199 /nfs/dbraw/zinc/55/81/99/1071558199.db2.gz CGQYYJPHEJYLQI-UQARTHHBSA-N 0 0 504.026 7.321 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408993951 1071560944 /nfs/dbraw/zinc/56/09/44/1071560944.db2.gz DVHVVDTXGXOOOD-FUAQWRKOSA-N 0 0 727.668 7.071 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408994027 1071561642 /nfs/dbraw/zinc/56/16/42/1071561642.db2.gz YBZZBGXJKRFKHR-UHFFFAOYSA-N 0 0 594.689 6.430 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735055 1071563033 /nfs/dbraw/zinc/56/30/33/1071563033.db2.gz NEQBPXNHWFQHOE-UNDLXJOSSA-N 0 0 711.622 5.608 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408993891 1071563275 /nfs/dbraw/zinc/56/32/75/1071563275.db2.gz XVNNRPOMPHIVDC-UHFFFAOYSA-N 0 0 630.578 8.651 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1 ZINC000408993758 1071564289 /nfs/dbraw/zinc/56/42/89/1071564289.db2.gz FOJTXPCHGDORFH-LCQSEVKBSA-N 0 0 604.128 5.034 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993287 1071566505 /nfs/dbraw/zinc/56/65/05/1071566505.db2.gz WARPWMUPKRTKDJ-UHFFFAOYSA-N 0 0 691.633 8.353 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc([N+](=O)[O-])cc2)N1 ZINC000408992916 1071568232 /nfs/dbraw/zinc/56/82/32/1071568232.db2.gz UZEOKVOQIYQOQE-VWLOTQADSA-N 0 0 501.612 5.507 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733864 1071570946 /nfs/dbraw/zinc/57/09/46/1071570946.db2.gz BNGANRQHERACOU-JLKMOJGBSA-N 0 0 620.171 5.657 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408992300 1071574202 /nfs/dbraw/zinc/57/42/02/1071574202.db2.gz RLZVNKAGCFFJOL-UHFFFAOYSA-N 0 0 695.804 8.246 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408991989 1071576725 /nfs/dbraw/zinc/57/67/25/1071576725.db2.gz POKQLWWCYLAUKA-UHFFFAOYSA-N 0 0 589.742 7.961 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408991581 1071581180 /nfs/dbraw/zinc/58/11/80/1071581180.db2.gz QOWNROAHQDTGMP-UHFFFAOYSA-N 0 0 550.636 6.031 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000408991494 1071580181 /nfs/dbraw/zinc/58/01/81/1071580181.db2.gz XSCKLUZLSYEIPD-UQDCTOEPSA-N 0 0 560.119 5.556 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408990311 1071589743 /nfs/dbraw/zinc/58/97/43/1071589743.db2.gz KLFMHUCOQAAHGA-UHFFFAOYSA-N 0 0 539.682 6.808 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408989844 1071592973 /nfs/dbraw/zinc/59/29/73/1071592973.db2.gz UKCRRFMOVDTUAT-VEOKEAFVSA-N 0 0 688.633 6.667 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408989907 1071593962 /nfs/dbraw/zinc/59/39/62/1071593962.db2.gz JJNCKBOOLQVFCY-UHFFFAOYSA-N 0 0 661.769 6.704 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408728131 1071597402 /nfs/dbraw/zinc/59/74/02/1071597402.db2.gz VZLQPMYYZPZNSK-XKZIYDEJSA-N 0 0 512.996 6.242 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727914 1071598699 /nfs/dbraw/zinc/59/86/99/1071598699.db2.gz YWCLUNGDPGFXPG-HOGDLBODSA-N 0 0 646.596 6.674 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000408727762 1071599509 /nfs/dbraw/zinc/59/95/09/1071599509.db2.gz RXLSDCORYQTHJX-ZKEFIBFISA-N 0 0 512.572 7.275 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3c(OC)ccc5ccccc53)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408727737 1071599580 /nfs/dbraw/zinc/59/95/80/1071599580.db2.gz WLKGCFLJTAPDLL-NTNOMAAHSA-N 0 0 649.769 5.544 40 10 KKCBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)N(c6ccc(C)c(Cl)c6)C(=S)N(c6ccc(C)c(Cl)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408989111 1071599929 /nfs/dbraw/zinc/59/99/29/1071599929.db2.gz HABMNZNEFQAHQO-UHFFFAOYSA-N 0 0 824.793 10.588 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408988584 1071603664 /nfs/dbraw/zinc/60/36/64/1071603664.db2.gz DWSPZGOPCOKFCP-UHFFFAOYSA-N 0 0 539.682 6.808 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408988876 1071600556 /nfs/dbraw/zinc/60/05/56/1071600556.db2.gz SMTAALCDRKWZRM-QYIOYSLNSA-N 0 0 663.026 7.303 40 10 KKCBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5SC(=S)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408988772 1071602665 /nfs/dbraw/zinc/60/26/65/1071602665.db2.gz FVJXRSZPDIMIII-NHDPSOOVSA-N 0 0 564.695 6.405 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408988192 1071607229 /nfs/dbraw/zinc/60/72/29/1071607229.db2.gz RCQJTLFWGJHUMW-GOQPZEPVSA-N 0 0 603.744 5.660 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408988212 1071607781 /nfs/dbraw/zinc/60/77/81/1071607781.db2.gz RJTWBTARMREQOA-ZRYJBNJPSA-N 0 0 594.136 5.997 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)c(O)c1 ZINC000408738481 1071608878 /nfs/dbraw/zinc/60/88/78/1071608878.db2.gz ZCAYJPJGJXYSMC-SFQUDFHCSA-N 0 0 508.788 8.084 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000408738312 1071609180 /nfs/dbraw/zinc/60/91/80/1071609180.db2.gz UUDQJEBYIKIXHA-XMHGGMMESA-N 0 0 503.341 7.633 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738185 1071610388 /nfs/dbraw/zinc/61/03/88/1071610388.db2.gz IXXVNFQGGGRWEJ-YNMQQHPQSA-N 0 0 620.569 5.367 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738181 1071610395 /nfs/dbraw/zinc/61/03/95/1071610395.db2.gz IXXVNFQGGGRWEJ-ASZNLBCTSA-N 0 0 620.569 5.367 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000408738163 1071610465 /nfs/dbraw/zinc/61/04/65/1071610465.db2.gz RDTNPVLYIDHWGT-LDADJPATSA-N 0 0 527.234 9.032 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408744641 1071615430 /nfs/dbraw/zinc/61/54/30/1071615430.db2.gz ZDANDACQQPBTIA-RQZCQDPDSA-N 0 0 600.321 6.198 40 10 KKCBRN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)ccc1Cl ZINC000408737919 1071612075 /nfs/dbraw/zinc/61/20/75/1071612075.db2.gz KCKXPBVUHXFCKO-HMMYKYKNSA-N 0 0 526.932 6.766 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000408737564 1071613160 /nfs/dbraw/zinc/61/31/60/1071613160.db2.gz DIVIPEXUBWBBTH-CJLVFECKSA-N 0 0 530.407 7.901 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737325 1071614904 /nfs/dbraw/zinc/61/49/04/1071614904.db2.gz BTKGUKYCGVSOCK-JLKMOJGBSA-N 0 0 569.727 5.221 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408996739 1071616415 /nfs/dbraw/zinc/61/64/15/1071616415.db2.gz MWXPFGJPEWDCSU-XCQFLATRSA-N 0 0 652.172 5.783 40 10 KKCBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408743895 1071617271 /nfs/dbraw/zinc/61/72/71/1071617271.db2.gz VWRDUZBXSRJAGL-ACPRRRJJSA-N 0 0 673.838 9.575 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OCc1ccccc1Cl ZINC000408743424 1071618337 /nfs/dbraw/zinc/61/83/37/1071618337.db2.gz TXMDZFFSZKDHET-VCHYOVAHSA-N 0 0 623.668 7.276 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408996361 1071618515 /nfs/dbraw/zinc/61/85/15/1071618515.db2.gz HTMHWRJVARUQKW-KQWNVCNZSA-N 0 0 532.980 5.243 40 10 KKCBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/SC(NC(C)=O)=NC3=O)c2-c2ccccc2)cc1 ZINC000408742808 1071620557 /nfs/dbraw/zinc/62/05/57/1071620557.db2.gz PYQZBMMMQJLCDS-ZXVVBBHZSA-N 0 0 507.615 6.316 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409006596 1071625184 /nfs/dbraw/zinc/62/51/84/1071625184.db2.gz JPVIRMMKIOIUOI-ZJTZAHLKSA-N 0 0 610.563 5.911 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409006468 1071625666 /nfs/dbraw/zinc/62/56/66/1071625666.db2.gz JLNYTBDKIVFVQX-HZHRSRAPSA-N 0 0 626.516 6.454 40 10 KKCBRN CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740406 1071630759 /nfs/dbraw/zinc/63/07/59/1071630759.db2.gz BUCJUEJRDWMJJY-UHFFFAOYSA-N 0 0 629.716 8.793 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409003237 1071638053 /nfs/dbraw/zinc/63/80/53/1071638053.db2.gz YRVGCGRHNDTSJB-DWLKXISJSA-N 0 0 677.779 5.147 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409003083 1071638592 /nfs/dbraw/zinc/63/85/92/1071638592.db2.gz DCFNMFTWFHNXCN-YDZHTSKRSA-N 0 0 568.413 5.027 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409002057 1071642949 /nfs/dbraw/zinc/64/29/49/1071642949.db2.gz SEYJJRYCKAPDHD-RBXKPUFLSA-N 0 0 560.119 5.476 40 10 KKCBRN Cc1cccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1 ZINC000409000942 1071647023 /nfs/dbraw/zinc/64/70/23/1071647023.db2.gz OAIJDTHKVSRRRQ-GTWSWNCMSA-N 0 0 555.703 7.363 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409000135 1071651082 /nfs/dbraw/zinc/65/10/82/1071651082.db2.gz XFHWCCBIDIMLOE-QTTRZTASSA-N 0 0 590.543 5.277 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408754799 1071648839 /nfs/dbraw/zinc/64/88/39/1071648839.db2.gz IQPCQCUWNGKZMF-JOHYPREOSA-N 0 0 654.188 6.014 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999620 1071654688 /nfs/dbraw/zinc/65/46/88/1071654688.db2.gz RNTZKDYMAOCGCS-PHEPMGQCSA-N 0 0 677.870 8.134 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br ZINC000408999588 1071654694 /nfs/dbraw/zinc/65/46/94/1071654694.db2.gz LUBMSXMLRDPWIV-UHFFFAOYSA-N 0 0 540.417 6.440 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408999405 1071655322 /nfs/dbraw/zinc/65/53/22/1071655322.db2.gz CQRNGQCLNFLOOA-BDRDOBMZSA-N 0 0 538.644 5.943 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cc(C)cc(C)c4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408998918 1071656441 /nfs/dbraw/zinc/65/64/41/1071656441.db2.gz VIBOVXKQRHNUAI-AFOHCANTSA-N 0 0 590.749 5.629 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409016205 1071668877 /nfs/dbraw/zinc/66/88/77/1071668877.db2.gz DWPNDQOHNLAYKN-OTHIGLTOSA-N 0 0 667.231 6.071 40 10 KKCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015837 1071669815 /nfs/dbraw/zinc/66/98/15/1071669815.db2.gz BUXIFOLPCQYBTC-LPYMAVHISA-N 0 0 609.915 5.933 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409015764 1071670386 /nfs/dbraw/zinc/67/03/86/1071670386.db2.gz SCNHZSYTZZJMNE-QVWJKXSPSA-N 0 0 522.598 5.800 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409015543 1071670887 /nfs/dbraw/zinc/67/08/87/1071670887.db2.gz SKZJAIYBDNGLRJ-MTJSOVHGSA-N 0 0 515.824 6.932 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015072 1071673812 /nfs/dbraw/zinc/67/38/12/1071673812.db2.gz AFMWKFKQGLYABT-RDRPBHBLSA-N 0 0 716.039 7.907 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014504 1071676138 /nfs/dbraw/zinc/67/61/38/1071676138.db2.gz PWNSQCYWURVATJ-STBIYBPSSA-N 0 0 719.565 8.182 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013398 1071680398 /nfs/dbraw/zinc/68/03/98/1071680398.db2.gz UVCFHWADAUZZIP-ZCTHSVRISA-N 0 0 710.046 7.662 40 10 KKCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013234 1071680408 /nfs/dbraw/zinc/68/04/08/1071680408.db2.gz MOYSVJXAXVEVFF-MTDXEUNCSA-N 0 0 613.132 5.342 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011948 1071685642 /nfs/dbraw/zinc/68/56/42/1071685642.db2.gz PGCORTMLCNCOHP-MTDXEUNCSA-N 0 0 588.104 7.029 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409010052 1071693230 /nfs/dbraw/zinc/69/32/30/1071693230.db2.gz JIWRHCJJOFCHAM-FYJGNVAPSA-N 0 0 647.309 5.871 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009925 1071694084 /nfs/dbraw/zinc/69/40/84/1071694084.db2.gz ITGKEGJBVCLSMM-ZCTHSVRISA-N 0 0 631.150 6.818 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009668 1071695123 /nfs/dbraw/zinc/69/51/23/1071695123.db2.gz BDYCDGSDVYNOCE-UXHLAJHPSA-N 0 0 667.567 6.863 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408760199 1071697333 /nfs/dbraw/zinc/69/73/33/1071697333.db2.gz UICBEMYTNTWCLE-UDWIEESQSA-N 0 0 516.620 6.700 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Oc1nc(Cl)ncc1F ZINC000409008310 1071700306 /nfs/dbraw/zinc/70/03/06/1071700306.db2.gz VPTAXPPRCUJJFN-UHFFFAOYSA-N 0 0 544.926 5.653 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000408759688 1071700414 /nfs/dbraw/zinc/70/04/14/1071700414.db2.gz JQVQEGSQJYLEFB-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccccc1F ZINC000409008205 1071701375 /nfs/dbraw/zinc/70/13/75/1071701375.db2.gz WLAORAHXTNYYRD-WQRHYEAKSA-N 0 0 543.423 5.629 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409024828 1071710803 /nfs/dbraw/zinc/71/08/03/1071710803.db2.gz XJMINUHFTMSSAZ-HZHRSRAPSA-N 0 0 522.468 5.810 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409023531 1071715460 /nfs/dbraw/zinc/71/54/60/1071715460.db2.gz XZXBPCWGZFZWKM-KOEQRZSOSA-N 0 0 500.624 5.006 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409023867 1071713234 /nfs/dbraw/zinc/71/32/34/1071713234.db2.gz LGQKIQRXZJRWNS-OGMUYLFESA-N 0 0 593.152 6.243 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409022090 1071720514 /nfs/dbraw/zinc/72/05/14/1071720514.db2.gz DVSDDNUBRUGDNV-SRTOOPEESA-N 0 0 646.813 5.808 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000409022699 1071717135 /nfs/dbraw/zinc/71/71/35/1071717135.db2.gz PSMZBYSPEDKRJA-XTGQZIRNSA-N 0 0 602.760 5.409 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409022687 1071718531 /nfs/dbraw/zinc/71/85/31/1071718531.db2.gz PHTZMFVCRIJOIR-VMCUCKNMSA-N 0 0 617.775 5.356 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409020576 1071726632 /nfs/dbraw/zinc/72/66/32/1071726632.db2.gz QRJCASFJOSCAMC-HYARGMPZSA-N 0 0 582.440 5.417 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409021626 1071722653 /nfs/dbraw/zinc/72/26/53/1071722653.db2.gz QTRHTOXSHRWLSK-VWUPUJNNSA-N 0 0 675.763 5.167 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409021602 1071722761 /nfs/dbraw/zinc/72/27/61/1071722761.db2.gz PJAREGDJGWWFQN-ASUJOLEISA-N 0 0 627.763 5.090 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409021168 1071724018 /nfs/dbraw/zinc/72/40/18/1071724018.db2.gz YNLIKVUXIREQLY-HZHRSRAPSA-N 0 0 534.468 6.560 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020501 1071727039 /nfs/dbraw/zinc/72/70/39/1071727039.db2.gz PYLOHGVCCFUVQD-NDZAJKAJSA-N 0 0 696.019 7.354 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020765 1071725700 /nfs/dbraw/zinc/72/57/00/1071725700.db2.gz SYHWUWNWBVUIPM-ZCTHSVRISA-N 0 0 693.649 8.287 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409020396 1071726606 /nfs/dbraw/zinc/72/66/06/1071726606.db2.gz OVJXYFIENMUTGI-MFKUBSTISA-N 0 0 613.965 5.895 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409019700 1071729044 /nfs/dbraw/zinc/72/90/44/1071729044.db2.gz KFOYJRGZXGIJHM-RUMWWMSVSA-N 0 0 661.176 6.248 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409018375 1071732536 /nfs/dbraw/zinc/73/25/36/1071732536.db2.gz HEZIHRZIYRIKLC-ISAGNRBTSA-N 0 0 611.116 5.176 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409018949 1071730861 /nfs/dbraw/zinc/73/08/61/1071730861.db2.gz XPCYWHWTUIHIFF-PQRKSKNISA-N 0 0 564.736 5.651 40 10 KKCBRN Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408763787 1071730942 /nfs/dbraw/zinc/73/09/42/1071730942.db2.gz QVBBCVGEBNAERR-WGOQTCKBSA-N 0 0 631.508 6.891 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408763805 1071730968 /nfs/dbraw/zinc/73/09/68/1071730968.db2.gz UXJSXRZHSQGZQZ-VXLYETTFSA-N 0 0 618.253 5.913 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409018536 1071732081 /nfs/dbraw/zinc/73/20/81/1071732081.db2.gz WOKMHMQRTSSPAY-ZRBTUZGESA-N 0 0 673.835 6.562 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000409037024 1071737820 /nfs/dbraw/zinc/73/78/20/1071737820.db2.gz WZRKKRXMXNTFLE-AWNIVKPZSA-N 0 0 728.168 7.116 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409018130 1071733962 /nfs/dbraw/zinc/73/39/62/1071733962.db2.gz XOXGCEPRDKEKRO-OEAKJJBVSA-N 0 0 605.894 5.441 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OC ZINC000409037141 1071738664 /nfs/dbraw/zinc/73/86/64/1071738664.db2.gz NBBYIMPCIOJIDL-YHYXMXQVSA-N 0 0 505.237 5.358 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408770002 1071744714 /nfs/dbraw/zinc/74/47/14/1071744714.db2.gz RQKSJLFDXJPKDL-XDYZZPCYSA-N 0 0 612.582 7.042 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OC(C)C ZINC000409036076 1071746557 /nfs/dbraw/zinc/74/65/57/1071746557.db2.gz KIFXXPIRGVKXGN-SDQBBNPISA-N 0 0 580.291 5.979 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000409035337 1071752511 /nfs/dbraw/zinc/75/25/11/1071752511.db2.gz PPBPSWBFRZWTHH-ZTJHJZSNSA-N 0 0 687.031 6.550 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000409035709 1071748457 /nfs/dbraw/zinc/74/84/57/1071748457.db2.gz TYRFLWHRORFMLR-KEPJHFNWSA-N 0 0 608.135 5.787 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2Br)o1 ZINC000409035107 1071753061 /nfs/dbraw/zinc/75/30/61/1071753061.db2.gz PEMULZCKRDZGRD-JYRVWZFOSA-N 0 0 511.244 6.519 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409034395 1071759897 /nfs/dbraw/zinc/75/98/97/1071759897.db2.gz HABPQBVDMGAXBW-CHHVJCJISA-N 0 0 744.623 7.630 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033807 1071765136 /nfs/dbraw/zinc/76/51/36/1071765136.db2.gz GBWPZOPQMKPXPK-IMUCPKNRSA-N 0 0 599.753 5.310 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)S2)cc1 ZINC000408773895 1071765839 /nfs/dbraw/zinc/76/58/39/1071765839.db2.gz MWGUVDUVZZWTIF-PZSWEGRHSA-N 0 0 537.773 7.724 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000409033731 1071766822 /nfs/dbraw/zinc/76/68/22/1071766822.db2.gz PEYHYAZHYXHZBQ-CXUHLZMHSA-N 0 0 663.178 7.134 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408772384 1071773930 /nfs/dbraw/zinc/77/39/30/1071773930.db2.gz ORCHLOCMTQASNG-QQXSKIMKSA-N 0 0 531.008 5.933 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032942 1071774355 /nfs/dbraw/zinc/77/43/55/1071774355.db2.gz CXOKLEFTXBCFQM-KFOJKGMOSA-N 0 0 613.780 5.618 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409032380 1071780024 /nfs/dbraw/zinc/78/00/24/1071780024.db2.gz IUUZDDQPLZFYMG-LHHJGKSTSA-N 0 0 636.198 7.845 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408772101 1071776621 /nfs/dbraw/zinc/77/66/21/1071776621.db2.gz CUCZOZVQHKBCNO-JCMHNJIXSA-N 0 0 525.432 6.677 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)ccc1OCC(C)C ZINC000409032745 1071778098 /nfs/dbraw/zinc/77/80/98/1071778098.db2.gz NDCJAAGPFGSNNJ-QPEQYQDCSA-N 0 0 503.265 5.986 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1F ZINC000409032514 1071779199 /nfs/dbraw/zinc/77/91/99/1071779199.db2.gz CIGQTCDQRBDDPJ-OQLLNIDSSA-N 0 0 506.402 5.915 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000409031976 1071784089 /nfs/dbraw/zinc/78/40/89/1071784089.db2.gz BUSITZBOLXENDA-UQDCTOEPSA-N 0 0 642.616 5.204 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409031444 1071789628 /nfs/dbraw/zinc/78/96/28/1071789628.db2.gz ARSCEPXHHNZOEU-UWVJOHFNSA-N 0 0 608.350 7.043 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030943 1071793204 /nfs/dbraw/zinc/79/32/04/1071793204.db2.gz FULFPAQXOWSSIA-FJNIOPPGSA-N 0 0 711.622 5.606 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000408768457 1071800815 /nfs/dbraw/zinc/80/08/15/1071800815.db2.gz JKFNKKCSDSJZOD-GSTVVXAASA-N 0 0 606.589 6.797 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(C)c(Br)c1 ZINC000409030063 1071802162 /nfs/dbraw/zinc/80/21/62/1071802162.db2.gz BYZAYYDEJDLYJH-OQFOIZHKSA-N 0 0 524.081 6.022 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1 ZINC000409029409 1071807243 /nfs/dbraw/zinc/80/72/43/1071807243.db2.gz AOFPITNHGYNYBM-PXNMLYILSA-N 0 0 648.753 7.034 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)sc2=N1 ZINC000409029398 1071809397 /nfs/dbraw/zinc/80/93/97/1071809397.db2.gz ALHDNTJUTUUSOR-XNMXCUJWSA-N 0 0 621.734 5.924 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781839 1071814431 /nfs/dbraw/zinc/81/44/31/1071814431.db2.gz FEBINBBEOFXOJX-MWLSYYOVSA-N 0 0 584.539 6.823 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409038066 1071816928 /nfs/dbraw/zinc/81/69/28/1071816928.db2.gz DLFGSXBDPRISOW-CXUHLZMHSA-N 0 0 571.727 7.183 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1cccc(C)c1 ZINC000409037522 1071822836 /nfs/dbraw/zinc/82/28/36/1071822836.db2.gz NVWMREMWVIIOPU-LZYBPNLTSA-N 0 0 581.335 6.847 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409045907 1071835806 /nfs/dbraw/zinc/83/58/06/1071835806.db2.gz JRONYVWACMSFEY-NVNXTCNLSA-N 0 0 527.276 7.074 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409046484 1071833284 /nfs/dbraw/zinc/83/32/84/1071833284.db2.gz KVYRHXFDTGIEAK-RQZCQDPDSA-N 0 0 533.770 6.340 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1[N+](=O)[O-] ZINC000409045162 1071844164 /nfs/dbraw/zinc/84/41/64/1071844164.db2.gz HWBAGGXPTMPSBY-YHYXMXQVSA-N 0 0 534.235 5.648 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408786923 1071845965 /nfs/dbraw/zinc/84/59/65/1071845965.db2.gz XUAIPPGGDFQCLP-GNZKFENCSA-N 0 0 673.835 6.643 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C1=O ZINC000409044875 1071846606 /nfs/dbraw/zinc/84/66/06/1071846606.db2.gz DVVGUCJVUQYSEH-LPYMAVHISA-N 0 0 565.840 7.354 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408787013 1071847163 /nfs/dbraw/zinc/84/71/63/1071847163.db2.gz ZSYLOAYPCCJRGT-IWIPYMOSSA-N 0 0 539.857 6.777 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409043718 1071854948 /nfs/dbraw/zinc/85/49/48/1071854948.db2.gz ZHCQHTWMSLIQRA-GRSHGNNSSA-N 0 0 617.368 7.692 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408784592 1071862847 /nfs/dbraw/zinc/86/28/47/1071862847.db2.gz VLVJDGRRPNUNAA-VPBNWZFVSA-N 0 0 514.553 5.277 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409043497 1071858750 /nfs/dbraw/zinc/85/87/50/1071858750.db2.gz MQVGQVXIPQUPOL-OVCLIPMQSA-N 0 0 527.276 7.074 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408784747 1071861469 /nfs/dbraw/zinc/86/14/69/1071861469.db2.gz SJACCWKJEVTGOD-IWIPYMOSSA-N 0 0 652.050 8.424 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000409042529 1071870345 /nfs/dbraw/zinc/87/03/45/1071870345.db2.gz YENKVLHICQZXPA-ZDGAQAAHSA-N 0 0 663.432 5.178 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC(C)C ZINC000409041846 1071875774 /nfs/dbraw/zinc/87/57/74/1071875774.db2.gz KAEPSDXYNHMOHK-SDQBBNPISA-N 0 0 566.264 5.589 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)SC1=S ZINC000409041263 1071881215 /nfs/dbraw/zinc/88/12/15/1071881215.db2.gz UIZWGPYZNUESSP-GRSHGNNSSA-N 0 0 543.879 6.381 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000409041064 1071885133 /nfs/dbraw/zinc/88/51/33/1071885133.db2.gz YZHGBBZKCQHBSC-GIDUJCDVSA-N 0 0 625.344 6.657 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409040593 1071889135 /nfs/dbraw/zinc/88/91/35/1071889135.db2.gz SWOUPMAUOKHDOX-OCKHKDLRSA-N 0 0 561.350 7.201 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000408791492 1071889829 /nfs/dbraw/zinc/88/98/29/1071889829.db2.gz ZHAOWDOHGIKPBN-MRWVFDTMSA-N 0 0 657.552 6.470 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(F)cc1 ZINC000409040488 1071890860 /nfs/dbraw/zinc/89/08/60/1071890860.db2.gz YHAXGLKYUOSREL-VIZOYTHASA-N 0 0 585.298 6.677 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409039688 1071896298 /nfs/dbraw/zinc/89/62/98/1071896298.db2.gz RVUBWTCZBITTJM-WQRHYEAKSA-N 0 0 577.336 8.227 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000409039574 1071898121 /nfs/dbraw/zinc/89/81/21/1071898121.db2.gz WXPHQPUWARWZNG-MIUGUJGPSA-N 0 0 760.492 6.362 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000409038951 1071903089 /nfs/dbraw/zinc/90/30/89/1071903089.db2.gz GAFAAQAAWICKKX-UNOMPAQXSA-N 0 0 553.443 6.829 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409038526 1071907392 /nfs/dbraw/zinc/90/73/92/1071907392.db2.gz VXFZHJZFBDPVGJ-WUXMJOGZSA-N 0 0 624.300 5.133 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409038560 1071907958 /nfs/dbraw/zinc/90/79/58/1071907958.db2.gz PGRRFAZDTOUQOE-ZTJHJZSNSA-N 0 0 659.035 6.955 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409050711 1071910794 /nfs/dbraw/zinc/91/07/94/1071910794.db2.gz YUUKPZOMPBOJIM-OVCLIPMQSA-N 0 0 571.727 7.183 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409050589 1071911147 /nfs/dbraw/zinc/91/11/47/1071911147.db2.gz XKGKCCWTNDHVTI-UHFFFAOYSA-N 0 0 610.066 6.648 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409057046 1071911555 /nfs/dbraw/zinc/91/15/55/1071911555.db2.gz TUGGDDLKSQYEHZ-KSEXSDGBSA-N 0 0 525.432 6.595 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409057250 1071918183 /nfs/dbraw/zinc/91/81/83/1071918183.db2.gz VESHVYNUFYRUCV-JQMPELIHSA-N 0 0 593.749 5.325 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409053804 1071936633 /nfs/dbraw/zinc/93/66/33/1071936633.db2.gz PXWLCCOYKXALKO-QRVIBDJDSA-N 0 0 500.472 7.282 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409052391 1071946270 /nfs/dbraw/zinc/94/62/70/1071946270.db2.gz DMEBAYCLPCLXQU-BKUYFWCQSA-N 0 0 514.931 6.644 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)SC2=S)cc1 ZINC000409051559 1071951273 /nfs/dbraw/zinc/95/12/73/1071951273.db2.gz FAGLCYHDEOXZEX-KSEXSDGBSA-N 0 0 626.368 7.887 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409050037 1071959997 /nfs/dbraw/zinc/95/99/97/1071959997.db2.gz SEJLEUIWBCMOBV-CHHVJCJISA-N 0 0 634.168 7.431 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1cccc(F)c1 ZINC000409049235 1071966813 /nfs/dbraw/zinc/96/68/13/1071966813.db2.gz YKHYIFKVIAGVIS-VIZOYTHASA-N 0 0 585.298 6.677 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409048766 1071969325 /nfs/dbraw/zinc/96/93/25/1071969325.db2.gz XEAAADOLYMORSB-JAIQZWGSSA-N 0 0 540.932 6.937 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409047781 1071978292 /nfs/dbraw/zinc/97/82/92/1071978292.db2.gz PLCDVKMBEWJABR-WOJGMQOQSA-N 0 0 598.837 5.103 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409059144 1071983476 /nfs/dbraw/zinc/98/34/76/1071983476.db2.gz UHUIVEGALBQZLF-UHFFFAOYSA-N 0 0 588.403 7.064 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409058820 1071984919 /nfs/dbraw/zinc/98/49/19/1071984919.db2.gz TYPCJDZQBYRLSD-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409058298 1071988657 /nfs/dbraw/zinc/98/86/57/1071988657.db2.gz MENBNUXVRHOXKD-JLPGSUDCSA-N 0 0 519.439 6.432 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409057472 1071992415 /nfs/dbraw/zinc/99/24/15/1071992415.db2.gz QNTBAFBHEDZLFW-UOOXJCEYSA-N 0 0 570.114 5.189 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409066754 1072001727 /nfs/dbraw/zinc/00/17/27/1072001727.db2.gz NWUKYZSHRKUJSM-MAKCPWPFSA-N 0 0 508.571 5.410 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409066291 1072003693 /nfs/dbraw/zinc/00/36/93/1072003693.db2.gz KXLIYQUXCIHOMY-SDCZFJSOSA-N 0 0 525.026 5.924 40 10 KKCBRN COc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1Cl ZINC000409065834 1072006742 /nfs/dbraw/zinc/00/67/42/1072006742.db2.gz UOZZVISHONNJEK-UHFFFAOYSA-N 0 0 542.060 6.504 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409064464 1072014275 /nfs/dbraw/zinc/01/42/75/1072014275.db2.gz CMEPXCWUNFCSLX-MYYYXRDXSA-N 0 0 519.439 6.351 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409064927 1072011392 /nfs/dbraw/zinc/01/13/92/1072011392.db2.gz QZGBKSVYIQKABB-DDIUQFJASA-N 0 0 742.079 6.482 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409064210 1072016518 /nfs/dbraw/zinc/01/65/18/1072016518.db2.gz CDPLMPCNMWLURK-UHFFFAOYSA-N 0 0 680.476 5.651 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409062869 1072022616 /nfs/dbraw/zinc/02/26/16/1072022616.db2.gz CDHLSFXBTQWEPH-ZJTZAHLKSA-N 0 0 576.118 5.176 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409063531 1072021291 /nfs/dbraw/zinc/02/12/91/1072021291.db2.gz MGECPZMHVLTSND-FUFNRSNVSA-N 0 0 620.569 5.367 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409062563 1072023421 /nfs/dbraw/zinc/02/34/21/1072023421.db2.gz WTNMWCBZOJPVDQ-XTGQZIRNSA-N 0 0 591.777 5.968 40 10 KKCBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409062610 1072023496 /nfs/dbraw/zinc/02/34/96/1072023496.db2.gz XQVNXNPTJJDRAN-XKZIYDEJSA-N 0 0 558.885 5.658 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409062656 1072023947 /nfs/dbraw/zinc/02/39/47/1072023947.db2.gz YLLQCOWNRSFSAU-PVPFEYIBSA-N 0 0 584.141 5.498 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061401 1072028901 /nfs/dbraw/zinc/02/89/01/1072028901.db2.gz ZKGUOKIJXPXLCQ-MYYYXRDXSA-N 0 0 519.041 6.757 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000409062141 1072025728 /nfs/dbraw/zinc/02/57/28/1072025728.db2.gz OJTPIMKIFNEPHU-MYKKPKGFSA-N 0 0 511.405 6.287 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409061889 1072026838 /nfs/dbraw/zinc/02/68/38/1072026838.db2.gz JQBUPKVVLFJWGO-NJGZBDCRSA-N 0 0 584.141 5.579 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409061639 1072028284 /nfs/dbraw/zinc/02/82/84/1072028284.db2.gz YVQICLPHRZNNII-QQXSKIMKSA-N 0 0 519.041 5.980 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409060824 1072031844 /nfs/dbraw/zinc/03/18/44/1072031844.db2.gz WGRHQDPWFJOERG-QRVIBDJDSA-N 0 0 551.437 5.751 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076924 1072045339 /nfs/dbraw/zinc/04/53/39/1072045339.db2.gz CKLMPERUUKDQAM-IWIPYMOSSA-N 0 0 533.842 8.060 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409076812 1072047421 /nfs/dbraw/zinc/04/74/21/1072047421.db2.gz CJTZTYHZVAYVLA-UQQQWYQISA-N 0 0 563.462 6.904 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409076352 1072052375 /nfs/dbraw/zinc/05/23/75/1072052375.db2.gz AQGMZKYWXLTYNS-ITYLOYPMSA-N 0 0 617.521 6.758 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409076391 1072052823 /nfs/dbraw/zinc/05/28/23/1072052823.db2.gz AVRKYRNEPHLVIT-BCUAHEQISA-N 0 0 616.340 6.013 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C[C@H]1CCCO1 ZINC000409076247 1072054138 /nfs/dbraw/zinc/05/41/38/1072054138.db2.gz AASMKALXWLLCFQ-YMBPQHFPSA-N 0 0 559.334 6.715 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073662 1072072781 /nfs/dbraw/zinc/07/27/81/1072072781.db2.gz WTYZVXDVACZXJA-UHFFFAOYSA-N 0 0 728.948 6.694 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409072798 1072079385 /nfs/dbraw/zinc/07/93/85/1072079385.db2.gz DPKDOBVQQUVILZ-UHFFFAOYSA-N 0 0 603.450 5.800 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409072791 1072079450 /nfs/dbraw/zinc/07/94/50/1072079450.db2.gz SLOAXTGKDHRBGX-OXWVMCNISA-N 0 0 580.150 5.231 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070829 1072093180 /nfs/dbraw/zinc/09/31/80/1072093180.db2.gz ZNJFYCULPOFXRI-UHFFFAOYSA-N 0 0 681.948 6.852 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)S1 ZINC000409080804 1072118396 /nfs/dbraw/zinc/11/83/96/1072118396.db2.gz OHEYZQBANFWXIW-LZYBPNLTSA-N 0 0 528.197 5.036 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br ZINC000409080881 1072119258 /nfs/dbraw/zinc/11/92/58/1072119258.db2.gz OAHJSNYHSDKMHP-UYRXBGFRSA-N 0 0 526.228 6.445 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079889 1072129777 /nfs/dbraw/zinc/12/97/77/1072129777.db2.gz KAMUTWKLXWIXJK-VCHYOVAHSA-N 0 0 623.325 6.825 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079499 1072132243 /nfs/dbraw/zinc/13/22/43/1072132243.db2.gz BMJGNZKXGLVURN-GWRYVSOYSA-N 0 0 664.622 5.684 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079372 1072134072 /nfs/dbraw/zinc/13/40/72/1072134072.db2.gz AYVCUMNDGWAUJP-WSLMLHKMSA-N 0 0 708.337 5.763 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409079215 1072135881 /nfs/dbraw/zinc/13/58/81/1072135881.db2.gz IXOABMMAKIFQLS-CCVBWGSMSA-N 0 0 675.432 6.284 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409079076 1072137634 /nfs/dbraw/zinc/13/76/34/1072137634.db2.gz KBHKBWMSSRVKLL-ANQVYJHKSA-N 0 0 589.360 6.724 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409078405 1072145867 /nfs/dbraw/zinc/14/58/67/1072145867.db2.gz CJCYCHPLPYGAPT-BRPDVVIDSA-N 0 0 559.463 8.016 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077763 1072151564 /nfs/dbraw/zinc/15/15/64/1072151564.db2.gz GSGOVPWOZXWYRX-XYGWBWBKSA-N 0 0 533.842 8.060 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OC ZINC000409077595 1072152448 /nfs/dbraw/zinc/15/24/48/1072152448.db2.gz FKPHKPYZYLDOSB-ZHZULCJRSA-N 0 0 524.358 5.533 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409087105 1072158235 /nfs/dbraw/zinc/15/82/35/1072158235.db2.gz APOMVQMTWRJEJU-UHFFFAOYSA-N 0 0 649.566 7.938 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409077506 1072154820 /nfs/dbraw/zinc/15/48/20/1072154820.db2.gz FTJHVHIRUKRUSV-WQFTWXBESA-N 0 0 534.497 5.807 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409086428 1072166897 /nfs/dbraw/zinc/16/68/97/1072166897.db2.gz VNXDHESHFQJMKD-PKIWBCANSA-N 0 0 534.497 5.807 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)S1 ZINC000409086407 1072166947 /nfs/dbraw/zinc/16/69/47/1072166947.db2.gz ZMHJRGXMYPTIMP-KEBDBYFISA-N 0 0 560.267 6.050 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085865 1072173754 /nfs/dbraw/zinc/17/37/54/1072173754.db2.gz SVQUINCMCJFBTL-BWAHOGKJSA-N 0 0 543.848 7.516 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409085739 1072176034 /nfs/dbraw/zinc/17/60/34/1072176034.db2.gz ZUVRCMHJCXJYRL-YNXJNZEASA-N 0 0 703.030 6.168 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409084761 1072184787 /nfs/dbraw/zinc/18/47/87/1072184787.db2.gz MVVDVUANJSXQBE-XHPQRKPJSA-N 0 0 529.017 6.251 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409085036 1072181094 /nfs/dbraw/zinc/18/10/94/1072181094.db2.gz NPZNJEHKCBAFKY-UUMRFZBWSA-N 0 0 534.497 5.807 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409085060 1072181692 /nfs/dbraw/zinc/18/16/92/1072181692.db2.gz NQQHTMQHXYHPJH-ONUIUJJFSA-N 0 0 634.901 7.757 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084928 1072183286 /nfs/dbraw/zinc/18/32/86/1072183286.db2.gz YLKPNAQVXYVQNQ-UHFFFAOYSA-N 0 0 628.981 6.931 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084472 1072188038 /nfs/dbraw/zinc/18/80/38/1072188038.db2.gz XIJSSCAXGFYULX-DMOKECBHSA-N 0 0 514.883 6.606 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OC ZINC000409084242 1072192328 /nfs/dbraw/zinc/19/23/28/1072192328.db2.gz CCXXVIGXFAGAOS-CIAFOILYSA-N 0 0 620.465 6.106 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409083289 1072200617 /nfs/dbraw/zinc/20/06/17/1072200617.db2.gz SHIDXRBVRMPGNC-UQQQWYQISA-N 0 0 684.939 6.946 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083814 1072197047 /nfs/dbraw/zinc/19/70/47/1072197047.db2.gz OQJSOCAXNJQBMZ-LICLKQGHSA-N 0 0 592.280 5.540 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409083462 1072199727 /nfs/dbraw/zinc/19/97/27/1072199727.db2.gz VKWBTUAHYLYIPP-IMRQLAEWSA-N 0 0 523.032 7.461 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000409082056 1072216917 /nfs/dbraw/zinc/21/69/17/1072216917.db2.gz RIMUFZNMRINGSQ-MEMCVHFTSA-N 0 0 650.804 6.957 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081745 1072219810 /nfs/dbraw/zinc/21/98/10/1072219810.db2.gz HWPQYKVRNFDOOL-MBSKNMOHSA-N 0 0 722.658 5.471 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081741 1072219855 /nfs/dbraw/zinc/21/98/55/1072219855.db2.gz HWPQYKVRNFDOOL-JJHILCALSA-N 0 0 722.658 5.471 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409081591 1072221750 /nfs/dbraw/zinc/22/17/50/1072221750.db2.gz QFSUPCHDOZFXIW-IMRQLAEWSA-N 0 0 567.483 7.570 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409097089 1072230601 /nfs/dbraw/zinc/23/06/01/1072230601.db2.gz MLAVALNPYWAMFW-MZJWZYIUSA-N 0 0 688.427 9.132 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409097194 1072229713 /nfs/dbraw/zinc/22/97/13/1072229713.db2.gz MSKVTADYASENOT-YDZHTSKRSA-N 0 0 645.528 6.197 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1 ZINC000409095176 1072241605 /nfs/dbraw/zinc/24/16/05/1072241605.db2.gz HGXWDIHPGHDOPB-YDZHTSKRSA-N 0 0 554.466 5.930 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327023 1072243178 /nfs/dbraw/zinc/24/31/78/1072243178.db2.gz GQFOYLPOCYLHJQ-AWQFTUOYSA-N 0 0 692.651 8.751 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409094917 1072243278 /nfs/dbraw/zinc/24/32/78/1072243278.db2.gz AJZZERUKKGVWOE-GARKAJJMSA-N 0 0 639.778 5.164 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409094908 1072243357 /nfs/dbraw/zinc/24/33/57/1072243357.db2.gz AJBVQTQJEZXSON-GRPHBVMCSA-N 0 0 594.781 5.174 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409094905 1072243363 /nfs/dbraw/zinc/24/33/63/1072243363.db2.gz AJBVQTQJEZXSON-GARKAJJMSA-N 0 0 594.781 5.174 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC ZINC000409326704 1072244879 /nfs/dbraw/zinc/24/48/79/1072244879.db2.gz DNZJXRDDAXHDBP-ODLFYWEKSA-N 0 0 512.878 6.696 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409326643 1072246752 /nfs/dbraw/zinc/24/67/52/1072246752.db2.gz CXQXYTADMLZUFQ-XKZIYDEJSA-N 0 0 638.346 7.047 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409326412 1072247087 /nfs/dbraw/zinc/24/70/87/1072247087.db2.gz BLWGRKFLTVHAKQ-ROTLSHHCSA-N 0 0 631.563 7.171 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409092642 1072259863 /nfs/dbraw/zinc/25/98/63/1072259863.db2.gz XLSBJTQHZNMLFC-UQQQWYQISA-N 0 0 559.043 6.259 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC ZINC000409092712 1072260805 /nfs/dbraw/zinc/26/08/05/1072260805.db2.gz WGXGWKRGOLSCDN-JWGURIENSA-N 0 0 552.412 6.313 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc(F)c1 ZINC000409092153 1072265713 /nfs/dbraw/zinc/26/57/13/1072265713.db2.gz VTMFKMPBYYBBIX-XYGWBWBKSA-N 0 0 604.419 6.852 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409091788 1072267521 /nfs/dbraw/zinc/26/75/21/1072267521.db2.gz URXRACFNGOUHGE-XYGWBWBKSA-N 0 0 584.426 6.779 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409091264 1072273712 /nfs/dbraw/zinc/27/37/12/1072273712.db2.gz OZEVOKSBQCSMFW-UHFFFAOYSA-N 0 0 652.379 7.752 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409091014 1072277071 /nfs/dbraw/zinc/27/70/71/1072277071.db2.gz SFCBUHZXLWZDSE-OGLMXYFKSA-N 0 0 663.590 8.224 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090781 1072277346 /nfs/dbraw/zinc/27/73/46/1072277346.db2.gz ONTVHEAMOFFEOQ-QEEORQGDSA-N 0 0 678.649 5.992 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409090365 1072282182 /nfs/dbraw/zinc/28/21/82/1072282182.db2.gz MRQYBTZUAOBLBI-BCUAHEQISA-N 0 0 508.434 5.547 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409090187 1072282485 /nfs/dbraw/zinc/28/24/85/1072282485.db2.gz MCMYAMDSASCSLH-QNGOZBTKSA-N 0 0 538.385 5.923 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409090089 1072284524 /nfs/dbraw/zinc/28/45/24/1072284524.db2.gz QLELTMVKFCRILK-DWDWTKASSA-N 0 0 680.874 7.340 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409089826 1072287095 /nfs/dbraw/zinc/28/70/95/1072287095.db2.gz KJXHMIAQCSHQSJ-XNMXCUJWSA-N 0 0 682.640 6.644 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409088922 1072294522 /nfs/dbraw/zinc/29/45/22/1072294522.db2.gz HPWJDILAGKTOBT-ONUIUJJFSA-N 0 0 598.453 7.170 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409087644 1072307665 /nfs/dbraw/zinc/30/76/65/1072307665.db2.gz CSDLPNLQRAIYOK-RQZCQDPDSA-N 0 0 536.293 7.519 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)c1 ZINC000409101941 1072312255 /nfs/dbraw/zinc/31/22/55/1072312255.db2.gz BYWGEQZIUZFMIS-UDWIEESQSA-N 0 0 529.412 5.952 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409101956 1072312300 /nfs/dbraw/zinc/31/23/00/1072312300.db2.gz ZQPBJVPNHYDPKS-STBIYBPSSA-N 0 0 584.694 7.380 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 ZINC000409101614 1072313858 /nfs/dbraw/zinc/31/38/58/1072313858.db2.gz PUVOWTFHZANVLQ-UCQKPKSFSA-N 0 0 520.567 5.076 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409100313 1072321159 /nfs/dbraw/zinc/32/11/59/1072321159.db2.gz VCHCNCIWEBWGDC-JFLMPSFJSA-N 0 0 684.008 8.487 40 10 KKCBRN CC(C)Oc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409098553 1072330710 /nfs/dbraw/zinc/33/07/10/1072330710.db2.gz PFHUQQCEDWOLAO-OEAKJJBVSA-N 0 0 527.042 6.924 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409098511 1072330740 /nfs/dbraw/zinc/33/07/40/1072330740.db2.gz LVEMTKJLXOVMKM-BRJLIKDPSA-N 0 0 573.498 6.968 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CCc4ccc(OC)cc4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409335588 1072336777 /nfs/dbraw/zinc/33/67/77/1072336777.db2.gz KLSUQXXQGCTLCR-USHMODERSA-N 0 0 514.622 5.417 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409335655 1072337564 /nfs/dbraw/zinc/33/75/64/1072337564.db2.gz YBQVXRZAWKJYBQ-QRVIBDJDSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409335705 1072337651 /nfs/dbraw/zinc/33/76/51/1072337651.db2.gz YVAZDKVLVUQJLE-UFFVCSGVSA-N 0 0 643.781 7.998 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409107104 1072339190 /nfs/dbraw/zinc/33/91/90/1072339190.db2.gz UVKDYOTXQNOZTA-WKULSOCRSA-N 0 0 603.506 6.820 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409335298 1072339392 /nfs/dbraw/zinc/33/93/92/1072339392.db2.gz ZZBAGCWNMWMQMI-GZTJUZNOSA-N 0 0 513.276 6.406 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000409335387 1072339918 /nfs/dbraw/zinc/33/99/18/1072339918.db2.gz ZMLWAIPUXRMTEW-MFOYZWKCSA-N 0 0 580.296 6.801 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409335402 1072339932 /nfs/dbraw/zinc/33/99/32/1072339932.db2.gz ZPJVFVLRFOAPIC-FYJGNVAPSA-N 0 0 545.469 6.127 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409106984 1072340255 /nfs/dbraw/zinc/34/02/55/1072340255.db2.gz NXEOVNUEHRNCPV-CCVNUDIWSA-N 0 0 732.480 9.531 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409335156 1072340470 /nfs/dbraw/zinc/34/04/70/1072340470.db2.gz ZATIGIVFSKYLAR-YVNNLAQVSA-N 0 0 592.438 7.407 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409334894 1072342687 /nfs/dbraw/zinc/34/26/87/1072342687.db2.gz XXQPNSUBJNTDES-OPEKNORGSA-N 0 0 627.538 6.227 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409335271 1072341351 /nfs/dbraw/zinc/34/13/51/1072341351.db2.gz ZXXSVMRLGGRMRS-CIAFOILYSA-N 0 0 544.858 6.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409334963 1072343101 /nfs/dbraw/zinc/34/31/01/1072343101.db2.gz YFFIUGZCINBUGC-JJFYIABZSA-N 0 0 585.361 8.684 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409334777 1072344170 /nfs/dbraw/zinc/34/41/70/1072344170.db2.gz WFEDILLTFBXMBR-FBHDLOMBSA-N 0 0 660.236 8.512 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409106295 1072344832 /nfs/dbraw/zinc/34/48/32/1072344832.db2.gz RCYQEHVTXPXZFW-MZJWZYIUSA-N 0 0 643.976 9.023 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409334403 1072345487 /nfs/dbraw/zinc/34/54/87/1072345487.db2.gz XLEIDVKROBRHEX-DJKKODMXSA-N 0 0 522.442 5.032 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409334410 1072345521 /nfs/dbraw/zinc/34/55/21/1072345521.db2.gz XOUIZVCEQBLNHB-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409334301 1072346821 /nfs/dbraw/zinc/34/68/21/1072346821.db2.gz WWALBHFPQHITFU-MTJSOVHGSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000409334359 1072347066 /nfs/dbraw/zinc/34/70/66/1072347066.db2.gz XGTVPUJVUKXWAC-KSEXSDGBSA-N 0 0 529.901 8.056 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409334388 1072347510 /nfs/dbraw/zinc/34/75/10/1072347510.db2.gz XGPXGJPBJRNEGA-NVMNQCDNSA-N 0 0 517.297 6.946 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409334172 1072347993 /nfs/dbraw/zinc/34/79/93/1072347993.db2.gz UUFAPJHYRCVXHV-FOKLQQMPSA-N 0 0 522.560 5.317 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409334251 1072348470 /nfs/dbraw/zinc/34/84/70/1072348470.db2.gz WJQHDXQLIDNIRQ-QQXSKIMKSA-N 0 0 668.534 7.736 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409334243 1072348495 /nfs/dbraw/zinc/34/84/95/1072348495.db2.gz WHBYZQNUFKSAMW-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c1 ZINC000409105564 1072348960 /nfs/dbraw/zinc/34/89/60/1072348960.db2.gz LDIGYJINYASUQB-VULFUBBASA-N 0 0 616.608 7.093 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409105607 1072349444 /nfs/dbraw/zinc/34/94/44/1072349444.db2.gz NIJRBSMVXBCQLQ-UAMLYEQYSA-N 0 0 619.187 5.182 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1 ZINC000409332878 1072357675 /nfs/dbraw/zinc/35/76/75/1072357675.db2.gz SBCWVDMBJDTLPS-WOJGMQOQSA-N 0 0 505.404 5.808 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409333752 1072351658 /nfs/dbraw/zinc/35/16/58/1072351658.db2.gz VNDWRDLXHIGDOL-UCQKPKSFSA-N 0 0 544.467 6.972 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409333599 1072352800 /nfs/dbraw/zinc/35/28/00/1072352800.db2.gz URTRAMJLNYPUQO-IWIPYMOSSA-N 0 0 601.531 7.292 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409333665 1072353475 /nfs/dbraw/zinc/35/34/75/1072353475.db2.gz UZYKTPBUZMUEPP-UKWGHVSLSA-N 0 0 648.200 8.642 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409332934 1072357980 /nfs/dbraw/zinc/35/79/80/1072357980.db2.gz SMEROGBXFNGHGO-OYKKKHCWSA-N 0 0 544.525 7.994 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409333261 1072354504 /nfs/dbraw/zinc/35/45/04/1072354504.db2.gz INGWJRKMWWIQGK-USDTVRPUSA-N 0 0 600.697 5.121 40 10 KKCBRN O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409333263 1072354690 /nfs/dbraw/zinc/35/46/90/1072354690.db2.gz ROKKXYZNHVTTNG-YBFXNURJSA-N 0 0 534.844 6.266 40 10 KKCBRN CCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409104534 1072354834 /nfs/dbraw/zinc/35/48/34/1072354834.db2.gz JLVPXZYXSBFKBF-HZHRSRAPSA-N 0 0 527.042 6.926 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409333009 1072356734 /nfs/dbraw/zinc/35/67/34/1072356734.db2.gz AJNNHNUKRFIDLR-SMMDIQCVSA-N 0 0 632.767 6.779 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409332777 1072359435 /nfs/dbraw/zinc/35/94/35/1072359435.db2.gz RCJHEXWSKMBHBP-IUXPMGMMSA-N 0 0 624.305 5.954 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409332389 1072360625 /nfs/dbraw/zinc/36/06/25/1072360625.db2.gz RBALGFDTUNWYNN-BUVRLJJBSA-N 0 0 512.052 6.732 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409332444 1072361045 /nfs/dbraw/zinc/36/10/45/1072361045.db2.gz RMVITSBLESLXGO-QQXSKIMKSA-N 0 0 532.687 6.121 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OCC)c2)SC1=S ZINC000409332435 1072361196 /nfs/dbraw/zinc/36/11/96/1072361196.db2.gz RLOOIPTYQXVRQB-HAHDFKILSA-N 0 0 542.520 7.191 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409332464 1072361241 /nfs/dbraw/zinc/36/12/41/1072361241.db2.gz QWYICRAIUHYCGV-UCQKPKSFSA-N 0 0 526.477 6.751 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCC ZINC000409332044 1072365587 /nfs/dbraw/zinc/36/55/87/1072365587.db2.gz PEPXZWQGYNVLEX-UNOMPAQXSA-N 0 0 539.460 6.111 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409332091 1072363334 /nfs/dbraw/zinc/36/33/34/1072363334.db2.gz PZHUEWPNGIHPSB-UCQKPKSFSA-N 0 0 574.949 7.794 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409332206 1072364717 /nfs/dbraw/zinc/36/47/17/1072364717.db2.gz PVUFLLMTIVVVPA-MXAYSNPKSA-N 0 0 588.538 7.733 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409331784 1072365947 /nfs/dbraw/zinc/36/59/47/1072365947.db2.gz PTTMCXNPLKFNIE-KSEXSDGBSA-N 0 0 585.361 8.684 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409331158 1072372440 /nfs/dbraw/zinc/37/24/40/1072372440.db2.gz MFPJOXCVOYUVAC-UKWGHVSLSA-N 0 0 578.411 7.017 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409331886 1072367035 /nfs/dbraw/zinc/36/70/35/1072367035.db2.gz PFZOOCCTOVWFCG-FBHDLOMBSA-N 0 0 660.236 8.512 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409331751 1072367983 /nfs/dbraw/zinc/36/79/83/1072367983.db2.gz PLRWTZDCYLXSHM-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409331470 1072370324 /nfs/dbraw/zinc/37/03/24/1072370324.db2.gz OEBHFOXFYNJSRR-ZRGSRPPYSA-N 0 0 545.705 6.278 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCC ZINC000409331465 1072370475 /nfs/dbraw/zinc/37/04/75/1072370475.db2.gz OBFOEQXQQGEGRQ-CPNJWEJPSA-N 0 0 554.475 5.560 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409331294 1072371247 /nfs/dbraw/zinc/37/12/47/1072371247.db2.gz NXDCQCDRJYKCLS-CFRMEGHHSA-N 0 0 530.498 7.685 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409330770 1072374147 /nfs/dbraw/zinc/37/41/47/1072374147.db2.gz MNHDCXJAORTPCG-FSJBWODESA-N 0 0 662.971 5.683 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409330803 1072374200 /nfs/dbraw/zinc/37/42/00/1072374200.db2.gz MATYPKAZPRUGGB-YVLHZVERSA-N 0 0 543.316 7.906 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409330607 1072375029 /nfs/dbraw/zinc/37/50/29/1072375029.db2.gz LAFWQSNCZNIEDV-AWQFTUOYSA-N 0 0 692.651 8.751 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409330680 1072375447 /nfs/dbraw/zinc/37/54/47/1072375447.db2.gz LXBWQFWLUKJKCB-QRVIBDJDSA-N 0 0 510.568 6.117 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409330720 1072375508 /nfs/dbraw/zinc/37/55/08/1072375508.db2.gz LOMCILFOHMJQFY-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)c1 ZINC000409330211 1072378618 /nfs/dbraw/zinc/37/86/18/1072378618.db2.gz JTQNSJOOWCVKNK-SRZZPIQSSA-N 0 0 625.404 8.057 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409330237 1072378641 /nfs/dbraw/zinc/37/86/41/1072378641.db2.gz KGWGNRRAZJBEPT-LPYMAVHISA-N 0 0 560.922 7.404 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409330256 1072378928 /nfs/dbraw/zinc/37/89/28/1072378928.db2.gz KHGYSHPRHNKOGN-BHGWPJFGSA-N 0 0 543.472 7.550 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409329751 1072382082 /nfs/dbraw/zinc/38/20/82/1072382082.db2.gz HQRPSXHOFFOSQL-CIAFOILYSA-N 0 0 652.361 6.485 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409329913 1072380967 /nfs/dbraw/zinc/38/09/67/1072380967.db2.gz ISOBYPLHXFKAKJ-LPYMAVHISA-N 0 0 576.921 7.105 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC ZINC000409329715 1072383902 /nfs/dbraw/zinc/38/39/02/1072383902.db2.gz HQMNPSXHPUOIEJ-BOPFTXTBSA-N 0 0 556.403 5.403 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409329489 1072384514 /nfs/dbraw/zinc/38/45/14/1072384514.db2.gz GLWFXLPOBTZTGG-LPYMAVHISA-N 0 0 639.818 8.249 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409329555 1072384807 /nfs/dbraw/zinc/38/48/07/1072384807.db2.gz FVWSREBOBGMQCU-VROXFSQNSA-N 0 0 539.465 7.131 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409329547 1072384949 /nfs/dbraw/zinc/38/49/49/1072384949.db2.gz FSFQCDIVCRGLBU-FOKLQQMPSA-N 0 0 603.541 7.073 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409329582 1072385230 /nfs/dbraw/zinc/38/52/30/1072385230.db2.gz GGRDXXGOJPOBAN-FYJGNVAPSA-N 0 0 638.346 7.047 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409329167 1072386049 /nfs/dbraw/zinc/38/60/49/1072386049.db2.gz DHQPYGJEASKVBT-MRUKODCESA-N 0 0 696.516 8.182 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1C ZINC000409329428 1072386224 /nfs/dbraw/zinc/38/62/24/1072386224.db2.gz FUAJTVHLZREPAI-OEAKJJBVSA-N 0 0 510.478 7.051 40 10 KKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409329253 1072387100 /nfs/dbraw/zinc/38/71/00/1072387100.db2.gz CVNVDQKUXOMFID-IUXPMGMMSA-N 0 0 547.721 7.058 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000409328886 1072388372 /nfs/dbraw/zinc/38/83/72/1072388372.db2.gz BVMTXUMCIURBHJ-UDWIEESQSA-N 0 0 547.441 5.976 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409328873 1072388558 /nfs/dbraw/zinc/38/85/58/1072388558.db2.gz BQSXYKQNBVNFSS-QQXSKIMKSA-N 0 0 501.604 6.972 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Br)ccc4Br)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409112518 1072388843 /nfs/dbraw/zinc/38/88/43/1072388843.db2.gz DMPKLIPEKVQKCR-GVMLUORFSA-N 0 0 671.411 5.649 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409328912 1072388925 /nfs/dbraw/zinc/38/89/25/1072388925.db2.gz AGEVUJRYTZLHSR-VYYCAZPPSA-N 0 0 571.595 8.441 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409328903 1072388999 /nfs/dbraw/zinc/38/89/99/1072388999.db2.gz ACTWOROJBLJJOO-MUFRIFMGSA-N 0 0 645.738 6.257 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409328899 1072389059 /nfs/dbraw/zinc/38/90/59/1072389059.db2.gz AASRRIXGAOZAHD-ZVHZXABRSA-N 0 0 536.700 6.149 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409328712 1072389416 /nfs/dbraw/zinc/38/94/16/1072389416.db2.gz AGGOYJNOGKDBGD-JMIUGGIZSA-N 0 0 626.388 7.482 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409328771 1072389857 /nfs/dbraw/zinc/38/98/57/1072389857.db2.gz AWTFQFWAGYIUNY-CIAFOILYSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1cccc2ccccc21 ZINC000409328606 1072391326 /nfs/dbraw/zinc/39/13/26/1072391326.db2.gz YPPNAMVVQHJWBE-MIXAMLLLSA-N 0 0 538.093 8.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409328619 1072391427 /nfs/dbraw/zinc/39/14/27/1072391427.db2.gz YYQDAFSTGQRUOV-UCQKPKSFSA-N 0 0 590.948 7.495 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409328443 1072391693 /nfs/dbraw/zinc/39/16/93/1072391693.db2.gz VKDUVCJGAJKMIS-MYYYXRDXSA-N 0 0 596.955 8.249 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1Cl ZINC000409328423 1072391802 /nfs/dbraw/zinc/39/18/02/1072391802.db2.gz UZBTXSWTBSHPTN-ODCIPOBUSA-N 0 0 694.681 9.165 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409328503 1072392210 /nfs/dbraw/zinc/39/22/10/1072392210.db2.gz WPJJVXKVLUCKQT-OCKHKDLRSA-N 0 0 534.402 6.503 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409328355 1072393633 /nfs/dbraw/zinc/39/36/33/1072393633.db2.gz SUTKYIMTXPFYHT-MTJSOVHGSA-N 0 0 625.791 7.858 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409328193 1072394563 /nfs/dbraw/zinc/39/45/63/1072394563.db2.gz PWKQTQZYBXYLRL-CIAFOILYSA-N 0 0 668.816 6.999 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409328156 1072394589 /nfs/dbraw/zinc/39/45/89/1072394589.db2.gz PNLCHOXMCUYLHH-SSDVNMTOSA-N 0 0 564.885 7.235 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000409327744 1072398240 /nfs/dbraw/zinc/39/82/40/1072398240.db2.gz MGXOTDWKSSXDDP-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409327791 1072398725 /nfs/dbraw/zinc/39/87/25/1072398725.db2.gz NCALDLCLRYRBAV-YSMPRRRNSA-N 0 0 641.527 7.967 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409327451 1072401314 /nfs/dbraw/zinc/40/13/14/1072401314.db2.gz JWOONJGESVFKRW-LPYMAVHISA-N 0 0 548.664 5.213 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1Cl ZINC000409346837 1072411179 /nfs/dbraw/zinc/41/11/79/1072411179.db2.gz OKZJRJHFHXLJKA-ODLFYWEKSA-N 0 0 523.941 6.811 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1C ZINC000409346921 1072412401 /nfs/dbraw/zinc/41/24/01/1072412401.db2.gz PAPAYMGXKVUGAD-WSDLNYQXSA-N 0 0 530.549 7.429 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2OC)cc1 ZINC000409346929 1072412437 /nfs/dbraw/zinc/41/24/37/1072412437.db2.gz PBDGQRLUSOMEML-LFVJCYFKSA-N 0 0 510.681 5.809 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1 ZINC000409107792 1072412818 /nfs/dbraw/zinc/41/28/18/1072412818.db2.gz QPVWRYIYJWAOGJ-OEAKJJBVSA-N 0 0 554.466 5.930 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346709 1072412975 /nfs/dbraw/zinc/41/29/75/1072412975.db2.gz ODOLLLWPYSGVPS-OYKKKHCWSA-N 0 0 599.528 7.358 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409107528 1072413386 /nfs/dbraw/zinc/41/33/86/1072413386.db2.gz WQWWBDOXWWPWRE-XGLKJEJJSA-N 0 0 631.198 5.341 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409346768 1072413515 /nfs/dbraw/zinc/41/35/15/1072413515.db2.gz OMVLVNLUSYURDT-VCHYOVAHSA-N 0 0 601.509 5.369 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409346753 1072413528 /nfs/dbraw/zinc/41/35/28/1072413528.db2.gz OGAWFFXWSPPCDQ-PKAZHMFMSA-N 0 0 532.086 7.877 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1 ZINC000409346806 1072413832 /nfs/dbraw/zinc/41/38/32/1072413832.db2.gz OPQKBPFXBJNYPZ-NHDPSOOVSA-N 0 0 532.474 5.956 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409346632 1072415086 /nfs/dbraw/zinc/41/50/86/1072415086.db2.gz OAIKMMXQBGUQKF-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409346519 1072416473 /nfs/dbraw/zinc/41/64/73/1072416473.db2.gz LEZYPIXIUJEQJE-MTJSOVHGSA-N 0 0 525.633 6.309 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409346197 1072418570 /nfs/dbraw/zinc/41/85/70/1072418570.db2.gz NMSMNSUCPNMOBZ-NVNXTCNLSA-N 0 0 533.694 6.275 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409346026 1072419024 /nfs/dbraw/zinc/41/90/24/1072419024.db2.gz MJUXJDFKHDXYJY-QRVIBDJDSA-N 0 0 560.575 7.519 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1C ZINC000409346009 1072419067 /nfs/dbraw/zinc/41/90/67/1072419067.db2.gz MIFWUZGVBXATJQ-RGVLZGJSSA-N 0 0 515.410 6.640 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409122810 1072420470 /nfs/dbraw/zinc/42/04/70/1072420470.db2.gz BXAZXQMVVCAUTK-RIMPEIONSA-N 0 0 591.980 6.907 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409345675 1072421586 /nfs/dbraw/zinc/42/15/86/1072421586.db2.gz JZUDZZNDNSRBOE-MTJSOVHGSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1 ZINC000409345500 1072422626 /nfs/dbraw/zinc/42/26/26/1072422626.db2.gz IYLVJBUDCPOCSO-FSJBWODESA-N 0 0 617.486 6.403 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409345634 1072423663 /nfs/dbraw/zinc/42/36/63/1072423663.db2.gz JTMINZVMYAHRJR-NVNXTCNLSA-N 0 0 611.239 5.839 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409345276 1072425852 /nfs/dbraw/zinc/42/58/52/1072425852.db2.gz KXLJQUFMNBEBGX-MFKUBSTISA-N 0 0 510.080 7.340 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409345133 1072426909 /nfs/dbraw/zinc/42/69/09/1072426909.db2.gz JXBLMKPGQYTSDI-WSDLNYQXSA-N 0 0 624.460 7.640 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409345085 1072426922 /nfs/dbraw/zinc/42/69/22/1072426922.db2.gz JUMXDNKAOVZDHN-YSMPRRRNSA-N 0 0 567.132 7.285 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000409345097 1072426970 /nfs/dbraw/zinc/42/69/70/1072426970.db2.gz KGGJPSDGAKEEBL-GIJQJNRQSA-N 0 0 542.860 5.459 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OCC)cc2)C1=O ZINC000409345165 1072427491 /nfs/dbraw/zinc/42/74/91/1072427491.db2.gz KBFRGFJRXAKNTJ-XDHOZWIPSA-N 0 0 522.442 5.196 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409345143 1072427494 /nfs/dbraw/zinc/42/74/94/1072427494.db2.gz JYRWXLOXSKGOMG-CHHVJCJISA-N 0 0 505.242 6.179 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409345169 1072427519 /nfs/dbraw/zinc/42/75/19/1072427519.db2.gz KCIPZROWSAMVER-JAIQZWGSSA-N 0 0 700.317 6.789 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409345053 1072428488 /nfs/dbraw/zinc/42/84/88/1072428488.db2.gz JZEMOGVGIXKKBA-JJFYIABZSA-N 0 0 660.357 8.121 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S ZINC000409344629 1072429395 /nfs/dbraw/zinc/42/93/95/1072429395.db2.gz HQIYTEBJERONCR-VXLYETTFSA-N 0 0 561.350 7.345 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409344562 1072431890 /nfs/dbraw/zinc/43/18/90/1072431890.db2.gz HCCVZKKQNLTPMG-UUYOSTAYSA-N 0 0 512.996 6.242 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409344452 1072433399 /nfs/dbraw/zinc/43/33/99/1072433399.db2.gz JJSYRORYYFVLGR-LICLKQGHSA-N 0 0 634.311 5.410 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409344245 1072433793 /nfs/dbraw/zinc/43/37/93/1072433793.db2.gz IEGNSSHYHHRMDE-FBHDLOMBSA-N 0 0 660.236 8.512 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409344244 1072433912 /nfs/dbraw/zinc/43/39/12/1072433912.db2.gz ILXLJVFYQOXXKT-UCQKPKSFSA-N 0 0 589.476 6.293 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409344287 1072434500 /nfs/dbraw/zinc/43/45/00/1072434500.db2.gz INALHFMLMZGWGP-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409344316 1072434529 /nfs/dbraw/zinc/43/45/29/1072434529.db2.gz IXQHFBBJOVIOOQ-IUXPMGMMSA-N 0 0 621.756 6.221 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000409344164 1072435532 /nfs/dbraw/zinc/43/55/32/1072435532.db2.gz JBVHOJXRKKFESD-OEAKJJBVSA-N 0 0 519.604 5.635 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1 ZINC000409343786 1072437364 /nfs/dbraw/zinc/43/73/64/1072437364.db2.gz GMQMMLUNEKFGEO-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(C)c1 ZINC000409343510 1072440075 /nfs/dbraw/zinc/44/00/75/1072440075.db2.gz HWFHAEKYKWAUAL-JJFYIABZSA-N 0 0 609.445 8.191 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409343495 1072440144 /nfs/dbraw/zinc/44/01/44/1072440144.db2.gz HGWZMIBIVJAHGW-NVMNQCDNSA-N 0 0 505.955 6.005 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409343511 1072440184 /nfs/dbraw/zinc/44/01/84/1072440184.db2.gz HKLUCLUAHPJJFW-ZVHZXABRSA-N 0 0 582.103 5.529 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000409343353 1072441215 /nfs/dbraw/zinc/44/12/15/1072441215.db2.gz GKCNUZKLMOEEGP-CPNJWEJPSA-N 0 0 539.460 6.193 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409343183 1072442389 /nfs/dbraw/zinc/44/23/89/1072442389.db2.gz CUGBLXULARORMQ-MYYYXRDXSA-N 0 0 596.955 8.249 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409343051 1072443731 /nfs/dbraw/zinc/44/37/31/1072443731.db2.gz DGXFHVOOONSDSR-LPYMAVHISA-N 0 0 545.564 6.878 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409342936 1072445380 /nfs/dbraw/zinc/44/53/80/1072445380.db2.gz FLONBPGMACQYID-RGVLZGJSSA-N 0 0 515.410 6.640 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1O ZINC000409342588 1072447053 /nfs/dbraw/zinc/44/70/53/1072447053.db2.gz DPWVXMCPQYSJJQ-CXUHLZMHSA-N 0 0 529.446 5.523 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1Cl ZINC000409342684 1072448025 /nfs/dbraw/zinc/44/80/25/1072448025.db2.gz CERQQXQWSXJSAY-UFFVCSGVSA-N 0 0 660.236 8.512 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409342173 1072450404 /nfs/dbraw/zinc/45/04/04/1072450404.db2.gz CMCDKCGUWXCUOG-WPWMEQJKSA-N 0 0 540.666 6.580 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409342221 1072450965 /nfs/dbraw/zinc/45/09/65/1072450965.db2.gz CUVXRHIWUKTUAY-UKWGHVSLSA-N 0 0 571.385 8.119 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409342242 1072451009 /nfs/dbraw/zinc/45/10/09/1072451009.db2.gz AYRDUMZXSWKHCJ-MTJSOVHGSA-N 0 0 561.866 6.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409341996 1072451550 /nfs/dbraw/zinc/45/15/50/1072451550.db2.gz DGBXGJHZVHWRGS-HYARGMPZSA-N 0 0 516.471 7.377 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409342135 1072452518 /nfs/dbraw/zinc/45/25/18/1072452518.db2.gz ACPVLRQQEYDKTI-ROTLSHHCSA-N 0 0 561.531 7.964 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1O ZINC000409341869 1072452569 /nfs/dbraw/zinc/45/25/69/1072452569.db2.gz COLFEMMTERCVMA-LZYBPNLTSA-N 0 0 547.823 5.463 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409341727 1072455030 /nfs/dbraw/zinc/45/50/30/1072455030.db2.gz BPYQATRRZMHCIE-JAIQZWGSSA-N 0 0 587.439 7.702 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2Br)cc1 ZINC000409126128 1072455526 /nfs/dbraw/zinc/45/55/26/1072455526.db2.gz NYSPZQFUYQQBNS-HMAPJEAMSA-N 0 0 507.409 5.737 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409341505 1072457904 /nfs/dbraw/zinc/45/79/04/1072457904.db2.gz BJRYBRYGMJTKHF-AFUMVMLFSA-N 0 0 656.580 5.647 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000409341264 1072458665 /nfs/dbraw/zinc/45/86/65/1072458665.db2.gz ARQUTXMLDFJOHX-OYKKKHCWSA-N 0 0 552.555 7.965 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000409341331 1072459057 /nfs/dbraw/zinc/45/90/57/1072459057.db2.gz BGRFPKVPLKHKTH-HMAPJEAMSA-N 0 0 505.577 5.327 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409341341 1072459090 /nfs/dbraw/zinc/45/90/90/1072459090.db2.gz BEEREARUWZRKRB-ZVHZXABRSA-N 0 0 509.483 7.711 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409341361 1072459767 /nfs/dbraw/zinc/45/97/67/1072459767.db2.gz ADCLTYVCFACTKX-UUYOSTAYSA-N 0 0 600.472 5.789 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409341219 1072461020 /nfs/dbraw/zinc/46/10/20/1072461020.db2.gz ABADBPFCCDLLAM-NHDPSOOVSA-N 0 0 561.866 6.996 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409124870 1072464773 /nfs/dbraw/zinc/46/47/73/1072464773.db2.gz DDYNOXXOGYNVCT-IWIPYMOSSA-N 0 0 519.489 7.416 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S)c1ccc(Cl)cc1 ZINC000409340536 1072464761 /nfs/dbraw/zinc/46/47/61/1072464761.db2.gz YTUYMLUDMXZOHD-XYGWBWBKSA-N 0 0 531.058 6.618 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S ZINC000409340402 1072465790 /nfs/dbraw/zinc/46/57/90/1072465790.db2.gz WNJQJBFBGFBQIE-CIAFOILYSA-N 0 0 509.521 5.710 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409340427 1072466328 /nfs/dbraw/zinc/46/63/28/1072466328.db2.gz XAHSPVZWRGVOLI-CXUHLZMHSA-N 0 0 522.808 6.230 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000409124381 1072467023 /nfs/dbraw/zinc/46/70/23/1072467023.db2.gz BPPZARJYWJBZIB-STZFKDTASA-N 0 0 523.408 5.437 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409340254 1072467439 /nfs/dbraw/zinc/46/74/39/1072467439.db2.gz SVTQXNRFZWLTIK-FBHDLOMBSA-N 0 0 547.441 6.895 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409124264 1072467818 /nfs/dbraw/zinc/46/78/18/1072467818.db2.gz ALTYJSCGFWFHEF-YVNNLAQVSA-N 0 0 588.346 7.209 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1Cl ZINC000409340142 1072468503 /nfs/dbraw/zinc/46/85/03/1072468503.db2.gz RCZFFBCAZLTEHY-UFFVCSGVSA-N 0 0 643.781 7.998 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409340149 1072468950 /nfs/dbraw/zinc/46/89/50/1072468950.db2.gz RFZRXFYGFPHVHT-LSFURLLWSA-N 0 0 664.257 9.446 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409340237 1072469683 /nfs/dbraw/zinc/46/96/83/1072469683.db2.gz SPZWTLXJACOTFS-ZBKNUEDVSA-N 0 0 650.281 8.881 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409339994 1072470117 /nfs/dbraw/zinc/47/01/17/1072470117.db2.gz OCYDGCJAAPJZSY-FBHDLOMBSA-N 0 0 599.330 7.888 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409339980 1072470125 /nfs/dbraw/zinc/47/01/25/1072470125.db2.gz NZTPQPZTGIDPMQ-FBHDLOMBSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409339997 1072470140 /nfs/dbraw/zinc/47/01/40/1072470140.db2.gz OGOBDZMYEMKPCL-QRVIBDJDSA-N 0 0 605.544 7.007 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409339695 1072472976 /nfs/dbraw/zinc/47/29/76/1072472976.db2.gz KSQTXVNGGVRIDV-LSHDLFTRSA-N 0 0 560.878 6.816 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000409339688 1072472981 /nfs/dbraw/zinc/47/29/81/1072472981.db2.gz KPBWTLNUONKTMB-HYARGMPZSA-N 0 0 538.050 5.212 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409339791 1072473522 /nfs/dbraw/zinc/47/35/22/1072473522.db2.gz YMDLCDXVPGLMAM-YSMPRRRNSA-N 0 0 576.700 6.173 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 ZINC000409339554 1072474153 /nfs/dbraw/zinc/47/41/53/1072474153.db2.gz WCFJOOGTGDGKLF-BUVRLJJBSA-N 0 0 549.630 5.589 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc(OC)cc5)cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409137045 1072474262 /nfs/dbraw/zinc/47/42/62/1072474262.db2.gz ZPFPNSIZDPWJEQ-GTWSWNCMSA-N 0 0 611.720 6.441 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409339637 1072474643 /nfs/dbraw/zinc/47/46/43/1072474643.db2.gz XLYKLARIXJRHDZ-RQZCQDPDSA-N 0 0 576.412 5.824 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409339263 1072477135 /nfs/dbraw/zinc/47/71/35/1072477135.db2.gz GHVOPKGISAAPFO-WYMPLXKRSA-N 0 0 523.651 6.362 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S ZINC000409339287 1072477493 /nfs/dbraw/zinc/47/74/93/1072477493.db2.gz GWPXRTUUEBCVIV-MSXFZWOLSA-N 0 0 509.027 6.897 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339162 1072478676 /nfs/dbraw/zinc/47/86/76/1072478676.db2.gz SLAITGLNCQBIJH-UDWIEESQSA-N 0 0 509.521 5.710 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NC[C@@H]4CCCO4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409136376 1072479078 /nfs/dbraw/zinc/47/90/78/1072479078.db2.gz UECGONCGNAYEQQ-RLNKTFTISA-N 0 0 600.560 5.109 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)cc1 ZINC000409338932 1072479113 /nfs/dbraw/zinc/47/91/13/1072479113.db2.gz CGCKTZRZQWBMPU-ZVHZXABRSA-N 0 0 517.607 5.834 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NC[C@H]4CCCO4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409136373 1072479184 /nfs/dbraw/zinc/47/91/84/1072479184.db2.gz UECGONCGNAYEQQ-FLOKNMQNSA-N 0 0 600.560 5.109 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409338819 1072480813 /nfs/dbraw/zinc/48/08/13/1072480813.db2.gz BPJKWGDSFFGZFU-MFOYZWKCSA-N 0 0 547.721 7.060 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339060 1072480820 /nfs/dbraw/zinc/48/08/20/1072480820.db2.gz RLBWCBSPTNCZPH-ZVHZXABRSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409338862 1072481314 /nfs/dbraw/zinc/48/13/14/1072481314.db2.gz PSIJMIFTBJAMGL-NDENLUEZSA-N 0 0 547.883 6.491 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409338904 1072481869 /nfs/dbraw/zinc/48/18/69/1072481869.db2.gz QNZIQSLESOKBGD-BUVRLJJBSA-N 0 0 603.991 7.552 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409338909 1072481882 /nfs/dbraw/zinc/48/18/82/1072481882.db2.gz BZCBRGIRKBNOMS-ZVBGSRNCSA-N 0 0 623.319 7.064 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409338737 1072482970 /nfs/dbraw/zinc/48/29/70/1072482970.db2.gz PETLVMNBQGZDOK-LQKURTRISA-N 0 0 562.112 7.885 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409135750 1072483176 /nfs/dbraw/zinc/48/31/76/1072483176.db2.gz QZJORLAPEBJYAB-WGARJPEWSA-N 0 0 614.949 6.266 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409338589 1072484090 /nfs/dbraw/zinc/48/40/90/1072484090.db2.gz MQFWKSPSTFYOKU-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)c1 ZINC000409338228 1072486676 /nfs/dbraw/zinc/48/66/76/1072486676.db2.gz GDQQSQNLTNJCPQ-SRZZPIQSSA-N 0 0 525.589 6.423 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409135165 1072486675 /nfs/dbraw/zinc/48/66/75/1072486675.db2.gz VHANDMKDAAFHSJ-IWIPYMOSSA-N 0 0 574.610 6.588 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000409338198 1072486784 /nfs/dbraw/zinc/48/67/84/1072486784.db2.gz FPSAXSONBXHRCX-MYYYXRDXSA-N 0 0 566.929 8.241 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409338272 1072487723 /nfs/dbraw/zinc/48/77/23/1072487723.db2.gz GYCOYEPEJOAIJO-ZVHZXABRSA-N 0 0 529.058 6.539 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338069 1072488181 /nfs/dbraw/zinc/48/81/81/1072488181.db2.gz CKIZUWRJRJEIRZ-HMAPJEAMSA-N 0 0 544.467 6.972 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)SC2=S)cc1Cl ZINC000409338154 1072488903 /nfs/dbraw/zinc/48/89/03/1072488903.db2.gz DXUSYBXLEPKBLE-CVKSISIWSA-N 0 0 518.059 7.487 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccc(C)c(Cl)c5)C(=S)N(c5ccc(C)c(Cl)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000409337934 1072489410 /nfs/dbraw/zinc/48/94/10/1072489410.db2.gz ZUGSYQNVJIIBIW-UHFFFAOYSA-N 0 0 735.696 9.426 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409134415 1072492297 /nfs/dbraw/zinc/49/22/97/1072492297.db2.gz SIXWPFBFKYRCJM-UUYOSTAYSA-N 0 0 557.853 6.090 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409134522 1072492818 /nfs/dbraw/zinc/49/28/18/1072492818.db2.gz RZEMMEAYQKVKIT-PKAZHMFMSA-N 0 0 541.654 7.703 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc(OCC)cc5s4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409337492 1072493436 /nfs/dbraw/zinc/49/34/36/1072493436.db2.gz VPNSEJZVSQBILG-ZPVURNRZSA-N 0 0 646.816 5.617 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000409132646 1072502820 /nfs/dbraw/zinc/50/28/20/1072502820.db2.gz JREULPSNICTSMK-HMAPJEAMSA-N 0 0 510.974 5.857 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409132766 1072503478 /nfs/dbraw/zinc/50/34/78/1072503478.db2.gz JXRBXXYPUFGEAL-KSEXSDGBSA-N 0 0 527.498 7.553 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409132170 1072506318 /nfs/dbraw/zinc/50/63/18/1072506318.db2.gz NKTFVUFKZHNPTJ-RMORIDSASA-N 0 0 554.922 6.902 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409131973 1072506728 /nfs/dbraw/zinc/50/67/28/1072506728.db2.gz ZKNTXMIKLMTTSZ-VYYCAZPPSA-N 0 0 544.654 5.859 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409132041 1072506762 /nfs/dbraw/zinc/50/67/62/1072506762.db2.gz KQAAQDYQKHGKBX-RMORIDSASA-N 0 0 574.352 8.165 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccc(Br)cc23)SC1=S ZINC000409131679 1072508429 /nfs/dbraw/zinc/50/84/29/1072508429.db2.gz JDUMBCXZDCXHLB-SAGYFLTASA-N 0 0 506.491 5.026 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)N(C)C2=S)cc1 ZINC000409131424 1072509961 /nfs/dbraw/zinc/50/99/61/1072509961.db2.gz ILGVDLSHLKLAIQ-PKAZHMFMSA-N 0 0 545.665 5.606 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC[C@@H]4C)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409131306 1072511026 /nfs/dbraw/zinc/51/10/26/1072511026.db2.gz VIDAQUVIAJMCMJ-GQMTYKABSA-N 0 0 598.588 6.215 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409131051 1072511583 /nfs/dbraw/zinc/51/15/83/1072511583.db2.gz LNWPPUJKEMLZJV-MYYYXRDXSA-N 0 0 582.589 6.106 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409130885 1072511925 /nfs/dbraw/zinc/51/19/25/1072511925.db2.gz NZWSFZFMPZNNCK-IMRQLAEWSA-N 0 0 514.672 6.913 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409130966 1072512515 /nfs/dbraw/zinc/51/25/15/1072512515.db2.gz XLKDOYQQDMHQOI-RCECTWRXSA-N 0 0 547.927 6.486 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409130188 1072515897 /nfs/dbraw/zinc/51/58/97/1072515897.db2.gz KPFFETGHOLLTSL-OYKKKHCWSA-N 0 0 522.652 5.987 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccc(Br)cc23)SC1=S ZINC000409129856 1072516906 /nfs/dbraw/zinc/51/69/06/1072516906.db2.gz VDKGKLNDBBSQQM-MTJSOVHGSA-N 0 0 501.471 6.012 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409129962 1072517948 /nfs/dbraw/zinc/51/79/48/1072517948.db2.gz HVUTWIAFAHQCRR-CIAFOILYSA-N 0 0 520.436 6.315 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409129667 1072519125 /nfs/dbraw/zinc/51/91/25/1072519125.db2.gz RWKRPZYKOBCPFU-OOAXWGSJSA-N 0 0 501.652 5.600 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409129271 1072521699 /nfs/dbraw/zinc/52/16/99/1072521699.db2.gz RLNWSOBPOWAWCO-DICXZTSXSA-N 0 0 593.568 7.201 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c2C)cc1 ZINC000409128590 1072524183 /nfs/dbraw/zinc/52/41/83/1072524183.db2.gz SFODZDBXBPFXKI-BWAHOGKJSA-N 0 0 510.725 6.833 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409352988 1072524372 /nfs/dbraw/zinc/52/43/72/1072524372.db2.gz ZSRBXJZJOMOSFJ-YDZHTSKRSA-N 0 0 505.571 5.964 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccccc1F ZINC000409352757 1072526502 /nfs/dbraw/zinc/52/65/02/1072526502.db2.gz ZBXNITALPNBBHO-JAIQZWGSSA-N 0 0 673.310 7.020 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409352744 1072526527 /nfs/dbraw/zinc/52/65/27/1072526527.db2.gz YLKCDXLINHXEFZ-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409352235 1072528637 /nfs/dbraw/zinc/52/86/37/1072528637.db2.gz XDFBJCTWJDPGGW-CIAFOILYSA-N 0 0 594.339 6.881 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409127899 1072528754 /nfs/dbraw/zinc/52/87/54/1072528754.db2.gz QXNXUEFSQSLZDU-UUYOSTAYSA-N 0 0 541.398 5.576 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409352201 1072530384 /nfs/dbraw/zinc/53/03/84/1072530384.db2.gz WVXSUSKYGHTQOD-FBHDLOMBSA-N 0 0 644.237 8.499 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409144854 1072532399 /nfs/dbraw/zinc/53/23/99/1072532399.db2.gz QFMNFYWKDAQBIT-BRPDVVIDSA-N 0 0 569.708 7.823 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409144883 1072532477 /nfs/dbraw/zinc/53/24/77/1072532477.db2.gz LPBPRDUYIWWRFD-CIAFOILYSA-N 0 0 604.935 5.940 40 10 KKCBRN COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409144510 1072534013 /nfs/dbraw/zinc/53/40/13/1072534013.db2.gz FVKYKAURJBYUDN-ITYLOYPMSA-N 0 0 506.693 6.510 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409351348 1072535130 /nfs/dbraw/zinc/53/51/30/1072535130.db2.gz TYKPMNLBIRFDMH-JMIUGGIZSA-N 0 0 570.492 7.831 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409351212 1072536646 /nfs/dbraw/zinc/53/66/46/1072536646.db2.gz ZKBGBAGSOCBRGZ-SRZZPIQSSA-N 0 0 581.340 7.749 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)SC1=S ZINC000409351262 1072537049 /nfs/dbraw/zinc/53/70/49/1072537049.db2.gz SRZOWONSUJPOKX-XKZIYDEJSA-N 0 0 528.656 5.070 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)c1 ZINC000409351324 1072537682 /nfs/dbraw/zinc/53/76/82/1072537682.db2.gz UAFLFVFHJFFEGN-CFRMEGHHSA-N 0 0 517.657 6.726 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409351102 1072538050 /nfs/dbraw/zinc/53/80/50/1072538050.db2.gz ZJZWZLSBLLRGDS-ZVBGSRNCSA-N 0 0 699.329 6.609 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409351173 1072538925 /nfs/dbraw/zinc/53/89/25/1072538925.db2.gz ZXHWINLETVQAPS-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 ZINC000409351176 1072539062 /nfs/dbraw/zinc/53/90/62/1072539062.db2.gz ZWEYWDOGVNMYOU-JMIUGGIZSA-N 0 0 615.836 8.228 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409350914 1072539548 /nfs/dbraw/zinc/53/95/48/1072539548.db2.gz SVPDMHWABBKWJI-RGVLZGJSSA-N 0 0 673.235 7.644 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143558 1072541399 /nfs/dbraw/zinc/54/13/99/1072541399.db2.gz FUBHBLSFBVLPQP-WSDLNYQXSA-N 0 0 608.366 7.190 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)SC2=S)cc1Cl ZINC000409350509 1072542147 /nfs/dbraw/zinc/54/21/47/1072542147.db2.gz XWWRWRGOYIQFSP-CFRMEGHHSA-N 0 0 571.076 5.789 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409350581 1072543035 /nfs/dbraw/zinc/54/30/35/1072543035.db2.gz RTWBJTPENUQKCA-FMCGGJTJSA-N 0 0 571.474 6.659 40 10 KKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409143085 1072543530 /nfs/dbraw/zinc/54/35/30/1072543530.db2.gz UNPWONLXWKCPAY-MHVMIMSFSA-N 0 0 500.686 5.321 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409143078 1072543546 /nfs/dbraw/zinc/54/35/46/1072543546.db2.gz ULMCEERUNPXVLL-QFIPXVFZSA-N 0 0 506.451 6.683 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000409350270 1072544960 /nfs/dbraw/zinc/54/49/60/1072544960.db2.gz XGDSQYUSXKSJMZ-ZHZULCJRSA-N 0 0 569.486 6.283 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409350030 1072545233 /nfs/dbraw/zinc/54/52/33/1072545233.db2.gz WWZKVJMNQXGFJK-CIAFOILYSA-N 0 0 523.548 6.018 40 10 KKCBRN O=C1[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142751 1072545396 /nfs/dbraw/zinc/54/53/96/1072545396.db2.gz BRUSCVYKSKQSRG-NRFANRHFSA-N 0 0 524.441 6.822 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409350084 1072545870 /nfs/dbraw/zinc/54/58/70/1072545870.db2.gz XCULQPYVQLGWQX-UCQKPKSFSA-N 0 0 526.477 6.751 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409349893 1072546235 /nfs/dbraw/zinc/54/62/35/1072546235.db2.gz RDGOCXSIYPQPJU-LSHDLFTRSA-N 0 0 590.466 6.334 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409349910 1072546308 /nfs/dbraw/zinc/54/63/08/1072546308.db2.gz WLLGCUBKEUNONO-CIAFOILYSA-N 0 0 671.365 6.732 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000409349749 1072547226 /nfs/dbraw/zinc/54/72/26/1072547226.db2.gz WEDNDRNBZMPMOK-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409349873 1072547574 /nfs/dbraw/zinc/54/75/74/1072547574.db2.gz WJSMYPDNUWRDFI-LPYMAVHISA-N 0 0 604.447 6.193 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409349637 1072547983 /nfs/dbraw/zinc/54/79/83/1072547983.db2.gz QEWPTLJWOAHOSB-JJFYIABZSA-N 0 0 526.433 6.163 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000409349604 1072548076 /nfs/dbraw/zinc/54/80/76/1072548076.db2.gz QCMAOOITJFIOFC-IWIPYMOSSA-N 0 0 538.622 5.656 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409349455 1072548836 /nfs/dbraw/zinc/54/88/36/1072548836.db2.gz QDMKBIGPYMKHNP-QFEZKATASA-N 0 0 597.556 6.806 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349693 1072548862 /nfs/dbraw/zinc/54/88/62/1072548862.db2.gz VVSGSHKZOSIQFD-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349154 1072550713 /nfs/dbraw/zinc/55/07/13/1072550713.db2.gz UTJIAGQUUGTBJA-VCHYOVAHSA-N 0 0 544.801 7.787 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349426 1072550717 /nfs/dbraw/zinc/55/07/17/1072550717.db2.gz PUEYEMYOVYRWDY-WSDLNYQXSA-N 0 0 560.606 5.224 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1 ZINC000409349258 1072551721 /nfs/dbraw/zinc/55/17/21/1072551721.db2.gz VFUNPDDGBFNLHW-HMAPJEAMSA-N 0 0 591.467 6.814 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409141796 1072551849 /nfs/dbraw/zinc/55/18/49/1072551849.db2.gz WUAJNSIEMRXZFF-NHDPSOOVSA-N 0 0 505.492 6.406 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1)c1ccccc1 ZINC000409141607 1072552124 /nfs/dbraw/zinc/55/21/24/1072552124.db2.gz VYQYXIOFNYLXSQ-NDENLUEZSA-N 0 0 617.275 6.099 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409349021 1072552426 /nfs/dbraw/zinc/55/24/26/1072552426.db2.gz UFPVYGYHPDKBHF-YSURURNPSA-N 0 0 558.597 5.323 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409349041 1072552468 /nfs/dbraw/zinc/55/24/68/1072552468.db2.gz UEXDTGSREFLYSS-PXLXIMEGSA-N 0 0 541.050 6.103 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1F ZINC000409349079 1072552949 /nfs/dbraw/zinc/55/29/49/1072552949.db2.gz UVOATCYPAQNANP-MYYYXRDXSA-N 0 0 627.500 7.577 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409348951 1072553659 /nfs/dbraw/zinc/55/36/59/1072553659.db2.gz TZKVAFMVGXWMKK-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409141494 1072553670 /nfs/dbraw/zinc/55/36/70/1072553670.db2.gz IUIMDBKRVIAGOV-FXBPXSCXSA-N 0 0 512.281 6.590 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)c1 ZINC000409348974 1072553753 /nfs/dbraw/zinc/55/37/53/1072553753.db2.gz TYJOKPSCMQUUDR-OEAKJJBVSA-N 0 0 506.674 6.140 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409141321 1072554081 /nfs/dbraw/zinc/55/40/81/1072554081.db2.gz VASWHFOBAGFCCQ-OMMIQNFISA-N 0 0 515.075 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409348586 1072555094 /nfs/dbraw/zinc/55/50/94/1072555094.db2.gz PABQEZQTEKCZEU-JJFYIABZSA-N 0 0 676.812 8.635 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409348567 1072555239 /nfs/dbraw/zinc/55/52/39/1072555239.db2.gz OTQHGFMYALIHAS-WGOQTCKBSA-N 0 0 594.527 8.125 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409348664 1072555667 /nfs/dbraw/zinc/55/56/67/1072555667.db2.gz OJGQZHUJBRCMPQ-OEAKJJBVSA-N 0 0 648.500 6.592 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409141055 1072555958 /nfs/dbraw/zinc/55/59/58/1072555958.db2.gz LMHMTWQGLFTZQW-BRJLIKDPSA-N 0 0 662.071 7.529 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409348445 1072556103 /nfs/dbraw/zinc/55/61/03/1072556103.db2.gz SSYAGDPTQQXJSE-UCQKPKSFSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409348482 1072556519 /nfs/dbraw/zinc/55/65/19/1072556519.db2.gz SXCYCJCOCRWCMD-RGVLZGJSSA-N 0 0 673.235 7.644 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409348512 1072556523 /nfs/dbraw/zinc/55/65/23/1072556523.db2.gz SZZFEYXDBNJQNX-WGARJPEWSA-N 0 0 548.730 6.289 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409140913 1072556705 /nfs/dbraw/zinc/55/67/05/1072556705.db2.gz FPMOQJKLCWOASF-MXAYSNPKSA-N 0 0 564.530 6.588 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409348525 1072556831 /nfs/dbraw/zinc/55/68/31/1072556831.db2.gz OCWFPWNUBAGHKW-FOKLQQMPSA-N 0 0 604.931 7.215 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)SC2=S)cc1 ZINC000409140947 1072557175 /nfs/dbraw/zinc/55/71/75/1072557175.db2.gz FVLHSYDOFRITAA-YSMPRRRNSA-N 0 0 564.689 5.249 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409140938 1072557248 /nfs/dbraw/zinc/55/72/48/1072557248.db2.gz HCFAIULUMVRGPC-OOEUXUOGSA-N 0 0 551.715 6.534 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409348343 1072557230 /nfs/dbraw/zinc/55/72/30/1072557230.db2.gz SFKGZAHELAKUTA-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409348324 1072557269 /nfs/dbraw/zinc/55/72/69/1072557269.db2.gz SDNHYTHFLAPCHF-WPWMEQJKSA-N 0 0 546.714 6.940 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409348300 1072557345 /nfs/dbraw/zinc/55/73/45/1072557345.db2.gz SAYKIEJXVWXOON-QRVIBDJDSA-N 0 0 556.643 5.394 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409140373 1072558523 /nfs/dbraw/zinc/55/85/23/1072558523.db2.gz DENRPFXPJSKPKS-QQXSKIMKSA-N 0 0 547.746 5.872 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409348193 1072558771 /nfs/dbraw/zinc/55/87/71/1072558771.db2.gz RQNFMBHTSKPNDN-WNFQYIGGSA-N 0 0 650.230 9.056 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409348242 1072559113 /nfs/dbraw/zinc/55/91/13/1072559113.db2.gz RTLPPEUPFDVLEN-FSJBWODESA-N 0 0 534.461 7.516 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409347893 1072560496 /nfs/dbraw/zinc/56/04/96/1072560496.db2.gz NKGABAUJOJTEGL-LFVJCYFKSA-N 0 0 510.681 5.945 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409140307 1072560524 /nfs/dbraw/zinc/56/05/24/1072560524.db2.gz RFDGHJVVXCYJPS-HAHDFKILSA-N 0 0 551.462 6.136 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409347722 1072561487 /nfs/dbraw/zinc/56/14/87/1072561487.db2.gz QUHUXFYJJCTSIF-MSXFZWOLSA-N 0 0 585.501 6.968 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409347706 1072561506 /nfs/dbraw/zinc/56/15/06/1072561506.db2.gz QYDDGWGHMRAXAB-FBHDLOMBSA-N 0 0 600.518 7.839 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409347778 1072561797 /nfs/dbraw/zinc/56/17/97/1072561797.db2.gz NJZBTPGWNGJCDQ-JMIUGGIZSA-N 0 0 663.762 8.869 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409347807 1072561839 /nfs/dbraw/zinc/56/18/39/1072561839.db2.gz NKONEXWNPGHCJZ-CFRMEGHHSA-N 0 0 588.379 8.473 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409347671 1072563430 /nfs/dbraw/zinc/56/34/30/1072563430.db2.gz MLYZCCISZNOKBC-FSJBWODESA-N 0 0 532.578 5.733 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409347441 1072563953 /nfs/dbraw/zinc/56/39/53/1072563953.db2.gz PXEDNKNJLMADTK-YSMPRRRNSA-N 0 0 645.427 9.293 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409347367 1072564868 /nfs/dbraw/zinc/56/48/68/1072564868.db2.gz PTPIJBXVTGNSKY-PCLIKHOPSA-N 0 0 524.708 6.370 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409139072 1072566669 /nfs/dbraw/zinc/56/66/69/1072566669.db2.gz MBGSJYXOHQFLEI-UCQKPKSFSA-N 0 0 554.535 6.212 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409138846 1072567993 /nfs/dbraw/zinc/56/79/93/1072567993.db2.gz ITWXCXVZQVAXPR-AFPJDJCSSA-N 0 0 583.558 5.578 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409138548 1072570034 /nfs/dbraw/zinc/57/00/34/1072570034.db2.gz DNFAGALAIURJIP-VXPBSYOQSA-N 0 0 576.563 5.162 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409138185 1072571195 /nfs/dbraw/zinc/57/11/95/1072571195.db2.gz ZJAALHRWMCKBLU-IWIPYMOSSA-N 0 0 538.467 5.934 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409146660 1072579167 /nfs/dbraw/zinc/57/91/67/1072579167.db2.gz VIIFXJIFONERSO-WGOQTCKBSA-N 0 0 566.079 5.222 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1 ZINC000409146600 1072581021 /nfs/dbraw/zinc/58/10/21/1072581021.db2.gz UIANZTFWBNDBKA-DHRITJCHSA-N 0 0 561.729 5.461 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409146428 1072581861 /nfs/dbraw/zinc/58/18/61/1072581861.db2.gz SUWFNJZSXZPBKQ-YDZHTSKRSA-N 0 0 662.971 6.843 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409364743 1072583017 /nfs/dbraw/zinc/58/30/17/1072583017.db2.gz YNRYKTCOXLIONQ-QFEZKATASA-N 0 0 527.627 5.723 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145977 1072584038 /nfs/dbraw/zinc/58/40/38/1072584038.db2.gz RCIWLHZCNPYGGU-ZMOGYAJESA-N 0 0 504.677 5.714 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)c1 ZINC000409145986 1072584183 /nfs/dbraw/zinc/58/41/83/1072584183.db2.gz RDMZJVLEFWADHX-DHRITJCHSA-N 0 0 561.729 5.461 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OC ZINC000409146004 1072584573 /nfs/dbraw/zinc/58/45/73/1072584573.db2.gz PLXDZMQFZLCFLA-DJKKODMXSA-N 0 0 598.528 5.147 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409145564 1072586968 /nfs/dbraw/zinc/58/69/68/1072586968.db2.gz QUTKOWAHUZPZBL-CFRMEGHHSA-N 0 0 519.652 5.399 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409145440 1072587816 /nfs/dbraw/zinc/58/78/16/1072587816.db2.gz QFHQWUNVVDZBOV-PKAZHMFMSA-N 0 0 564.639 6.247 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)ccc1Cl ZINC000409157207 1072591518 /nfs/dbraw/zinc/59/15/18/1072591518.db2.gz PGQYNDCZPPNSGB-YDZHTSKRSA-N 0 0 538.025 5.599 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362538 1072594534 /nfs/dbraw/zinc/59/45/34/1072594534.db2.gz HSPBOFYDMRKBAG-UHFFFAOYSA-N 0 0 658.480 6.588 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)cc1 ZINC000409154865 1072602974 /nfs/dbraw/zinc/60/29/74/1072602974.db2.gz LAMXYYOJGPLELT-UUYOSTAYSA-N 0 0 529.540 5.797 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154551 1072604490 /nfs/dbraw/zinc/60/44/90/1072604490.db2.gz BIWIHGYMPUKIRG-XFAGBWLFSA-N 0 0 576.274 8.078 40 10 KKCBRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1 ZINC000409360778 1072605597 /nfs/dbraw/zinc/60/55/97/1072605597.db2.gz NHJSUBQYQGZPAV-ZQHSETAFSA-N 0 0 502.669 6.703 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409360510 1072607763 /nfs/dbraw/zinc/60/77/63/1072607763.db2.gz AJJGXJWVMNWRDI-YJFLJSCQSA-N 0 0 555.708 6.880 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409153347 1072612921 /nfs/dbraw/zinc/61/29/21/1072612921.db2.gz HUJPDZKVTYSRDW-XFAGBWLFSA-N 0 0 576.274 8.078 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)ccc1Cl ZINC000409153321 1072613088 /nfs/dbraw/zinc/61/30/88/1072613088.db2.gz HRZVWNHVNWOXTB-FSJBWODESA-N 0 0 572.470 6.253 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409358796 1072616688 /nfs/dbraw/zinc/61/66/88/1072616688.db2.gz MBRXMJNJBCUMEK-MXAYSNPKSA-N 0 0 606.523 6.485 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152302 1072619846 /nfs/dbraw/zinc/61/98/46/1072619846.db2.gz JOYIXKQUPHVCJZ-RNHFSVANSA-N 0 0 564.829 8.535 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409150903 1072626109 /nfs/dbraw/zinc/62/61/09/1072626109.db2.gz FLDDVBRZPNTEMH-RPPGKUMJSA-N 0 0 618.970 7.747 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)ccc1Cl ZINC000409149721 1072632975 /nfs/dbraw/zinc/63/29/75/1072632975.db2.gz OPCHJQMKNJAJOZ-RGVLZGJSSA-N 0 0 547.441 5.895 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409374851 1072634328 /nfs/dbraw/zinc/63/43/28/1072634328.db2.gz AKJQUPRQUDTZNJ-UNOMPAQXSA-N 0 0 525.433 5.490 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409149695 1072635167 /nfs/dbraw/zinc/63/51/67/1072635167.db2.gz NTGUWNRKGKFFKQ-QQXSKIMKSA-N 0 0 545.085 6.927 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149544 1072636018 /nfs/dbraw/zinc/63/60/18/1072636018.db2.gz JJGDREVXWRVLPU-UFFVCSGVSA-N 0 0 509.609 5.304 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409149551 1072636610 /nfs/dbraw/zinc/63/66/10/1072636610.db2.gz JQPJTORAGCDTTR-ZVBGSRNCSA-N 0 0 589.114 5.909 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c(Cl)c1 ZINC000409149389 1072637175 /nfs/dbraw/zinc/63/71/75/1072637175.db2.gz DWOQZJNQVNENPW-XKZIYDEJSA-N 0 0 513.015 5.913 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374136 1072639221 /nfs/dbraw/zinc/63/92/21/1072639221.db2.gz XSCXRYRCNDEHDL-VULFUBBASA-N 0 0 703.467 8.825 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000409148898 1072639315 /nfs/dbraw/zinc/63/93/15/1072639315.db2.gz UDTQNFRODFZISC-YUMHPJSZSA-N 0 0 528.655 5.893 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409374104 1072640615 /nfs/dbraw/zinc/64/06/15/1072640615.db2.gz XNQWEUJSOMARQK-CHHVJCJISA-N 0 0 518.831 5.602 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409373311 1072642315 /nfs/dbraw/zinc/64/23/15/1072642315.db2.gz UAWDBYPPAUDZGS-SSDVNMTOSA-N 0 0 594.929 7.172 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409148516 1072642891 /nfs/dbraw/zinc/64/28/91/1072642891.db2.gz ZDEISHNGMOEBFS-ONUIUJJFSA-N 0 0 538.739 6.774 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000409372773 1072644536 /nfs/dbraw/zinc/64/45/36/1072644536.db2.gz QLRWOABGYXZHQZ-NHDPSOOVSA-N 0 0 548.448 6.649 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409372927 1072644543 /nfs/dbraw/zinc/64/45/43/1072644543.db2.gz SKVKYAWXZOQHGA-UUYOSTAYSA-N 0 0 615.520 6.035 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S ZINC000409372400 1072645464 /nfs/dbraw/zinc/64/54/64/1072645464.db2.gz LKLPPITUXMOUIR-GIJQJNRQSA-N 0 0 569.835 6.753 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S ZINC000409372153 1072647025 /nfs/dbraw/zinc/64/70/25/1072647025.db2.gz PESJIOUWWMPFDK-AWQFTUOYSA-N 0 0 606.425 6.540 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409147734 1072647542 /nfs/dbraw/zinc/64/75/42/1072647542.db2.gz NLYWSQDMNPWVJH-TWKHWXDSSA-N 0 0 557.115 7.996 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409147649 1072648939 /nfs/dbraw/zinc/64/89/39/1072648939.db2.gz NCTSMLLSFZWXLZ-YSMPRRRNSA-N 0 0 530.606 5.522 40 10 KKCBRN CN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409147398 1072648979 /nfs/dbraw/zinc/64/89/79/1072648979.db2.gz WIPSBVNSSIWNPL-GRSHGNNSSA-N 0 0 507.862 5.967 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409371479 1072649619 /nfs/dbraw/zinc/64/96/19/1072649619.db2.gz IXQUKDRUGMRWRT-LZYBPNLTSA-N 0 0 624.309 5.943 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S ZINC000409371434 1072649726 /nfs/dbraw/zinc/64/97/26/1072649726.db2.gz JCWUTTWXPYOMID-AWQFTUOYSA-N 0 0 629.425 7.651 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409371259 1072650198 /nfs/dbraw/zinc/65/01/98/1072650198.db2.gz HIOAJDARUUKFFE-WSDLNYQXSA-N 0 0 560.484 6.519 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166150 1072650506 /nfs/dbraw/zinc/65/05/06/1072650506.db2.gz BSNQUYHOXFYORA-ANSQWYIGSA-N 0 0 604.328 8.695 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166161 1072650517 /nfs/dbraw/zinc/65/05/17/1072650517.db2.gz BSNQUYHOXFYORA-UDCNLSRBSA-N 0 0 604.328 8.695 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000409370633 1072652447 /nfs/dbraw/zinc/65/24/47/1072652447.db2.gz CMLAUYZKTHVUBA-NSIKDUERSA-N 0 0 504.804 5.299 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(F)F ZINC000409370725 1072652834 /nfs/dbraw/zinc/65/28/34/1072652834.db2.gz CUQXXPBCYVGUPL-CHHVJCJISA-N 0 0 520.366 5.541 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409165463 1072655045 /nfs/dbraw/zinc/65/50/45/1072655045.db2.gz YLXXSTJTFVDUIW-XFAGBWLFSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409369777 1072656775 /nfs/dbraw/zinc/65/67/75/1072656775.db2.gz WSLZVXWHDJEFQF-LSFURLLWSA-N 0 0 716.850 7.373 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S ZINC000409369298 1072658560 /nfs/dbraw/zinc/65/85/60/1072658560.db2.gz KDDKWHFFNWOYAE-NHDPSOOVSA-N 0 0 609.354 7.273 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409368636 1072663713 /nfs/dbraw/zinc/66/37/13/1072663713.db2.gz FRKLEZQGKNMLJG-ZVBGSRNCSA-N 0 0 629.374 7.826 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@H](C)CC ZINC000409368656 1072664206 /nfs/dbraw/zinc/66/42/06/1072664206.db2.gz GRXQNXQBUHTXJX-AYPRBGQRSA-N 0 0 540.494 6.507 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000409368297 1072664875 /nfs/dbraw/zinc/66/48/75/1072664875.db2.gz RJKLUBORMBCVGX-CIAFOILYSA-N 0 0 530.458 6.510 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409368019 1072666644 /nfs/dbraw/zinc/66/66/44/1072666644.db2.gz PYHLISSWWDYBOR-AUEPDCJTSA-N 0 0 643.401 8.216 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409368084 1072667272 /nfs/dbraw/zinc/66/72/72/1072667272.db2.gz MYGGHBXVTCHBPS-AWQFTUOYSA-N 0 0 722.695 8.689 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)SC1=S ZINC000409367744 1072668305 /nfs/dbraw/zinc/66/83/05/1072668305.db2.gz KGLJWLQSFOUHDW-QFEZKATASA-N 0 0 580.518 7.664 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409367585 1072669465 /nfs/dbraw/zinc/66/94/65/1072669465.db2.gz AZLWSVSLZPWCDB-VXLYETTFSA-N 0 0 549.417 6.408 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409367491 1072670400 /nfs/dbraw/zinc/67/04/00/1072670400.db2.gz BSJLHZBAELXTHS-AWQFTUOYSA-N 0 0 722.695 8.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409162388 1072671571 /nfs/dbraw/zinc/67/15/71/1072671571.db2.gz VBPYZDQHPVCCNQ-QRVIBDJDSA-N 0 0 543.041 5.921 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409161600 1072676193 /nfs/dbraw/zinc/67/61/93/1072676193.db2.gz WIYCLPSATZEACX-FBHDLOMBSA-N 0 0 534.852 6.729 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409161397 1072676775 /nfs/dbraw/zinc/67/67/75/1072676775.db2.gz UMNKSZVWRYDGTA-WYEJZRMESA-N 0 0 531.277 8.170 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)SC1=S ZINC000409378145 1072677290 /nfs/dbraw/zinc/67/72/90/1072677290.db2.gz MOQLNIMUWLPLBJ-NDENLUEZSA-N 0 0 563.336 7.165 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409161306 1072677752 /nfs/dbraw/zinc/67/77/52/1072677752.db2.gz MWRWQRKGOPBLDE-YDZHTSKRSA-N 0 0 607.968 7.479 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409161245 1072679325 /nfs/dbraw/zinc/67/93/25/1072679325.db2.gz LIKCYBLCQGOGAH-FOKLQQMPSA-N 0 0 614.587 5.881 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409160235 1072683624 /nfs/dbraw/zinc/68/36/24/1072683624.db2.gz FDIPMPOJNNSGEP-WKULSOCRSA-N 0 0 724.686 7.871 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160215 1072685138 /nfs/dbraw/zinc/68/51/38/1072685138.db2.gz WIBMZCBUQABUAS-XFAGBWLFSA-N 0 0 575.728 8.279 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)c(Cl)c1 ZINC000409159925 1072686568 /nfs/dbraw/zinc/68/65/68/1072686568.db2.gz BTHHSBVJYBIHRU-WSDLNYQXSA-N 0 0 608.366 7.190 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409158666 1072692849 /nfs/dbraw/zinc/69/28/49/1072692849.db2.gz PDQNDZSRWAVXTR-UAVUOLJFSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409158305 1072695551 /nfs/dbraw/zinc/69/55/51/1072695551.db2.gz OHPAJXDLOZIZGU-MPCDZSKCSA-N 0 0 571.855 7.433 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)o1 ZINC000409384693 1072696976 /nfs/dbraw/zinc/69/69/76/1072696976.db2.gz FGHUMLQCZKXJLS-AWQFTUOYSA-N 0 0 549.830 6.126 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166594 1072703721 /nfs/dbraw/zinc/70/37/21/1072703721.db2.gz DHXAIPSPXQFCFF-SWYRRKHMSA-N 0 0 535.438 7.388 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1F ZINC000409383027 1072703837 /nfs/dbraw/zinc/70/38/37/1072703837.db2.gz SXRGHYNJGDIVJH-UHFFFAOYSA-N 0 0 614.427 6.189 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S)c1ccccc1 ZINC000409176790 1072707218 /nfs/dbraw/zinc/70/72/18/1072707218.db2.gz XSWSQVQPMDLBEL-UDWIEESQSA-N 0 0 536.997 5.761 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409176422 1072707519 /nfs/dbraw/zinc/70/75/19/1072707519.db2.gz MVSIEONCMQHLIH-NCAUGAEKSA-N 0 0 614.749 5.458 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177101 1072708496 /nfs/dbraw/zinc/70/84/96/1072708496.db2.gz AQENRSRZDNTKJZ-AWQFTUOYSA-N 0 0 554.930 7.604 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409176606 1072710367 /nfs/dbraw/zinc/71/03/67/1072710367.db2.gz SLYQCKVAAZJCKH-IUXPMGMMSA-N 0 0 560.850 5.598 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409380899 1072715517 /nfs/dbraw/zinc/71/55/17/1072715517.db2.gz JQYGJXHMGLLCQU-WQRHYEAKSA-N 0 0 539.448 5.226 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N2 ZINC000409170066 1072747022 /nfs/dbraw/zinc/74/70/22/1072747022.db2.gz SIOGFLUJUAUDLS-MPCDZSKCSA-N 0 0 554.868 7.303 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409169533 1072749690 /nfs/dbraw/zinc/74/96/90/1072749690.db2.gz RKTHKFYVHKZGMX-YTZAWJCFSA-N 0 0 610.719 8.732 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C2=O)o1 ZINC000409398581 1072751839 /nfs/dbraw/zinc/75/18/39/1072751839.db2.gz DSDIPGREVRPTJE-JLPGSUDCSA-N 0 0 598.681 5.759 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409168890 1072752344 /nfs/dbraw/zinc/75/23/44/1072752344.db2.gz UWPUNVLUOHBICQ-JVWAILMASA-N 0 0 532.427 7.077 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C2=O)o1 ZINC000409398043 1072753351 /nfs/dbraw/zinc/75/33/51/1072753351.db2.gz BJRRFTHUEJCDML-YSMPRRRNSA-N 0 0 543.551 5.285 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=O)o1 ZINC000409401328 1072754011 /nfs/dbraw/zinc/75/40/11/1072754011.db2.gz SMWDMPGDEPFSHC-UUYOSTAYSA-N 0 0 538.387 5.777 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000409405993 1072760110 /nfs/dbraw/zinc/76/01/10/1072760110.db2.gz JDNOXUYHOZWVHT-NDENLUEZSA-N 0 0 511.347 5.027 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1Br ZINC000409405531 1072761658 /nfs/dbraw/zinc/76/16/58/1072761658.db2.gz HNOZPWNGGNZUDS-GRSHGNNSSA-N 0 0 606.698 6.304 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186274 1072762708 /nfs/dbraw/zinc/76/27/08/1072762708.db2.gz ZUONCIRKYGARGJ-MFWYCIKYSA-N 0 0 616.537 6.435 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)cc(C)cc2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186073 1072763146 /nfs/dbraw/zinc/76/31/46/1072763146.db2.gz WETLTNFPIAEJGK-RHDHFPJESA-N 0 0 589.761 7.005 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186116 1072763611 /nfs/dbraw/zinc/76/36/11/1072763611.db2.gz WVKXHORFOHEERR-WUZIEQONSA-N 0 0 728.267 7.074 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186117 1072763661 /nfs/dbraw/zinc/76/36/61/1072763661.db2.gz WVNWDXQCLLAJJH-WWXXKSMJSA-N 0 0 861.656 10.337 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186120 1072764150 /nfs/dbraw/zinc/76/41/50/1072764150.db2.gz WXTLYFOZLYLHBE-SCRXMSBISA-N 0 0 805.691 6.635 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186199 1072765017 /nfs/dbraw/zinc/76/50/17/1072765017.db2.gz YRCJJMVYTZMEBX-XUUPVQRLSA-N 0 0 775.665 6.626 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185937 1072765143 /nfs/dbraw/zinc/76/51/43/1072765143.db2.gz SWUVZQYXNDEMIL-GYFYKNLFSA-N 0 0 764.951 10.205 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185972 1072765474 /nfs/dbraw/zinc/76/54/74/1072765474.db2.gz UBODOVDXECHNMC-CTPIHLPESA-N 0 0 697.861 7.446 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185953 1072765495 /nfs/dbraw/zinc/76/54/95/1072765495.db2.gz TWIPNSFAKJPENZ-QTRRDAAQSA-N 0 0 703.733 7.156 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409185947 1072765519 /nfs/dbraw/zinc/76/55/19/1072765519.db2.gz SZMIIUHSOAZUCB-UCQKPKSFSA-N 0 0 568.413 5.109 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186000 1072765906 /nfs/dbraw/zinc/76/59/06/1072765906.db2.gz UUUDWNRNVVRXIJ-UJBYRJLJSA-N 0 0 854.723 8.180 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185816 1072766759 /nfs/dbraw/zinc/76/67/59/1072766759.db2.gz QOAKYJSPNYGTOO-JPXNXDTOSA-N 0 0 719.705 8.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185777 1072766775 /nfs/dbraw/zinc/76/67/75/1072766775.db2.gz PZWSZYVQKIUAFO-FFLVAILTSA-N 0 0 686.628 6.860 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185846 1072767172 /nfs/dbraw/zinc/76/71/72/1072767172.db2.gz RGSZYUXJTXXFQJ-VTVCXAHJSA-N 0 0 653.804 7.659 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185830 1072767232 /nfs/dbraw/zinc/76/72/32/1072767232.db2.gz QYAMJUAUWRINKP-OUQGZGRZSA-N 0 0 824.697 8.172 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185877 1072767681 /nfs/dbraw/zinc/76/76/81/1072767681.db2.gz RVBVMCQSAKZGNS-PTAUTPSXSA-N 0 0 619.787 7.115 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185656 1072768542 /nfs/dbraw/zinc/76/85/42/1072768542.db2.gz ODOXZOQFJYPXRN-HMULSRIRSA-N 0 0 767.145 9.075 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185718 1072768878 /nfs/dbraw/zinc/76/88/78/1072768878.db2.gz PAWMHZYBXRTYFC-DKDMBQFYSA-N 0 0 780.716 8.569 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409403728 1072770164 /nfs/dbraw/zinc/77/01/64/1072770164.db2.gz AXGRMOHISVBTSG-ZDLGFXPLSA-N 0 0 609.247 6.037 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185552 1072770242 /nfs/dbraw/zinc/77/02/42/1072770242.db2.gz MJNNPTPJRNSUHK-DKDMBQFYSA-N 0 0 752.720 8.974 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185585 1072770297 /nfs/dbraw/zinc/77/02/97/1072770297.db2.gz MWQHCNYEXXSAIJ-MASHFGSSSA-N 0 0 791.584 10.272 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185618 1072770698 /nfs/dbraw/zinc/77/06/98/1072770698.db2.gz NLVGIMFPNIHYCV-MQDOJECHSA-N 0 0 823.753 8.662 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185201 1072771647 /nfs/dbraw/zinc/77/16/47/1072771647.db2.gz KGUVWNBVOUGCFF-RQBSVBTHSA-N 0 0 801.590 9.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185103 1072772045 /nfs/dbraw/zinc/77/20/45/1072772045.db2.gz JDUNVRPZMYSNDS-OJBQBBGCSA-N 0 0 670.231 7.531 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185156 1072772516 /nfs/dbraw/zinc/77/25/16/1072772516.db2.gz JXRXAVSTTNZNBL-MDIMXAQTSA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184825 1072774499 /nfs/dbraw/zinc/77/44/99/1072774499.db2.gz HYPGZCXZCRQGMG-LVNAQTPMSA-N 0 0 607.732 6.184 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409184737 1072775837 /nfs/dbraw/zinc/77/58/37/1072775837.db2.gz MIFBLMINISYPAB-UDWIEESQSA-N 0 0 588.831 5.372 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)c3C)C2=O)o1 ZINC000409402517 1072776246 /nfs/dbraw/zinc/77/62/46/1072776246.db2.gz WAZMVEBORNFXTN-YSMPRRRNSA-N 0 0 603.031 5.238 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409184435 1072777737 /nfs/dbraw/zinc/77/77/37/1072777737.db2.gz WUUXSGYWMNYLBV-SRZZPIQSSA-N 0 0 500.960 6.372 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184065 1072779014 /nfs/dbraw/zinc/77/90/14/1072779014.db2.gz DYJWYDGXZCWYDC-JZGFOJACSA-N 0 0 790.780 9.128 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184123 1072779529 /nfs/dbraw/zinc/77/95/29/1072779529.db2.gz FICRRTFBDBQITD-SBLWOHCOSA-N 0 0 703.864 8.812 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184154 1072779534 /nfs/dbraw/zinc/77/95/34/1072779534.db2.gz FLMPFDGCYVNDOT-QTIFJBHCSA-N 0 0 856.593 9.092 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409183935 1072779868 /nfs/dbraw/zinc/77/98/68/1072779868.db2.gz GGNMILNFDWMCOW-WSDLNYQXSA-N 0 0 626.312 5.705 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183995 1072780381 /nfs/dbraw/zinc/78/03/81/1072780381.db2.gz DRHNIGBTAYRXAR-YBJTWJPCSA-N 0 0 561.707 6.388 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(CC)CC)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183997 1072780396 /nfs/dbraw/zinc/78/03/96/1072780396.db2.gz DRQUAVBCLOSBQW-QBBSHHTKSA-N 0 0 608.764 6.519 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409183820 1072781239 /nfs/dbraw/zinc/78/12/39/1072781239.db2.gz VEAXWWFRPRQSBV-SSDVNMTOSA-N 0 0 530.986 6.381 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409183848 1072781353 /nfs/dbraw/zinc/78/13/53/1072781353.db2.gz VMRWKIJPCGHVDB-SRZZPIQSSA-N 0 0 500.960 6.372 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183587 1072781677 /nfs/dbraw/zinc/78/16/77/1072781677.db2.gz CBWUGCCBZVTMER-VJJKPSKZSA-N 0 0 688.249 8.312 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183625 1072781688 /nfs/dbraw/zinc/78/16/88/1072781688.db2.gz CPZDGYFFYVNSEB-VCXKHQBPSA-N 0 0 640.809 7.487 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183620 1072781735 /nfs/dbraw/zinc/78/17/35/1072781735.db2.gz CPNNHFFOWRONNR-GWMWMCKKSA-N 0 0 654.836 7.796 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183611 1072781773 /nfs/dbraw/zinc/78/17/73/1072781773.db2.gz CKYBXHIJYPWHBC-DKDMBQFYSA-N 0 0 919.623 9.176 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183724 1072782633 /nfs/dbraw/zinc/78/26/33/1072782633.db2.gz DFEWKPVWMUENOC-CANMUUBZSA-N 0 0 577.706 6.088 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183566 1072783441 /nfs/dbraw/zinc/78/34/41/1072783441.db2.gz BYMWEIUBCCVQFG-PNSPEURLSA-N 0 0 715.832 7.404 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183301 1072783528 /nfs/dbraw/zinc/78/35/28/1072783528.db2.gz BEWMDZLMUBVKOK-FZLKQKSASA-N 0 0 776.753 8.820 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(C)cc5)cc4)c3C)C2=O)o1 ZINC000409400808 1072784355 /nfs/dbraw/zinc/78/43/55/1072784355.db2.gz RAROSUUYSMVOFG-YUMHPJSZSA-N 0 0 539.588 5.454 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183174 1072784419 /nfs/dbraw/zinc/78/44/19/1072784419.db2.gz ARPXBLVHXYBWSH-QBMFFJCHSA-N 0 0 700.213 6.294 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000409400827 1072784825 /nfs/dbraw/zinc/78/48/25/1072784825.db2.gz UNOYYZNFELZASQ-SWKFRHMKSA-N 0 0 553.618 6.449 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409183016 1072785845 /nfs/dbraw/zinc/78/58/45/1072785845.db2.gz RJIBYLVFAKEGRY-KKMKTNMSSA-N 0 0 632.997 8.055 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181769 1072795212 /nfs/dbraw/zinc/79/52/12/1072795212.db2.gz DNSPABDPSAEEGJ-BCECABNSSA-N 0 0 658.799 7.626 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)cc(OC)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181777 1072795473 /nfs/dbraw/zinc/79/54/73/1072795473.db2.gz DSJXNILAXYLAEF-JIIYESLPSA-N 0 0 672.601 6.557 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181776 1072795583 /nfs/dbraw/zinc/79/55/83/1072795583.db2.gz DSEZAMCHDJMIAJ-YGWFUGNTSA-N 0 0 697.857 7.976 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409181112 1072799394 /nfs/dbraw/zinc/79/93/94/1072799394.db2.gz WRHXVOHLPDCGKH-NUGSKGIGSA-N 0 0 547.891 8.195 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180319 1072804830 /nfs/dbraw/zinc/80/48/30/1072804830.db2.gz WHOACCOZFAXKKE-AQHIEDMUSA-N 0 0 531.436 7.680 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409179850 1072807876 /nfs/dbraw/zinc/80/78/76/1072807876.db2.gz OJGYFQDZICZNMW-RMORIDSASA-N 0 0 547.891 8.195 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409179560 1072809488 /nfs/dbraw/zinc/80/94/88/1072809488.db2.gz SGKRNNDRRCYITM-FBHDLOMBSA-N 0 0 565.025 5.869 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S)c1ccccc1 ZINC000409179185 1072812340 /nfs/dbraw/zinc/81/23/40/1072812340.db2.gz KPLHFCBOBNGAJI-BKUYFWCQSA-N 0 0 543.439 5.713 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178956 1072813246 /nfs/dbraw/zinc/81/32/46/1072813246.db2.gz LFFVBLFQDNYRGO-AWQFTUOYSA-N 0 0 531.930 6.494 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409178636 1072814706 /nfs/dbraw/zinc/81/47/06/1072814706.db2.gz LRZMWMWQRABPIE-WSDLNYQXSA-N 0 0 578.912 7.625 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409178227 1072817892 /nfs/dbraw/zinc/81/78/92/1072817892.db2.gz LHHHCYYHVBQILL-HYARGMPZSA-N 0 0 661.499 5.723 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409177519 1072822265 /nfs/dbraw/zinc/82/22/65/1072822265.db2.gz GNGTZNIPFZTVGF-ZMOGYAJESA-N 0 0 573.067 6.310 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1C ZINC000409196871 1072828011 /nfs/dbraw/zinc/82/80/11/1072828011.db2.gz ZLYKZRTWEKWHTQ-FSJBWODESA-N 0 0 632.399 7.252 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409197146 1072828086 /nfs/dbraw/zinc/82/80/86/1072828086.db2.gz WYJJICXZOPSAGY-UFFVCSGVSA-N 0 0 568.345 7.291 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 ZINC000409196658 1072830235 /nfs/dbraw/zinc/83/02/35/1072830235.db2.gz XIJBBLUEGRVLIS-KEBDBYFISA-N 0 0 558.391 6.464 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC ZINC000409196454 1072831180 /nfs/dbraw/zinc/83/11/80/1072831180.db2.gz VYDUKZIQBOGSPE-WQRHYEAKSA-N 0 0 557.329 6.805 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409195912 1072834583 /nfs/dbraw/zinc/83/45/83/1072834583.db2.gz SJUMMFRKQRKHBK-RGVLZGJSSA-N 0 0 734.216 7.643 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409195400 1072838003 /nfs/dbraw/zinc/83/80/03/1072838003.db2.gz PODFQSXLCQPZPP-HMAPJEAMSA-N 0 0 616.502 5.733 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1Cl ZINC000409195407 1072838100 /nfs/dbraw/zinc/83/81/00/1072838100.db2.gz PSBXAJDEHAUFLY-MYYYXRDXSA-N 0 0 521.063 6.788 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409195188 1072838664 /nfs/dbraw/zinc/83/86/64/1072838664.db2.gz NIZNQPFSETVSHO-UCQKPKSFSA-N 0 0 603.503 6.602 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409194734 1072841053 /nfs/dbraw/zinc/84/10/53/1072841053.db2.gz LTFGMIVOBKCROA-LPYMAVHISA-N 0 0 652.373 7.437 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409194492 1072843584 /nfs/dbraw/zinc/84/35/84/1072843584.db2.gz MIANWAFQWWYJQS-BUVRLJJBSA-N 0 0 521.664 5.367 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000409194343 1072844716 /nfs/dbraw/zinc/84/47/16/1072844716.db2.gz KFJOYQZYNFKCNP-SRZZPIQSSA-N 0 0 595.765 7.850 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409194040 1072846384 /nfs/dbraw/zinc/84/63/84/1072846384.db2.gz KOZYMKSBBUWBPL-LPYMAVHISA-N 0 0 591.467 6.732 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC(C)C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409192185 1072857759 /nfs/dbraw/zinc/85/77/59/1072857759.db2.gz BGVLSMGVLFVRCM-NULZLWRNSA-N 0 0 634.154 5.343 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409191309 1072864043 /nfs/dbraw/zinc/86/40/43/1072864043.db2.gz VBEXHLCGORYVBX-WKULSOCRSA-N 0 0 543.132 8.456 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188367 1072883223 /nfs/dbraw/zinc/88/32/23/1072883223.db2.gz YPSPPTZBJWVJFL-LPYMAVHISA-N 0 0 526.228 6.597 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409207133 1072886601 /nfs/dbraw/zinc/88/66/01/1072886601.db2.gz SEVDBXKRIRNWKE-SSDVNMTOSA-N 0 0 642.367 7.900 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409207083 1072888170 /nfs/dbraw/zinc/88/81/70/1072888170.db2.gz OOKUSYYIWHTORX-RQZCQDPDSA-N 0 0 557.285 5.559 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc2N1c1ccccc1 ZINC000409206522 1072891009 /nfs/dbraw/zinc/89/10/09/1072891009.db2.gz KLQCFCYHPSCGKU-OVVQPSECSA-N 0 0 505.415 7.671 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409206169 1072893904 /nfs/dbraw/zinc/89/39/04/1072893904.db2.gz IDDREFUANWAJAD-UUYOSTAYSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409205584 1072897543 /nfs/dbraw/zinc/89/75/43/1072897543.db2.gz QVPPARWKTMVRSP-FSJBWODESA-N 0 0 570.048 5.690 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000409205057 1072900023 /nfs/dbraw/zinc/90/00/23/1072900023.db2.gz NUXQXFGDJAXAPC-PXLXIMEGSA-N 0 0 542.476 7.072 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409203994 1072907961 /nfs/dbraw/zinc/90/79/61/1072907961.db2.gz AYFCMCFWIJTWGD-NHDPSOOVSA-N 0 0 579.310 7.336 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000409203251 1072910419 /nfs/dbraw/zinc/91/04/19/1072910419.db2.gz XDHFKSYRQSMKLC-HZHRSRAPSA-N 0 0 502.617 5.505 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409199185 1072926957 /nfs/dbraw/zinc/92/69/57/1072926957.db2.gz HKTRMMMASYVHKQ-SRZZPIQSSA-N 0 0 670.242 7.968 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)ccc1Cl ZINC000409198624 1072928370 /nfs/dbraw/zinc/92/83/70/1072928370.db2.gz CINPTJNDRIRIQK-SRZZPIQSSA-N 0 0 513.980 5.911 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409198550 1072929448 /nfs/dbraw/zinc/92/94/48/1072929448.db2.gz HUFOHNRLAHYMMY-WSDLNYQXSA-N 0 0 639.818 8.249 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000409198266 1072931436 /nfs/dbraw/zinc/93/14/36/1072931436.db2.gz BHURIEDHCXYRHL-LGUFXXKBSA-N 0 0 522.670 7.430 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409197519 1072935203 /nfs/dbraw/zinc/93/52/03/1072935203.db2.gz HQZZXGYXXCLTCU-CIAFOILYSA-N 0 0 608.377 6.755 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409197582 1072935551 /nfs/dbraw/zinc/93/55/51/1072935551.db2.gz JGFGIPWLEIBYMA-SRZZPIQSSA-N 0 0 625.791 7.858 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409208322 1072938594 /nfs/dbraw/zinc/93/85/94/1072938594.db2.gz APSGUJKABUGOOP-JFLMPSFJSA-N 0 0 549.479 8.221 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409207623 1072942329 /nfs/dbraw/zinc/94/23/29/1072942329.db2.gz YYYHSPOUOPXPDA-MFKUBSTISA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409214757 1072951676 /nfs/dbraw/zinc/95/16/76/1072951676.db2.gz UGOSTPSZVVTYFT-JFLMPSFJSA-N 0 0 533.024 7.707 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409226400 1072974025 /nfs/dbraw/zinc/97/40/25/1072974025.db2.gz NPKFAIKPFHQMNL-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409224487 1072982813 /nfs/dbraw/zinc/98/28/13/1072982813.db2.gz HWPIEPMRACUHBB-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409223902 1072985354 /nfs/dbraw/zinc/98/53/54/1072985354.db2.gz GPBPJNUSTXPDJJ-QFEZKATASA-N 0 0 568.120 6.146 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409222598 1072991840 /nfs/dbraw/zinc/99/18/40/1072991840.db2.gz CECCKTAGBDKKNA-RDRPBHBLSA-N 0 0 595.681 6.247 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2Cl)c(C)c1 ZINC000409222032 1072995517 /nfs/dbraw/zinc/99/55/17/1072995517.db2.gz BGEYENUBUVVCHA-ROTLSHHCSA-N 0 0 567.088 6.104 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409221514 1072999121 /nfs/dbraw/zinc/99/91/21/1072999121.db2.gz RHYNTCYISGATOM-QRVIBDJDSA-N 0 0 587.492 6.329 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409221358 1073000214 /nfs/dbraw/zinc/00/02/14/1073000214.db2.gz PEMWHXSXTNINNE-JAIQZWGSSA-N 0 0 583.957 6.438 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409221160 1073000412 /nfs/dbraw/zinc/00/04/12/1073000412.db2.gz LUCWTUIAIDSPMV-HMAPJEAMSA-N 0 0 569.502 6.189 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)ccc1Br ZINC000409221131 1073000433 /nfs/dbraw/zinc/00/04/33/1073000433.db2.gz LHAHUOINGOXAPR-XKZIYDEJSA-N 0 0 557.466 6.320 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1Cl ZINC000409221068 1073001373 /nfs/dbraw/zinc/00/13/73/1073001373.db2.gz KLMFNPQPWWCXGN-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219959 1073006514 /nfs/dbraw/zinc/00/65/14/1073006514.db2.gz WWJUTWULCVMZNV-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN O=C(COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409217530 1073015346 /nfs/dbraw/zinc/01/53/46/1073015346.db2.gz CWZSUJXWWRQRHI-UHFFFAOYSA-N 0 0 620.876 7.248 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409229667 1073019549 /nfs/dbraw/zinc/01/95/49/1073019549.db2.gz SPQGRBIFLNXABY-SAHIIKMKSA-N 0 0 553.105 6.719 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409229503 1073020218 /nfs/dbraw/zinc/02/02/18/1073020218.db2.gz PZLBKFUYNZLSSU-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409228673 1073026507 /nfs/dbraw/zinc/02/65/07/1073026507.db2.gz CJUDCYXFYGARGW-UMUMUWHJSA-N 0 0 577.522 5.164 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409228504 1073027569 /nfs/dbraw/zinc/02/75/69/1073027569.db2.gz ATXQVSBRVGESHI-CFRMEGHHSA-N 0 0 587.550 7.296 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409228274 1073027694 /nfs/dbraw/zinc/02/76/94/1073027694.db2.gz WPRWALDNOSCCKV-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409228394 1073028048 /nfs/dbraw/zinc/02/80/48/1073028048.db2.gz YIGOGZRLRQOGAL-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409228359 1073028225 /nfs/dbraw/zinc/02/82/25/1073028225.db2.gz XUMRZOSKHPAUSD-PCLIKHOPSA-N 0 0 555.494 6.508 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409228156 1073028661 /nfs/dbraw/zinc/02/86/61/1073028661.db2.gz UUYQOPZAIMDTTL-IMRQLAEWSA-N 0 0 573.095 7.556 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1 ZINC000409237161 1073034487 /nfs/dbraw/zinc/03/44/87/1073034487.db2.gz HVFWTLGWJLYPFL-SSDVNMTOSA-N 0 0 530.433 6.085 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409236387 1073039559 /nfs/dbraw/zinc/03/95/59/1073039559.db2.gz FOKAAIXUFPJLOB-MYYYXRDXSA-N 0 0 587.550 6.854 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409236389 1073039657 /nfs/dbraw/zinc/03/96/57/1073039657.db2.gz FPBQPFQTHLLDKF-IMRQLAEWSA-N 0 0 560.741 6.472 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409235851 1073042895 /nfs/dbraw/zinc/04/28/95/1073042895.db2.gz COQXCXULWZLCFS-XYGWBWBKSA-N 0 0 553.105 6.200 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)c(C)c1 ZINC000409235696 1073043797 /nfs/dbraw/zinc/04/37/97/1073043797.db2.gz CYLTWTHKGRUTEE-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409235525 1073044271 /nfs/dbraw/zinc/04/42/71/1073044271.db2.gz BTSRYAYKYFKNIX-YSMPRRRNSA-N 0 0 582.147 6.536 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409235295 1073044755 /nfs/dbraw/zinc/04/47/55/1073044755.db2.gz ZNBUUBDGGZKNEL-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409235244 1073046119 /nfs/dbraw/zinc/04/61/19/1073046119.db2.gz ZFOOXNZWSSDNAE-MFKUBSTISA-N 0 0 514.423 6.162 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1Cl ZINC000409234123 1073051012 /nfs/dbraw/zinc/05/10/12/1073051012.db2.gz MBLANMNHBBNPEN-UYOCIXKTSA-N 0 0 563.915 7.379 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409233966 1073051887 /nfs/dbraw/zinc/05/18/87/1073051887.db2.gz VAHWOKDZDFVZOA-ODLFYWEKSA-N 0 0 582.485 5.155 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)SC1=S ZINC000409233613 1073054976 /nfs/dbraw/zinc/05/49/76/1073054976.db2.gz TWOGWMBRTSJTFB-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409233444 1073055496 /nfs/dbraw/zinc/05/54/96/1073055496.db2.gz KLWZEVJMGJJZQV-FJEPWZHXSA-N 0 0 600.184 7.890 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409233269 1073056525 /nfs/dbraw/zinc/05/65/25/1073056525.db2.gz FBRVWRAYENNVLX-WMWHPZEKSA-N 0 0 583.529 6.438 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1Cl ZINC000409232621 1073060809 /nfs/dbraw/zinc/06/08/09/1073060809.db2.gz RULLUPBKVLEYQK-QRQIAZFYSA-N 0 0 587.122 7.864 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409232091 1073062802 /nfs/dbraw/zinc/06/28/02/1073062802.db2.gz GYKUHWZSCJBEMM-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409231792 1073063482 /nfs/dbraw/zinc/06/34/82/1073063482.db2.gz KRTQHAMMZSDKHJ-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409230842 1073067992 /nfs/dbraw/zinc/06/79/92/1073067992.db2.gz GGUNBDQYMTXYBC-SDPDQUOZSA-N 0 0 586.657 7.084 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409230408 1073070483 /nfs/dbraw/zinc/07/04/83/1073070483.db2.gz DDRCUQKFUSWSGS-FBHDLOMBSA-N 0 0 566.985 6.921 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409237306 1073071194 /nfs/dbraw/zinc/07/11/94/1073071194.db2.gz HWKDSYBPZIXSFH-WGOQTCKBSA-N 0 0 545.020 6.904 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)SC1=S ZINC000409247178 1073072154 /nfs/dbraw/zinc/07/21/54/1073072154.db2.gz GRWQDPIQHNDTAG-ODLFYWEKSA-N 0 0 569.930 6.130 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409247044 1073072938 /nfs/dbraw/zinc/07/29/38/1073072938.db2.gz GABUSPYTWBRQEZ-MYYYXRDXSA-N 0 0 582.147 6.455 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409246553 1073075535 /nfs/dbraw/zinc/07/55/35/1073075535.db2.gz CSHPVWFXYADLKL-MTJSOVHGSA-N 0 0 577.566 6.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409246381 1073076463 /nfs/dbraw/zinc/07/64/63/1073076463.db2.gz HMDMOVLUEKGEOX-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409246378 1073076556 /nfs/dbraw/zinc/07/65/56/1073076556.db2.gz HLBXKIQMVBYQJY-WGOQTCKBSA-N 0 0 537.576 5.000 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409245962 1073079660 /nfs/dbraw/zinc/07/96/60/1073079660.db2.gz BOYIASXDXFRCSV-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409245602 1073083211 /nfs/dbraw/zinc/08/32/11/1073083211.db2.gz WJRUYGJDZUFCIC-ULJHMMPZSA-N 0 0 553.105 6.200 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409245576 1073083247 /nfs/dbraw/zinc/08/32/47/1073083247.db2.gz WAOKPRCLXJSFJU-UCQKPKSFSA-N 0 0 557.068 6.610 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409245107 1073085327 /nfs/dbraw/zinc/08/53/27/1073085327.db2.gz NNNMSIJAHJZNEZ-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409244936 1073086142 /nfs/dbraw/zinc/08/61/42/1073086142.db2.gz KSLITXMGEXKOSE-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OCC)cc1 ZINC000409244973 1073086153 /nfs/dbraw/zinc/08/61/53/1073086153.db2.gz LNAMQCKPNWXFEQ-YSMPRRRNSA-N 0 0 583.131 6.869 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409244625 1073087333 /nfs/dbraw/zinc/08/73/33/1073087333.db2.gz GLOUXWSFUNJTMW-WKULSOCRSA-N 0 0 560.481 7.381 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409244132 1073090260 /nfs/dbraw/zinc/09/02/60/1073090260.db2.gz YGHZZTFYOBKHHV-IWIPYMOSSA-N 0 0 572.630 6.836 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)SC1=S ZINC000409244121 1073090274 /nfs/dbraw/zinc/09/02/74/1073090274.db2.gz YCLPYARXWWYSKX-STZFKDTASA-N 0 0 549.512 5.867 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409243677 1073092026 /nfs/dbraw/zinc/09/20/26/1073092026.db2.gz XODPRVBYUBNOFA-WKULSOCRSA-N 0 0 526.080 7.313 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409242659 1073096178 /nfs/dbraw/zinc/09/61/78/1073096178.db2.gz SBLCQJUVDQVISV-XKZIYDEJSA-N 0 0 511.363 5.100 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2OC)cc1 ZINC000409242048 1073098786 /nfs/dbraw/zinc/09/87/86/1073098786.db2.gz UEBBMQJYVXBCQW-ONUIUJJFSA-N 0 0 563.701 5.583 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409241273 1073102140 /nfs/dbraw/zinc/10/21/40/1073102140.db2.gz JYEWXEQVDRTSKT-QRVIBDJDSA-N 0 0 587.517 6.168 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1Cl ZINC000409241154 1073103194 /nfs/dbraw/zinc/10/31/94/1073103194.db2.gz JCALVNFALUFOIH-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409240744 1073106202 /nfs/dbraw/zinc/10/62/02/1073106202.db2.gz HRDMBLJJVZXNKY-XKZIYDEJSA-N 0 0 577.486 6.955 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000409240778 1073106277 /nfs/dbraw/zinc/10/62/77/1073106277.db2.gz PTXFXAHEVABVCD-JCMHNJIXSA-N 0 0 577.566 6.429 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1Cl ZINC000409240669 1073107729 /nfs/dbraw/zinc/10/77/29/1073107729.db2.gz QXHHFKZGSVERAP-UYOCIXKTSA-N 0 0 563.915 7.379 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)ccc1Br ZINC000409240296 1073109434 /nfs/dbraw/zinc/10/94/34/1073109434.db2.gz GHZGKADIEIWEGN-IWIPYMOSSA-N 0 0 582.545 6.247 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409240056 1073111421 /nfs/dbraw/zinc/11/14/21/1073111421.db2.gz JGMZLBZHBNNQLG-QFEZKATASA-N 0 0 587.550 7.378 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)SC1=S ZINC000409239496 1073114911 /nfs/dbraw/zinc/11/49/11/1073114911.db2.gz NUEJJFUXIJWZLO-MOSHPQCFSA-N 0 0 549.512 5.321 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409239215 1073115003 /nfs/dbraw/zinc/11/50/03/1073115003.db2.gz CLNFXFSZQQAQID-CFRMEGHHSA-N 0 0 555.077 6.089 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1C ZINC000409238924 1073116404 /nfs/dbraw/zinc/11/64/04/1073116404.db2.gz OMQPXXBRZVRWSA-YDZHTSKRSA-N 0 0 538.025 5.518 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409238707 1073118903 /nfs/dbraw/zinc/11/89/03/1073118903.db2.gz NMHIUVSFSHCMNI-QQXSKIMKSA-N 0 0 582.147 6.536 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409238598 1073119778 /nfs/dbraw/zinc/11/97/78/1073119778.db2.gz FAYFKKSLGVWSGZ-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409238305 1073121283 /nfs/dbraw/zinc/12/12/83/1073121283.db2.gz WUNWHHIMJSDWLE-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409238307 1073121866 /nfs/dbraw/zinc/12/18/66/1073121866.db2.gz WUXDYNGSXKYGMI-XYGWBWBKSA-N 0 0 583.131 6.733 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409237751 1073123956 /nfs/dbraw/zinc/12/39/56/1073123956.db2.gz LLOHSTXKUILLEL-UCQKPKSFSA-N 0 0 558.603 6.446 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409237736 1073125951 /nfs/dbraw/zinc/12/59/51/1073125951.db2.gz LHQPUIXRRPLYSN-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409250651 1073133953 /nfs/dbraw/zinc/13/39/53/1073133953.db2.gz MIUBPTNDKMYASK-ODLFYWEKSA-N 0 0 521.458 5.005 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409250541 1073134844 /nfs/dbraw/zinc/13/48/44/1073134844.db2.gz QYZPUBNUCDKYKA-MYYYXRDXSA-N 0 0 569.104 6.479 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409250511 1073134912 /nfs/dbraw/zinc/13/49/12/1073134912.db2.gz MQUSAHVRYCFNQI-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)SC1=S ZINC000409250244 1073137094 /nfs/dbraw/zinc/13/70/94/1073137094.db2.gz QDNGPCSGZLQZIP-ODLFYWEKSA-N 0 0 582.485 5.155 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409249718 1073140832 /nfs/dbraw/zinc/14/08/32/1073140832.db2.gz VHKAOZOLCOCWHC-DIBXZPPDSA-N 0 0 576.696 5.521 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1Cl ZINC000409249458 1073141286 /nfs/dbraw/zinc/14/12/86/1073141286.db2.gz IOOBRHBFQCMTHD-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409249037 1073144269 /nfs/dbraw/zinc/14/42/69/1073144269.db2.gz GIDGDFXLEAJPQE-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409249003 1073144293 /nfs/dbraw/zinc/14/42/93/1073144293.db2.gz IBVDFDJIPVEULW-MZJWZYIUSA-N 0 0 623.087 6.031 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409248479 1073148395 /nfs/dbraw/zinc/14/83/95/1073148395.db2.gz KQYOPCIYMUFJLG-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409248138 1073150116 /nfs/dbraw/zinc/15/01/16/1073150116.db2.gz CEICSHVORRRIFQ-OVZSPSEASA-N 0 0 532.687 6.374 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OCC)c2)SC1=S ZINC000409247852 1073151286 /nfs/dbraw/zinc/15/12/86/1073151286.db2.gz DARLOOMAYAJLTF-MOSHPQCFSA-N 0 0 539.506 6.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409247798 1073153005 /nfs/dbraw/zinc/15/30/05/1073153005.db2.gz BHGRWZQIDMUGPP-IWIPYMOSSA-N 0 0 520.632 5.517 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)SC1=S ZINC000409247664 1073153696 /nfs/dbraw/zinc/15/36/96/1073153696.db2.gz AAPYQGKOWBQBAX-HMAPJEAMSA-N 0 0 519.088 6.066 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409247449 1073154167 /nfs/dbraw/zinc/15/41/67/1073154167.db2.gz CHKZBCLSEJNVDZ-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255293 1073156219 /nfs/dbraw/zinc/15/62/19/1073156219.db2.gz GZSCRIYFVCQVOD-OCKHKDLRSA-N 0 0 525.479 5.938 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409257033 1073157792 /nfs/dbraw/zinc/15/77/92/1073157792.db2.gz NMSMHHNGQTYVPR-TVPGTPATSA-N 0 0 548.267 5.271 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)c1 ZINC000409256924 1073158699 /nfs/dbraw/zinc/15/86/99/1073158699.db2.gz OFCGBOUSCPPFNC-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409256860 1073160136 /nfs/dbraw/zinc/16/01/36/1073160136.db2.gz MOAUIKDZVYOIRF-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409256320 1073161004 /nfs/dbraw/zinc/16/10/04/1073161004.db2.gz NPXHFLURAZJXKA-XYGWBWBKSA-N 0 0 537.106 6.418 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cccc4C)c3)SC2=S)cc1Cl ZINC000409256030 1073163246 /nfs/dbraw/zinc/16/32/46/1073163246.db2.gz NNEWZJDUIIDKHU-QRVIBDJDSA-N 0 0 523.079 6.689 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409255623 1073166305 /nfs/dbraw/zinc/16/63/05/1073166305.db2.gz IARQAEWNERBTCD-JMIUGGIZSA-N 0 0 525.479 6.019 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409255630 1073166666 /nfs/dbraw/zinc/16/66/66/1073166666.db2.gz ICJQPKKZBVPKPJ-UNOMPAQXSA-N 0 0 541.478 5.257 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409254884 1073169530 /nfs/dbraw/zinc/16/95/30/1073169530.db2.gz JKKJFOGEQBHIEN-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409254577 1073171332 /nfs/dbraw/zinc/17/13/32/1073171332.db2.gz IDBZWAKCABRMFP-QRVIBDJDSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(OC)c4)c3)SC2=S)cc1 ZINC000409254284 1073173432 /nfs/dbraw/zinc/17/34/32/1073173432.db2.gz WVBFZWLOXDARLH-IWIPYMOSSA-N 0 0 520.632 5.517 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000409254279 1073173529 /nfs/dbraw/zinc/17/35/29/1073173529.db2.gz IEFIWVYPCGPMGU-YNJLWJOVSA-N 0 0 523.079 6.628 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409254384 1073174668 /nfs/dbraw/zinc/17/46/68/1073174668.db2.gz ZARSATVMUJHXPZ-UHFFFAOYSA-N 0 0 596.039 6.340 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409254120 1073175438 /nfs/dbraw/zinc/17/54/38/1073175438.db2.gz HRPMGPDEEVXTHH-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254034 1073176740 /nfs/dbraw/zinc/17/67/40/1073176740.db2.gz HJRBTTAHJJTISH-MFOYZWKCSA-N 0 0 541.876 5.350 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)c1 ZINC000409253694 1073178538 /nfs/dbraw/zinc/17/85/38/1073178538.db2.gz GIRVMRLJTKWICJ-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409253793 1073179617 /nfs/dbraw/zinc/17/96/17/1073179617.db2.gz CCVBXRJLIUDUJW-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253244 1073181610 /nfs/dbraw/zinc/18/16/10/1073181610.db2.gz FICWQAJGYWKINM-UHFFFAOYSA-N 0 0 701.517 6.518 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)c(C)c1 ZINC000409252717 1073185697 /nfs/dbraw/zinc/18/56/97/1073185697.db2.gz VAKYEAMNYZHQGW-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 ZINC000409252523 1073186050 /nfs/dbraw/zinc/18/60/50/1073186050.db2.gz SXYOVJQBIFNRLH-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409252625 1073187009 /nfs/dbraw/zinc/18/70/09/1073187009.db2.gz SYIMAEHFOBWRTI-WGARJPEWSA-N 0 0 562.669 5.541 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409252420 1073187522 /nfs/dbraw/zinc/18/75/22/1073187522.db2.gz RUDFGXSKCMQSAP-JAIQZWGSSA-N 0 0 555.505 5.566 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OCC)c2)SC1=S ZINC000409252415 1073187530 /nfs/dbraw/zinc/18/75/30/1073187530.db2.gz XTAXSASGIQYOAM-HMAPJEAMSA-N 0 0 563.539 6.175 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409252276 1073188761 /nfs/dbraw/zinc/18/87/61/1073188761.db2.gz XBHAVEYPTKNQSJ-ZDLGFXPLSA-N 0 0 555.903 5.738 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409252158 1073189566 /nfs/dbraw/zinc/18/95/66/1073189566.db2.gz CEFHXOZXHZZNDZ-VYZAVGSRSA-N 0 0 533.071 5.136 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409252027 1073190555 /nfs/dbraw/zinc/19/05/55/1073190555.db2.gz RJBQFGNSYSCJIR-FMQZQXMHSA-N 0 0 546.295 5.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409251552 1073193205 /nfs/dbraw/zinc/19/32/05/1073193205.db2.gz RCEVFMRRAMGRGU-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409266659 1073199262 /nfs/dbraw/zinc/19/92/62/1073199262.db2.gz KTFGBGLEPMHAOB-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OCC)c3)SC2=S)cc1 ZINC000409266909 1073199282 /nfs/dbraw/zinc/19/92/82/1073199282.db2.gz SCGDILCQFLYOBD-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 ZINC000002195399 1073199605 /nfs/dbraw/zinc/19/96/05/1073199605.db2.gz PNROIKTWWYWTOA-ZXVVBBHZSA-N 0 0 522.630 5.421 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1C ZINC000409266733 1073199683 /nfs/dbraw/zinc/19/96/83/1073199683.db2.gz YBSVFQXQLHRNLI-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C ZINC000409266449 1073201866 /nfs/dbraw/zinc/20/18/66/1073201866.db2.gz YWBKKLVFHNDFQC-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409266245 1073202879 /nfs/dbraw/zinc/20/28/79/1073202879.db2.gz QANXOGWAVHTNIK-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(C)c1 ZINC000409266349 1073203214 /nfs/dbraw/zinc/20/32/14/1073203214.db2.gz WCYNDLYKJSJRFK-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2OC)cc1 ZINC000409266095 1073203241 /nfs/dbraw/zinc/20/32/41/1073203241.db2.gz JOZJALOUBOFLEA-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1OC ZINC000035039180 1073203775 /nfs/dbraw/zinc/20/37/75/1073203775.db2.gz SRBPCIOMLOCOJS-YZSQISJMSA-N 0 0 505.661 6.035 40 10 KKCBRN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000026840841 1073204219 /nfs/dbraw/zinc/20/42/19/1073204219.db2.gz YOAJHNVSDPPKIT-QTKYHAHDSA-N 0 0 521.664 5.165 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)sc2c1CCCC2 ZINC000027530670 1073206684 /nfs/dbraw/zinc/20/66/84/1073206684.db2.gz LGWCUORNPWXMNV-GHRIWEEISA-N 0 0 504.655 5.017 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409265424 1073207552 /nfs/dbraw/zinc/20/75/52/1073207552.db2.gz SLKVNVGYKUEBBQ-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000033587446 1073207791 /nfs/dbraw/zinc/20/77/91/1073207791.db2.gz QRJPOETZQHUWCI-PCLIKHOPSA-N 0 0 515.635 6.479 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000033715517 1073207983 /nfs/dbraw/zinc/20/79/83/1073207983.db2.gz URGQQEXQUAKHBV-WORIPGKHSA-N 0 0 507.059 6.294 40 10 KKCBRN CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000033912545 1073208296 /nfs/dbraw/zinc/20/82/96/1073208296.db2.gz IOJXMGMHMLRJTK-LGUFXXKBSA-N 0 0 511.672 6.382 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000035123545 1073209321 /nfs/dbraw/zinc/20/93/21/1073209321.db2.gz LGCRZBKDXOYAFN-IKJQNQTJSA-N 0 0 523.058 5.671 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409264886 1073210571 /nfs/dbraw/zinc/21/05/71/1073210571.db2.gz LOKVLTWPHXUANC-ONUIUJJFSA-N 0 0 546.714 6.082 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)cc1 ZINC000409264648 1073211012 /nfs/dbraw/zinc/21/10/12/1073211012.db2.gz QPMPKGMHVKFJFU-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409263794 1073215852 /nfs/dbraw/zinc/21/58/52/1073215852.db2.gz CBEPCWGPOKKFKE-KKMKTNMSSA-N 0 0 648.996 7.756 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409263612 1073216542 /nfs/dbraw/zinc/21/65/42/1073216542.db2.gz IKMRQDKEWZHEOU-OVZSPSEASA-N 0 0 532.687 6.374 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)c1C ZINC000409263611 1073216615 /nfs/dbraw/zinc/21/66/15/1073216615.db2.gz IKCAIBWEBOOOQN-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 ZINC000409261849 1073224424 /nfs/dbraw/zinc/22/44/24/1073224424.db2.gz DOPILRUJBCIWNY-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1 ZINC000409260686 1073231464 /nfs/dbraw/zinc/23/14/64/1073231464.db2.gz UQCLPLSIMBKUOH-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409260777 1073232249 /nfs/dbraw/zinc/23/22/49/1073232249.db2.gz WGAIYVFOVFSLAE-XYGWBWBKSA-N 0 0 518.660 5.495 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409260543 1073232739 /nfs/dbraw/zinc/23/27/39/1073232739.db2.gz RURZAQVTVBHPSQ-FBHDLOMBSA-N 0 0 515.443 6.417 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409260628 1073233038 /nfs/dbraw/zinc/23/30/38/1073233038.db2.gz SYSTYOFOMQGRNY-UUYOSTAYSA-N 0 0 529.039 5.669 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1Cl ZINC000409260576 1073233112 /nfs/dbraw/zinc/23/31/12/1073233112.db2.gz SIMYEOOKSBLJND-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000409260287 1073234634 /nfs/dbraw/zinc/23/46/34/1073234634.db2.gz NZVUKIMLDXIFSZ-OYKKKHCWSA-N 0 0 538.094 6.138 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409260276 1073234662 /nfs/dbraw/zinc/23/46/62/1073234662.db2.gz NSHSWZMSTOORSV-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409259775 1073238622 /nfs/dbraw/zinc/23/86/22/1073238622.db2.gz FDXAJCDKGTWYNO-ONUIUJJFSA-N 0 0 547.702 5.252 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409259147 1073241373 /nfs/dbraw/zinc/24/13/73/1073241373.db2.gz WVQVFCZVJZLNHO-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258273 1073246846 /nfs/dbraw/zinc/24/68/46/1073246846.db2.gz SMZGSIMFNZPHJS-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409258317 1073247137 /nfs/dbraw/zinc/24/71/37/1073247137.db2.gz WGIBMCAPZLMSAQ-QQXSKIMKSA-N 0 0 548.686 6.080 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409258314 1073247159 /nfs/dbraw/zinc/24/71/59/1073247159.db2.gz UIDVHHHEVBWTGH-UHFFFAOYSA-N 0 0 701.517 6.518 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409258163 1073247979 /nfs/dbraw/zinc/24/79/79/1073247979.db2.gz WUAOFQCKDYXECY-UHFFFAOYSA-N 0 0 600.458 6.903 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1 ZINC000409258179 1073248014 /nfs/dbraw/zinc/24/80/14/1073248014.db2.gz WVAWIUSHMOMFPT-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)SC2=S)cc1 ZINC000409257962 1073248821 /nfs/dbraw/zinc/24/88/21/1073248821.db2.gz VHDLKOOHWBFFNE-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409257339 1073252159 /nfs/dbraw/zinc/25/21/59/1073252159.db2.gz SDFPJGPAQXELIS-UCQKPKSFSA-N 0 0 543.041 6.301 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409272663 1073252616 /nfs/dbraw/zinc/25/26/16/1073252616.db2.gz RJKIAZMRRHVIOH-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409272305 1073256185 /nfs/dbraw/zinc/25/61/85/1073256185.db2.gz GCFJMNQLHYGPQE-OGLMXYFKSA-N 0 0 543.689 6.404 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409272031 1073259679 /nfs/dbraw/zinc/25/96/79/1073259679.db2.gz XUQIBMCOWSMFNM-UCQKPKSFSA-N 0 0 543.497 6.455 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2Cl)cc1 ZINC000409271221 1073264440 /nfs/dbraw/zinc/26/44/40/1073264440.db2.gz KROVCYZOCAVTPK-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409270634 1073268833 /nfs/dbraw/zinc/26/88/33/1073268833.db2.gz HUUHETZKXJWFGM-YVNNLAQVSA-N 0 0 530.389 6.228 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409270726 1073269333 /nfs/dbraw/zinc/26/93/33/1073269333.db2.gz HPVGCVRISYXQIJ-ZOLHPDHPSA-N 0 0 526.680 5.045 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409269894 1073273389 /nfs/dbraw/zinc/27/33/89/1073273389.db2.gz ATLPSSXEHHKJHX-HAHDFKILSA-N 0 0 539.078 6.334 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)SC1=S ZINC000409269599 1073275764 /nfs/dbraw/zinc/27/57/64/1073275764.db2.gz KOJZNKJAQPKGLS-JAIQZWGSSA-N 0 0 525.479 6.021 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1 ZINC000409269091 1073280448 /nfs/dbraw/zinc/28/04/48/1073280448.db2.gz DZANZWFCAAFSJB-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409269117 1073280943 /nfs/dbraw/zinc/28/09/43/1073280943.db2.gz FJGQGWBBXPNDQT-KSEXSDGBSA-N 0 0 528.461 6.693 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409268664 1073283218 /nfs/dbraw/zinc/28/32/18/1073283218.db2.gz XHDBHXXJNGJEKM-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)c(C)c1 ZINC000409268692 1073283274 /nfs/dbraw/zinc/28/32/74/1073283274.db2.gz XQQHRJNURNLPFH-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268530 1073283989 /nfs/dbraw/zinc/28/39/89/1073283989.db2.gz VEEJSEGHUXJEJM-JJFYIABZSA-N 0 0 529.039 5.669 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409267860 1073287082 /nfs/dbraw/zinc/28/70/82/1073287082.db2.gz WRBZPDAOKDZGON-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409267572 1073288786 /nfs/dbraw/zinc/28/87/86/1073288786.db2.gz OBFFSIDAWXQNBF-UNOMPAQXSA-N 0 0 510.559 5.343 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409267392 1073289496 /nfs/dbraw/zinc/28/94/96/1073289496.db2.gz UJSPPGYANUAUSR-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409267456 1073289864 /nfs/dbraw/zinc/28/98/64/1073289864.db2.gz UZXZBUFFVQLLFH-KQWNVCNZSA-N 0 0 542.604 6.167 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409267364 1073290624 /nfs/dbraw/zinc/29/06/24/1073290624.db2.gz UDDDNVYKBFEKDT-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409276110 1073293015 /nfs/dbraw/zinc/29/30/15/1073293015.db2.gz YSDMIAHVTIZYDL-JVWAILMASA-N 0 0 535.065 6.684 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409275246 1073301405 /nfs/dbraw/zinc/30/14/05/1073301405.db2.gz ZSWFRXLCXUSERM-SSDVNMTOSA-N 0 0 514.434 6.384 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000059474883 193900044 /nfs/dbraw/zinc/90/00/44/193900044.db2.gz CLSSSEDALJYHJL-ZXVVBBHZSA-N 0 0 509.005 7.152 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368289 193904499 /nfs/dbraw/zinc/90/44/99/193904499.db2.gz HGEBXCRNOHPQBR-BKUYFWCQSA-N 0 0 543.489 7.223 40 10 KKCBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059398081 193896840 /nfs/dbraw/zinc/89/68/40/193896840.db2.gz NNRAEFCSIGBPQI-PTYKOUHISA-N 0 0 500.514 5.887 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501933 193949108 /nfs/dbraw/zinc/94/91/08/193949108.db2.gz IHJLMEBOSKXCKZ-FTJBHMTQSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224520640 193959451 /nfs/dbraw/zinc/95/94/51/193959451.db2.gz MGMFJRKRJWOLOC-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224528903 193964239 /nfs/dbraw/zinc/96/42/39/193964239.db2.gz NQUWUOSNRMIOKZ-XZWHSSHBSA-N 0 0 504.659 6.828 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225531044 193965891 /nfs/dbraw/zinc/96/58/91/193965891.db2.gz JHMAZXLRDDJYHM-IGYGKHONSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225531181 193965943 /nfs/dbraw/zinc/96/59/43/193965943.db2.gz ZVSIRSAWHVABHI-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000225543901 193975655 /nfs/dbraw/zinc/97/56/55/193975655.db2.gz NNCSMTUQJRXIID-VMPREFPWSA-N 0 0 524.694 5.448 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225548177 193978107 /nfs/dbraw/zinc/97/81/07/193978107.db2.gz FZIIDQXNTYPQFX-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409382296 195514516 /nfs/dbraw/zinc/51/45/16/195514516.db2.gz RDFBIQZMYJTYON-CFRMEGHHSA-N 0 0 550.478 5.478 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000409049625 195496729 /nfs/dbraw/zinc/49/67/29/195496729.db2.gz ZIVOCZZGCJCWQJ-MDWZMJQESA-N 0 0 544.217 6.053 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409051679 195502896 /nfs/dbraw/zinc/50/28/96/195502896.db2.gz BGPVESBSIMWGHE-ZHGFHMGHSA-N 0 0 600.140 5.198 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409231395 195507165 /nfs/dbraw/zinc/50/71/65/195507165.db2.gz CVMLYFPBMPUWNA-JLPGSUDCSA-N 0 0 572.630 6.175 40 10 KKCBRN COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000920509 551574317 /nfs/dbraw/zinc/57/43/17/551574317.db2.gz WZFKUQZWECOAPM-UHFFFAOYSA-N 0 0 518.614 5.684 40 10 KKCBRN CN(C)c1ccc(C2=CC(c3ccc(N(C)C)cc3)(c3ccc(C(F)(F)F)cc3)C=C(c3ccc(N(C)C)cc3)S2)cc1 ZINC000001566677 551684543 /nfs/dbraw/zinc/68/45/43/551684543.db2.gz UQYKFRUBVPNKQC-UHFFFAOYSA-N 0 0 599.766 9.019 40 10 KKCBRN CCOC(=O)c1cc(C)n(-c2ccc(-c3ccc(-n4c(C)cc(C(=O)OCC)c4C)c(C)c3)cc2C)c1C ZINC000001597022 551685533 /nfs/dbraw/zinc/68/55/33/551685533.db2.gz ZYRWPYBVOUGSAP-UHFFFAOYSA-N 0 0 512.650 7.139 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000001875689 551722052 /nfs/dbraw/zinc/72/20/52/551722052.db2.gz MAPGUNAOUAABID-TWJOJJKGSA-N 0 0 574.902 7.151 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002164028 551781560 /nfs/dbraw/zinc/78/15/60/551781560.db2.gz VYGVKYWGBJXRBH-UTAOYMJKSA-N 0 0 591.733 5.758 40 10 KKCBRN CC(C)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000002253072 551801962 /nfs/dbraw/zinc/80/19/62/551801962.db2.gz HHIRHOMNOGYVTP-SGNDLWITSA-N 0 0 544.401 5.268 40 10 KKCBRN Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003289017 552339474 /nfs/dbraw/zinc/33/94/74/552339474.db2.gz PJNLWPNQQXOKSE-FLCJAFJVSA-N 0 0 538.404 6.573 40 10 KKCBRN CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000003771143 552416245 /nfs/dbraw/zinc/41/62/45/552416245.db2.gz DOYKTLWCBDKOFQ-UHFFFAOYSA-N 0 0 543.797 6.262 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000004182204 552446863 /nfs/dbraw/zinc/44/68/63/552446863.db2.gz WNLOAQILYOVIBN-HKBOAZHASA-N 0 0 526.759 5.342 40 10 KKCBRN O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000005838603 552510658 /nfs/dbraw/zinc/51/06/58/552510658.db2.gz XIPFDLFRGVWTDZ-QHCPKHFHSA-N 0 0 523.332 7.024 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006167976 552558337 /nfs/dbraw/zinc/55/83/37/552558337.db2.gz JWSFRLAGLHUOIT-KMBIYUNPSA-N 0 0 582.509 5.431 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000006600593 552602713 /nfs/dbraw/zinc/60/27/13/552602713.db2.gz NXNVUJYGDBQHGQ-YDZHTSKRSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)c1 ZINC000008819166 553154000 /nfs/dbraw/zinc/15/40/00/553154000.db2.gz VIRQEAYBNNYCID-WQRHYEAKSA-N 0 0 514.978 5.988 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000008819100 553154043 /nfs/dbraw/zinc/15/40/43/553154043.db2.gz PCGZYYDPZNEWRC-IDUWFGFVSA-N 0 0 501.844 5.885 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000008819809 553154482 /nfs/dbraw/zinc/15/44/82/553154482.db2.gz FAENRBKRHAAZRP-HKWRFOASSA-N 0 0 527.737 5.435 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000008819847 553154533 /nfs/dbraw/zinc/15/45/33/553154533.db2.gz OYXNNDUULIMUQP-HKWRFOASSA-N 0 0 508.587 6.114 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000008819768 553154535 /nfs/dbraw/zinc/15/45/35/553154535.db2.gz RQVKDFMJYWORCT-ZHZULCJRSA-N 0 0 503.487 6.158 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC ZINC000008819936 553154581 /nfs/dbraw/zinc/15/45/81/553154581.db2.gz XVIYLKPZQVABEK-BKUYFWCQSA-N 0 0 521.060 5.463 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC ZINC000008819934 553154586 /nfs/dbraw/zinc/15/45/86/553154586.db2.gz RWSHNLOWROTAIP-STZFKDTASA-N 0 0 505.061 5.758 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000008819873 553154593 /nfs/dbraw/zinc/15/45/93/553154593.db2.gz OQFSDNDAFHMQQN-QLYXXIJNSA-N 0 0 522.736 5.938 40 10 KKCBRN COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c1 ZINC000008819921 553154673 /nfs/dbraw/zinc/15/46/73/553154673.db2.gz XWSRTCFLIUUSRL-JCMHNJIXSA-N 0 0 500.642 5.113 40 10 KKCBRN CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819973 553154978 /nfs/dbraw/zinc/15/49/78/553154978.db2.gz FHXDGYNOGDKYDN-MOHJPFBDSA-N 0 0 512.697 5.514 40 10 KKCBRN COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000008820080 553155070 /nfs/dbraw/zinc/15/50/70/553155070.db2.gz WNPHTJZVDAYSEW-JWGURIENSA-N 0 0 510.637 5.076 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000008820149 553155140 /nfs/dbraw/zinc/15/51/40/553155140.db2.gz OVCIXASTAWPEOK-UNOMPAQXSA-N 0 0 513.899 7.047 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008821822 553156063 /nfs/dbraw/zinc/15/60/63/553156063.db2.gz VZVMCERLRHGXKH-HYARGMPZSA-N 0 0 502.398 6.185 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821778 553156098 /nfs/dbraw/zinc/15/60/98/553156098.db2.gz DMRKUDJNIRSTRZ-ITYLOYPMSA-N 0 0 520.054 5.720 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000008914183 553185763 /nfs/dbraw/zinc/18/57/63/553185763.db2.gz IYNZKUMEHZJJBH-RGSZASNESA-N 0 0 506.945 5.738 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)c(OC)c3)C2=N)S1 ZINC000009113193 553210605 /nfs/dbraw/zinc/21/06/05/553210605.db2.gz IBLNDCPAXJTUOF-MARJOPMBSA-N 0 0 513.019 5.616 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000009232399 553223662 /nfs/dbraw/zinc/22/36/62/553223662.db2.gz RTVQQKVUALBKIQ-XDHOZWIPSA-N 0 0 508.017 5.095 40 10 KKCBRN COC(=O)c1ccccc1N1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000009311757 553239680 /nfs/dbraw/zinc/23/96/80/553239680.db2.gz ZLQGVNJTSXHGTA-ZVHZXABRSA-N 0 0 519.047 6.535 40 10 KKCBRN Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000009361155 553248598 /nfs/dbraw/zinc/24/85/98/553248598.db2.gz UWWLAGMURWEMSR-YAGMQUQISA-N 0 0 518.708 5.448 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(Cl)c2C)cc1 ZINC000010113136 553328968 /nfs/dbraw/zinc/32/89/68/553328968.db2.gz NYUSSXBGNOERGE-UHFFFAOYSA-N 0 0 526.102 5.459 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000012032373 553350211 /nfs/dbraw/zinc/35/02/11/553350211.db2.gz BQGSMISMRGGYMM-JJIBRWJFSA-N 0 0 518.685 6.506 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475207 553370644 /nfs/dbraw/zinc/37/06/44/553370644.db2.gz PUNICJYQZWKMMI-PMERELPUSA-N 0 0 528.722 6.057 40 10 KKCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000013025057 553435337 /nfs/dbraw/zinc/43/53/37/553435337.db2.gz NORJIBWBBMQQTM-SANMLTNESA-N 0 0 526.008 5.356 40 10 KKCBRN CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025148 553435469 /nfs/dbraw/zinc/43/54/69/553435469.db2.gz QPJFDCOMFHAWRP-JHOBJCJYSA-N 0 0 529.681 6.077 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000013668510 553481073 /nfs/dbraw/zinc/48/10/73/553481073.db2.gz YFOZFZPVISIPKX-UHFFFAOYSA-N 0 0 519.711 5.620 40 10 KKCBRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccc(Br)cc1-2 ZINC000015015890 553526120 /nfs/dbraw/zinc/52/61/20/553526120.db2.gz NYQYBDWUMZHQAA-NRFANRHFSA-N 0 0 500.466 6.153 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000015230438 553529910 /nfs/dbraw/zinc/52/99/10/553529910.db2.gz STXFHMPISZJXFA-UCHNXLLDSA-N 0 0 526.680 5.045 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016160888 553555657 /nfs/dbraw/zinc/55/56/57/553555657.db2.gz NUCKHBYKMOSHSF-JAIQZWGSSA-N 0 0 512.349 6.295 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000016216722 553556991 /nfs/dbraw/zinc/55/69/91/553556991.db2.gz NJIKEGMFTFGPJL-FMCGGJTJSA-N 0 0 516.471 6.982 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000016292311 553558987 /nfs/dbraw/zinc/55/89/87/553558987.db2.gz YXMGKGVEOMENKD-QRQIAZFYSA-N 0 0 511.668 7.137 40 10 KKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1nc(-c2ccccc2)cs1 ZINC000016493330 553566656 /nfs/dbraw/zinc/56/66/56/553566656.db2.gz GISQLULUSJZTHM-QNGOZBTKSA-N 0 0 512.572 5.467 40 10 KKCBRN COc1cc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000016754384 553581058 /nfs/dbraw/zinc/58/10/58/553581058.db2.gz LCFHHMVLZGCKIQ-FMCGGJTJSA-N 0 0 515.418 6.393 40 10 KKCBRN Brc1cc(Br)c(OCc2ccccc2)c(C2Nc3cccc4cccc(c43)N2)c1 ZINC000070453959 553594033 /nfs/dbraw/zinc/59/40/33/553594033.db2.gz OWZVHQIEOGBVEX-UHFFFAOYSA-N 0 0 510.229 7.480 40 10 KKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2ccc(N(C)C)cc2)c(OC)c1 ZINC000019325282 553613189 /nfs/dbraw/zinc/61/31/89/553613189.db2.gz GUBKRBKECQKVGP-UHFFFAOYSA-N 0 0 505.659 5.194 40 10 KKCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287171 553632737 /nfs/dbraw/zinc/63/27/37/553632737.db2.gz CKMARQAVSQLRAV-IMRQLAEWSA-N 0 0 500.555 5.099 40 10 KKCBRN O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c43)c21 ZINC000073371611 553653586 /nfs/dbraw/zinc/65/35/86/553653586.db2.gz FGUMIPRKPHUGLM-UHFFFAOYSA-N 0 0 532.560 7.210 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=S)NC(=O)c2ccco2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096401956 553754210 /nfs/dbraw/zinc/75/42/10/553754210.db2.gz FJESGKLJVYHOOS-AMAOMMCUSA-N 0 0 527.694 5.723 40 10 KKCBRN Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CCN([C@@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859570 553762258 /nfs/dbraw/zinc/76/22/58/553762258.db2.gz ZUMGLGKJKXIOPJ-ACHIHNKUSA-N 0 0 607.490 6.359 40 10 KKCBRN Cc1ccc(C)c(C2=NN(C(=O)c3cc4cc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@@H](c3ccccc3O)C2)c1 ZINC000097948700 553796042 /nfs/dbraw/zinc/79/60/42/553796042.db2.gz DCURTCOBCSMRBR-XMMPIXPASA-N 0 0 595.046 8.049 40 10 KKCBRN CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000097952453 553816056 /nfs/dbraw/zinc/81/60/56/553816056.db2.gz HHIRHOMNOGYVTP-TZRRMPRUSA-N 0 0 544.401 5.268 40 10 KKCBRN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 ZINC000026503345 553818966 /nfs/dbraw/zinc/81/89/66/553818966.db2.gz NYTVPOVKLSLXOR-SHLVZYNGSA-N 0 0 518.708 5.448 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000026593412 553819678 /nfs/dbraw/zinc/81/96/78/553819678.db2.gz BFTFDSJCQAXRPB-XKZIYDEJSA-N 0 0 500.016 6.468 40 10 KKCBRN Cc1c(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000029491356 553844997 /nfs/dbraw/zinc/84/49/97/553844997.db2.gz GPAZYPHHACXBSA-QUPMIFSKSA-N 0 0 526.596 6.111 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(-c4ncc(-c5ccccc5)o4)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097957915 553849556 /nfs/dbraw/zinc/84/95/56/553849556.db2.gz RJFKAUIHMBBQAL-WKECMTMWSA-N 0 0 621.785 8.577 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097958466 553854843 /nfs/dbraw/zinc/85/48/43/553854843.db2.gz OREWKJOXQFDOCF-QZKYPLDBSA-N 0 0 532.666 6.230 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000097958497 553855128 /nfs/dbraw/zinc/85/51/28/553855128.db2.gz VTKAVJKJJSEDDM-RIXDGJCHSA-N 0 0 655.312 5.549 40 10 KKCBRN Cc1cc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)ccc1Cl ZINC000032109564 553863170 /nfs/dbraw/zinc/86/31/70/553863170.db2.gz QOLKNIXEBIXCSH-XWPWKJMHSA-N 0 0 508.909 5.288 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000032109437 553863293 /nfs/dbraw/zinc/86/32/93/553863293.db2.gz BMRCHAQYAHPDFX-IVWMXWNPSA-N 0 0 527.046 5.924 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000097959450 553863945 /nfs/dbraw/zinc/86/39/45/553863945.db2.gz SXHFQXSZWJKYQF-ORAWNNOXSA-N 0 0 585.524 6.458 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124939 553865887 /nfs/dbraw/zinc/86/58/87/553865887.db2.gz NSTJQJJDILUIJV-FYJGNVAPSA-N 0 0 509.590 6.368 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124896 553865935 /nfs/dbraw/zinc/86/59/35/553865935.db2.gz IXHXXHNIWPJSRS-JJFYIABZSA-N 0 0 508.602 6.189 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097961902 553881324 /nfs/dbraw/zinc/88/13/24/553881324.db2.gz FPRCJUFURKWALE-ZXVVBBHZSA-N 0 0 582.187 7.895 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2OC)cc1 ZINC000097961897 553881387 /nfs/dbraw/zinc/88/13/87/553881387.db2.gz PQAUFDFWLKGPMV-JYOWCZJTSA-N 0 0 619.143 6.996 40 10 KKCBRN N=C1/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000097961894 553881408 /nfs/dbraw/zinc/88/14/08/553881408.db2.gz NUTWONCCPQRLQG-POHYLTNWSA-N 0 0 532.069 6.573 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000097964330 553897194 /nfs/dbraw/zinc/89/71/94/553897194.db2.gz HJHNBLDOTSGNBL-AGEZNUCUSA-N 0 0 567.111 6.623 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964371 553897862 /nfs/dbraw/zinc/89/78/62/553897862.db2.gz NDJSTMBOZDKCCK-LZJUYTBLSA-N 0 0 537.645 6.278 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000097964617 553899249 /nfs/dbraw/zinc/89/92/49/553899249.db2.gz OGKSHXQPLFKMHI-IUSLSNNWSA-N 0 0 532.778 5.019 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1Cl ZINC000097964609 553899259 /nfs/dbraw/zinc/89/92/59/553899259.db2.gz YVIKQKRLBMDWGM-ZBDFPFABSA-N 0 0 532.778 5.019 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(I)c1OCc1ccccc1F ZINC000097964681 553900084 /nfs/dbraw/zinc/90/00/84/553900084.db2.gz IQVOLTZYJXMXRI-FLANLAGZSA-N 0 0 578.407 5.293 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 ZINC000097964917 553901621 /nfs/dbraw/zinc/90/16/21/553901621.db2.gz QMTBOHAXQXAPTH-QEUSGJJISA-N 0 0 541.677 6.087 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000033390438 553958129 /nfs/dbraw/zinc/95/81/29/553958129.db2.gz SELMNQSZERHYTJ-HGNJXLJLSA-N 0 0 506.591 5.091 40 10 KKCBRN CC(C)COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000097972378 553966857 /nfs/dbraw/zinc/96/68/57/553966857.db2.gz ACYMMAXHRSVVNF-HMAPJEAMSA-N 0 0 525.457 6.777 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000033723311 553970394 /nfs/dbraw/zinc/97/03/94/553970394.db2.gz WFPNOAHQTRNHBS-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1cc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000097979066 553976165 /nfs/dbraw/zinc/97/61/65/553976165.db2.gz NAHMHPJDKJVIKA-ULIFNZDWSA-N 0 0 529.980 7.139 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2cccc4ccccc42)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979971 553983839 /nfs/dbraw/zinc/98/38/39/553983839.db2.gz MLSCMJTXUQHZHN-YMRREUFBSA-N 0 0 558.726 7.174 40 10 KKCBRN CCn1c(CSCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000097980945 553991172 /nfs/dbraw/zinc/99/11/72/553991172.db2.gz KQVHGZYHVFTVOF-QVIHXGFCSA-N 0 0 536.683 5.594 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097984123 554014333 /nfs/dbraw/zinc/01/43/33/554014333.db2.gz HAFSIPAAXKYSGC-FLRMHVCCSA-N 0 0 627.811 5.276 40 10 KKCBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999468 554043134 /nfs/dbraw/zinc/04/31/34/554043134.db2.gz GYWXPURVSNZRDM-QTELLAOKSA-N 0 0 610.864 10.250 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000098002631 554053676 /nfs/dbraw/zinc/05/36/76/554053676.db2.gz ZSHLXESIJVZZBW-NGKQEFFVSA-N 0 0 530.580 7.128 40 10 KKCBRN Cc1ccc(C(=O)C(Br)(Br)C(=O)C(=O)C(Br)(Br)C(=O)c2ccc(C)cc2C)c(C)c1 ZINC000098005248 554058052 /nfs/dbraw/zinc/05/80/52/554058052.db2.gz DFRLQUONBILKPW-UHFFFAOYSA-N 0 0 665.998 6.096 40 10 KKCBRN O=C1C(=CNc2ccc(Oc3ccc(Br)cc3)cc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100057192 554196790 /nfs/dbraw/zinc/19/67/90/554196790.db2.gz BIQHTOAIGXBUOM-MOSHPQCFSA-N 0 0 547.287 6.411 40 10 KKCBRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000100089083 554210045 /nfs/dbraw/zinc/21/00/45/554210045.db2.gz JOJCALYODHTFQQ-UHFFFAOYSA-N 0 0 588.173 6.964 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC1=S ZINC000100181246 554241712 /nfs/dbraw/zinc/24/17/12/554241712.db2.gz KGPCLSGLHLHZAS-FYJGNVAPSA-N 0 0 577.363 7.555 40 10 KKCBRN O=C(Nc1c(Oc2ccccc2)cc(OC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000100227268 554253907 /nfs/dbraw/zinc/25/39/07/554253907.db2.gz ZGDDGNDZTWGHMU-UHFFFAOYSA-N 0 0 539.543 6.726 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100267286 554267410 /nfs/dbraw/zinc/26/74/10/554267410.db2.gz BWRBJISAXPHCCK-LILNUKLZSA-N 0 0 547.862 6.109 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000040940369 554291703 /nfs/dbraw/zinc/29/17/03/554291703.db2.gz BDFWFZVWUFUXGA-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000041108331 554295252 /nfs/dbraw/zinc/29/52/52/554295252.db2.gz VWBCQZWJWQDQGO-WUXVYIAASA-N 0 0 504.015 5.754 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)o2)cc1 ZINC000041108282 554295259 /nfs/dbraw/zinc/29/52/59/554295259.db2.gz KYULNXMFHNAUQE-PPIATVRMSA-N 0 0 514.563 5.130 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000100316748 554303042 /nfs/dbraw/zinc/30/30/42/554303042.db2.gz VCTHGXUUDLIIKG-YZSQISJMSA-N 0 0 600.121 7.765 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000100319626 554304205 /nfs/dbraw/zinc/30/42/05/554304205.db2.gz IUAPTYJTFNGKRX-HYARGMPZSA-N 0 0 604.400 6.050 40 10 KKCBRN Cc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)ccc1-n1cnnn1 ZINC000100332856 554315416 /nfs/dbraw/zinc/31/54/16/554315416.db2.gz LNHHEUYBTFBDIS-MGBGTMOVSA-N 0 0 590.732 5.284 40 10 KKCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000100357136 554337766 /nfs/dbraw/zinc/33/77/66/554337766.db2.gz RPOYLKBUDPMLRU-AREMUKBSSA-N 0 0 541.570 5.582 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc(Br)c1 ZINC000100365277 554351119 /nfs/dbraw/zinc/35/11/19/554351119.db2.gz RUYQLDZCFAKGIN-MFKUBSTISA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368672 554354920 /nfs/dbraw/zinc/35/49/20/554354920.db2.gz JLCMHXAIVIKNTF-NHDPSOOVSA-N 0 0 577.934 7.876 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000100369711 554355892 /nfs/dbraw/zinc/35/58/92/554355892.db2.gz NUOAZWAHFAMZPZ-RGVLZGJSSA-N 0 0 519.456 7.459 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000058846168 554365933 /nfs/dbraw/zinc/36/59/33/554365933.db2.gz RQPZSXKHFQATOA-PFPZSTESSA-N 0 0 520.651 5.902 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c(C)c1 ZINC000058846216 554366112 /nfs/dbraw/zinc/36/61/12/554366112.db2.gz PKZLPXNEBWTJJN-UNVFRBQDSA-N 0 0 510.015 6.492 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846712 554366465 /nfs/dbraw/zinc/36/64/65/554366465.db2.gz XBZATNGLFXMHRE-SXDGJLEOSA-N 0 0 520.651 5.957 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847472 554366742 /nfs/dbraw/zinc/36/67/42/554366742.db2.gz ZMBKJOUKSPYVIZ-SXDGJLEOSA-N 0 0 525.070 6.765 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847653 554367004 /nfs/dbraw/zinc/36/70/04/554367004.db2.gz NPOWNQZRPUWNTB-HOOSLVGPSA-N 0 0 505.854 7.274 40 10 KKCBRN O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100391350 554367061 /nfs/dbraw/zinc/36/70/61/554367061.db2.gz TYVSQOXGZQJWMM-XFQWXJFMSA-N 0 0 588.234 5.223 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847722 554367075 /nfs/dbraw/zinc/36/70/75/554367075.db2.gz NEEAUTYEGUQLTG-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847709 554367071 /nfs/dbraw/zinc/36/70/71/554367071.db2.gz KCFGLDBKUYUZQF-SRGWNRLKSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848151 554367339 /nfs/dbraw/zinc/36/73/39/554367339.db2.gz IMEILNULIMZOHL-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058848086 554367454 /nfs/dbraw/zinc/36/74/54/554367454.db2.gz PHJNJBQNYRQGLT-VYKTZEHYSA-N 0 0 509.071 7.063 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058847943 554367487 /nfs/dbraw/zinc/36/74/87/554367487.db2.gz KJEVQJZQKCCMOG-ANSQWYIGSA-N 0 0 511.043 6.293 40 10 KKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848285 554367762 /nfs/dbraw/zinc/36/77/62/554367762.db2.gz VWPILWMOYXCHKQ-VRUMLPLGSA-N 0 0 509.469 6.693 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058848598 554367976 /nfs/dbraw/zinc/36/79/76/554367976.db2.gz XNKWRXQUWKFHMK-UNVFRBQDSA-N 0 0 515.462 7.019 40 10 KKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848423 554368002 /nfs/dbraw/zinc/36/80/02/554368002.db2.gz IASBVWKYEVERJS-WZOHSFFVSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000058848460 554368018 /nfs/dbraw/zinc/36/80/18/554368018.db2.gz QZGOVFKTBIHRIJ-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1 ZINC000058848526 554368138 /nfs/dbraw/zinc/36/81/38/554368138.db2.gz PDNZIFGWYKCBMN-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058848593 554368159 /nfs/dbraw/zinc/36/81/59/554368159.db2.gz FYCQRXNBYRDJDO-UZINWLIJSA-N 0 0 515.462 7.019 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000058849128 554368232 /nfs/dbraw/zinc/36/82/32/554368232.db2.gz SZEZQHYXWASCDP-BALWLHIASA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058848925 554368318 /nfs/dbraw/zinc/36/83/18/554368318.db2.gz ZGZAVFULRREYDB-ATLLOTDBSA-N 0 0 511.987 5.884 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058849100 554368325 /nfs/dbraw/zinc/36/83/25/554368325.db2.gz YJVUCKBRRNQBLP-DFXHWTJYSA-N 0 0 515.462 7.019 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c(OC)c1 ZINC000058849310 554368720 /nfs/dbraw/zinc/36/87/20/554368720.db2.gz JTBTWMDGEIOLCM-ANSQWYIGSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)cc1OC ZINC000058849551 554369039 /nfs/dbraw/zinc/36/90/39/554369039.db2.gz QTBAVQYQOFOTBH-VKIDHGPPSA-N 0 0 522.623 5.348 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849815 554369392 /nfs/dbraw/zinc/36/93/92/554369392.db2.gz QPYPOWPHGDEFMU-CTVOUCONSA-N 0 0 504.652 6.418 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850234 554369738 /nfs/dbraw/zinc/36/97/38/554369738.db2.gz LWVWRLUUTQJJPQ-SRGWNRLKSA-N 0 0 515.860 6.730 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850039 554369730 /nfs/dbraw/zinc/36/97/30/554369730.db2.gz BSJWPVFMTHYDDB-CLCZQPDDSA-N 0 0 503.624 6.520 40 10 KKCBRN Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)OC4(CCCCC4)OC3=O)c2-c2ccccc2)cc1 ZINC000058865727 554370580 /nfs/dbraw/zinc/37/05/80/554370580.db2.gz LSFDYWXGUUPOJK-UHFFFAOYSA-N 0 0 503.598 7.264 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000058865939 554370817 /nfs/dbraw/zinc/37/08/17/554370817.db2.gz UAAPXMRRLPFUTM-UHFFFAOYSA-N 0 0 507.764 5.444 40 10 KKCBRN COc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000058993160 554371608 /nfs/dbraw/zinc/37/16/08/554371608.db2.gz ZJHYBNOPZSZNBE-LLIKLIDUSA-N 0 0 536.617 5.181 40 10 KKCBRN CCN1C(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C(=O)NC1=S ZINC000059087107 554372091 /nfs/dbraw/zinc/37/20/91/554372091.db2.gz CBOKBOQSQPASEZ-XDHOZWIPSA-N 0 0 512.429 5.278 40 10 KKCBRN CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C(=O)NC1=S ZINC000059087106 554372148 /nfs/dbraw/zinc/37/21/48/554372148.db2.gz RZVPWJWBIXLNHI-UDWIEESQSA-N 0 0 512.429 5.278 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100402275 554372574 /nfs/dbraw/zinc/37/25/74/554372574.db2.gz UVYRULMLDWVSIC-UQQQWYQISA-N 0 0 551.158 7.931 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000100414439 554378908 /nfs/dbraw/zinc/37/89/08/554378908.db2.gz NPUGASPDXRYGGI-KWXIBIRDSA-N 0 0 533.967 5.702 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000100415399 554381492 /nfs/dbraw/zinc/38/14/92/554381492.db2.gz YUFLAILITWSYGG-NJYVYQBISA-N 0 0 570.317 5.163 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(F)c1 ZINC000100415376 554381607 /nfs/dbraw/zinc/38/16/07/554381607.db2.gz JDTGZLPBSVNITK-SRZZPIQSSA-N 0 0 518.404 6.712 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000100415526 554381763 /nfs/dbraw/zinc/38/17/63/554381763.db2.gz JZOIVSPAXVUOLB-BHIFYINESA-N 0 0 550.792 5.106 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100415592 554381845 /nfs/dbraw/zinc/38/18/45/554381845.db2.gz QDQSFUMAWCMQIU-NJYVYQBISA-N 0 0 560.311 5.707 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059138792 554382516 /nfs/dbraw/zinc/38/25/16/554382516.db2.gz OHYXRROLNPXXAQ-OCSSWDANSA-N 0 0 533.672 6.571 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000059138713 554382701 /nfs/dbraw/zinc/38/27/01/554382701.db2.gz AQPLXEJNEGAADS-IADYIPOJSA-N 0 0 523.592 6.820 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000059139748 554383415 /nfs/dbraw/zinc/38/34/15/554383415.db2.gz YONPKVVJZSZKHO-UHFFFAOYSA-N 0 0 513.830 5.223 40 10 KKCBRN O=C1NC(=S)S/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000059418008 554393874 /nfs/dbraw/zinc/39/38/74/554393874.db2.gz GKLGCCGBDVRXJP-VGOFMYFVSA-N 0 0 503.212 5.419 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000059436859 554395777 /nfs/dbraw/zinc/39/57/77/554395777.db2.gz YWUJYOZFMPJNAC-PJGQNWHFSA-N 0 0 500.348 5.780 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484890 554397824 /nfs/dbraw/zinc/39/78/24/554397824.db2.gz MXNUPHXIVYLVFE-SGWCAAJKSA-N 0 0 503.602 6.578 40 10 KKCBRN CCn1c(=O)/c(=C\C=C2/Sc3ccc(Cl)cc3N2CC)s/c1=C1/SC(=S)N(c2ccccc2)C1=O ZINC000100500549 554405815 /nfs/dbraw/zinc/40/58/15/554405815.db2.gz IPQKCBNGPXFFMX-IISGMPGFSA-N 0 0 558.175 5.010 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000059608921 554411850 /nfs/dbraw/zinc/41/18/50/554411850.db2.gz YRSUOJDNVDASEO-UUYOSTAYSA-N 0 0 530.454 6.623 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000059608951 554411869 /nfs/dbraw/zinc/41/18/69/554411869.db2.gz OGWYCHTXEUVKMG-OYKKKHCWSA-N 0 0 540.504 6.747 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCCCC3)=NC2=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000100662094 554439393 /nfs/dbraw/zinc/43/93/93/554439393.db2.gz MAUYZOMMECDLMZ-ZITXMDQESA-N 0 0 555.143 8.140 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCOCC2)=NC1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000100662095 554439422 /nfs/dbraw/zinc/43/94/22/554439422.db2.gz ZLWMIKNUKBCQJR-BGTKTZGMSA-N 0 0 529.061 6.369 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccccc1I ZINC000100936044 554529752 /nfs/dbraw/zinc/52/97/52/554529752.db2.gz OQFOWNIZILCDLI-STZFKDTASA-N 0 0 557.434 5.912 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)SC2=S)cc1 ZINC000100967617 554543406 /nfs/dbraw/zinc/54/34/06/554543406.db2.gz KJXOMDIIYBUOOV-QRQIAZFYSA-N 0 0 527.667 6.837 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)/C1=C(\NCCN/C(=C1/C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000100975690 554546728 /nfs/dbraw/zinc/54/67/28/554546728.db2.gz IGMYATYUXGACQZ-WANSBIPISA-N 0 0 612.828 7.435 40 10 KKCBRN COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000100994695 554550574 /nfs/dbraw/zinc/55/05/74/554550574.db2.gz TUCTXWKFGAEDHZ-CWDMTWSRSA-N 0 0 539.462 5.993 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000101002172 554552606 /nfs/dbraw/zinc/55/26/06/554552606.db2.gz HCDMHACSOVFJAV-UYRXBGFRSA-N 0 0 544.521 5.726 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101002183 554552631 /nfs/dbraw/zinc/55/26/31/554552631.db2.gz WSVAUCMOOIHMLQ-ODLFYWEKSA-N 0 0 578.966 6.380 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4cccc(Br)c4)SC3=S)s2)cc1 ZINC000101002176 554552640 /nfs/dbraw/zinc/55/26/40/554552640.db2.gz NPJXLQMULIYCTJ-MOSHPQCFSA-N 0 0 558.548 6.035 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)sc2c1CCCC2 ZINC000101005258 554553715 /nfs/dbraw/zinc/55/37/15/554553715.db2.gz KUCVJHXZYARHRD-RGEXLXHISA-N 0 0 530.693 5.042 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1OC ZINC000101005513 554553733 /nfs/dbraw/zinc/55/37/33/554553733.db2.gz KTCATCWLKZDYDG-FMCGGJTJSA-N 0 0 555.102 6.388 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1OC ZINC000101005336 554553783 /nfs/dbraw/zinc/55/37/83/554553783.db2.gz SFJGHVZFWGJLDD-IUXPMGMMSA-N 0 0 516.950 5.216 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC ZINC000101005671 554553790 /nfs/dbraw/zinc/55/37/90/554553790.db2.gz LUCPZRADEGVDSY-HAHDFKILSA-N 0 0 553.731 5.680 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)sc2c1CCCC2 ZINC000101005690 554553961 /nfs/dbraw/zinc/55/39/61/554553961.db2.gz VOTFOMPMRCSCPY-QNGOZBTKSA-N 0 0 574.746 5.441 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101005976 554553975 /nfs/dbraw/zinc/55/39/75/554553975.db2.gz KFRHZDMSUSQWGP-BKUYFWCQSA-N 0 0 572.133 5.794 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101006346 554554166 /nfs/dbraw/zinc/55/41/66/554554166.db2.gz PIDCYLZVHWVVTG-JWGURIENSA-N 0 0 575.703 7.153 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000101006350 554554181 /nfs/dbraw/zinc/55/41/81/554554181.db2.gz BCPHDAUXYPPRBN-FXBPSFAMSA-N 0 0 542.748 6.204 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000101006428 554554218 /nfs/dbraw/zinc/55/42/18/554554218.db2.gz ZBDJEGXZXHGRDN-MOSHPQCFSA-N 0 0 527.033 7.068 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101006665 554554381 /nfs/dbraw/zinc/55/43/81/554554381.db2.gz KCEFEAUZPLRDRZ-ZHZULCJRSA-N 0 0 566.486 5.700 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000101006789 554554388 /nfs/dbraw/zinc/55/43/88/554554388.db2.gz JLNFKGCWDYBUNU-QNGOZBTKSA-N 0 0 538.613 6.123 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)sc2c1CCCC2 ZINC000101006533 554554411 /nfs/dbraw/zinc/55/44/11/554554411.db2.gz TYZNTWIJWKJRAW-XLNRJJMWSA-N 0 0 556.775 6.512 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000101006790 554554418 /nfs/dbraw/zinc/55/44/18/554554418.db2.gz IWQCTIKCBHSWFO-STZFKDTASA-N 0 0 538.613 6.123 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007034 554554808 /nfs/dbraw/zinc/55/48/08/554554808.db2.gz VFOAOPQXOGQFDJ-UCQKPKSFSA-N 0 0 619.712 6.882 40 10 KKCBRN CCOC(=O)c1c2c(sc1NC(=O)CCCCCN1C(=O)/C(=C/c3ccc4c(c3)OCO4)SC1=S)CCCC2 ZINC000101007039 554554844 /nfs/dbraw/zinc/55/48/44/554554844.db2.gz IHHSQICDTYNHDQ-JCMHNJIXSA-N 0 0 586.757 5.933 40 10 KKCBRN CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000101007136 554554973 /nfs/dbraw/zinc/55/49/73/554554973.db2.gz OEASNPCCICSKQJ-XLNRJJMWSA-N 0 0 540.663 5.050 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000101007137 554554976 /nfs/dbraw/zinc/55/49/76/554554976.db2.gz GNMCSWODYGNJKC-CLCOLTQESA-N 0 0 568.717 5.830 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1 ZINC000101007155 554555027 /nfs/dbraw/zinc/55/50/27/554555027.db2.gz SDPADTWGQXTDEQ-SDXDJHTJSA-N 0 0 532.713 5.068 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 ZINC000101007223 554555241 /nfs/dbraw/zinc/55/52/41/554555241.db2.gz RPRVFIRLZYHINF-CLCOLTQESA-N 0 0 538.735 6.062 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000101007377 554555489 /nfs/dbraw/zinc/55/54/89/554555489.db2.gz JHYBHYKTWGVFSD-QOMWVZHYSA-N 0 0 535.134 7.335 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101007707 554555720 /nfs/dbraw/zinc/55/57/20/554555720.db2.gz SHMXXEKNBDXZOA-AZKAHUBSSA-N 0 0 540.135 6.564 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)C1=O ZINC000101007880 554555878 /nfs/dbraw/zinc/55/58/78/554555878.db2.gz WBRPPMJGCVXROQ-ZYPZAUIOSA-N 0 0 559.660 6.539 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1=O ZINC000101007879 554555903 /nfs/dbraw/zinc/55/59/03/554555903.db2.gz JWOVQXLUDNOTDH-BHWJBJQPSA-N 0 0 526.108 6.174 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000101007792 554555952 /nfs/dbraw/zinc/55/59/52/554555952.db2.gz RMPGNFVNCBCSTB-BFZGKFGHSA-N 0 0 554.162 6.954 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000101011562 554558029 /nfs/dbraw/zinc/55/80/29/554558029.db2.gz HQIHNMWYSFQZAE-UCQKPKSFSA-N 0 0 525.051 5.403 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1OC ZINC000101011522 554558099 /nfs/dbraw/zinc/55/80/99/554558099.db2.gz VOZFNVOBHOYLOI-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000101016922 554560578 /nfs/dbraw/zinc/56/05/78/554560578.db2.gz HIKCUDUSNYAEAO-BUHFOSPRSA-N 0 0 550.552 6.365 40 10 KKCBRN CC(C)(C)NC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)NC(C)(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101017001 554560832 /nfs/dbraw/zinc/56/08/32/554560832.db2.gz AFQDMKSZAORKJE-FMQUCBEESA-N 0 0 612.824 5.384 40 10 KKCBRN CCCCNC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)NCCCC)c4)C3=O)SC2=S)c1 ZINC000101017022 554560851 /nfs/dbraw/zinc/56/08/51/554560851.db2.gz OEUCWUQHJKNUNI-QURGRASLSA-N 0 0 612.824 5.388 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101071313 554575469 /nfs/dbraw/zinc/57/54/69/554575469.db2.gz UWEKVGBUKWHFLA-MPFGFTFXSA-N 0 0 560.447 6.765 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101071355 554575683 /nfs/dbraw/zinc/57/56/83/554575683.db2.gz SUHZHLNMQOVXHI-TWJOJJKGSA-N 0 0 540.457 6.498 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000101088198 554581161 /nfs/dbraw/zinc/58/11/61/554581161.db2.gz XHXLDEXIHGHYAS-SRZZPIQSSA-N 0 0 600.005 5.387 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000101092682 554583030 /nfs/dbraw/zinc/58/30/30/554583030.db2.gz SQSAJDOXKVJWGV-TWJOJJKGSA-N 0 0 585.454 6.406 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092708 554583299 /nfs/dbraw/zinc/58/32/99/554583299.db2.gz MIUULNHRMXJTIG-JCYYIGJDSA-N 0 0 561.435 6.160 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000101095180 554584191 /nfs/dbraw/zinc/58/41/91/554584191.db2.gz CWNWEYMTQWXVSK-WYMPLXKRSA-N 0 0 601.519 6.637 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000101133359 554650690 /nfs/dbraw/zinc/65/06/90/554650690.db2.gz UFARQHNQMCGYAC-BHIFYINESA-N 0 0 540.786 5.338 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000101136822 554651684 /nfs/dbraw/zinc/65/16/84/554651684.db2.gz SVTOWKUKWKAKSV-ZONZVBGPSA-N 0 0 549.966 5.827 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]23)cc1 ZINC000101482559 554784777 /nfs/dbraw/zinc/78/47/77/554784777.db2.gz BAXZIKYVNBJHQJ-UPRLRBBYSA-N 0 0 515.565 5.658 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cc(OCC)c(OCC(=O)OC(C)C)cc3Br)C2=O)cc1 ZINC000101574690 554798589 /nfs/dbraw/zinc/79/85/89/554798589.db2.gz HBMIVSPQXAKLMU-CIAFOILYSA-N 0 0 573.440 5.161 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000101601935 554804344 /nfs/dbraw/zinc/80/43/44/554804344.db2.gz UVQKDHMIEMHTKQ-VFCFBJKWSA-N 0 0 552.677 6.845 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000101602719 554804470 /nfs/dbraw/zinc/80/44/70/554804470.db2.gz DDVVBJCPYPDBNL-UDWIEESQSA-N 0 0 547.496 5.537 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000101740986 554834274 /nfs/dbraw/zinc/83/42/74/554834274.db2.gz DXNUNNOKBUGWSZ-UNOMPAQXSA-N 0 0 570.914 5.845 40 10 KKCBRN COc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000102469724 554936165 /nfs/dbraw/zinc/93/61/65/554936165.db2.gz YBVJFCUAPQVEEU-NHQDZBNKSA-N 0 0 549.609 5.261 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1 ZINC000102469419 554936205 /nfs/dbraw/zinc/93/62/05/554936205.db2.gz RLLBAJWLVYPBSE-MFARRGDHSA-N 0 0 546.048 6.501 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102544924 554958805 /nfs/dbraw/zinc/95/88/05/554958805.db2.gz AUAFJXSRKWXSFS-NGDRWEMDSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102549957 554961355 /nfs/dbraw/zinc/96/13/55/554961355.db2.gz NVUZOETXXCYRCX-RTOKGZNSSA-N 0 0 555.630 6.329 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102551736 554962260 /nfs/dbraw/zinc/96/22/60/554962260.db2.gz ZQDDTMWRHJUJMG-RTOKGZNSSA-N 0 0 573.620 6.549 40 10 KKCBRN O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102555628 554964024 /nfs/dbraw/zinc/96/40/24/554964024.db2.gz GJWTUGIMSGYUAX-ZONZVBGPSA-N 0 0 556.470 7.371 40 10 KKCBRN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102559561 554967189 /nfs/dbraw/zinc/96/71/89/554967189.db2.gz MDLYECFUGNCUNH-DYIKCSJPSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000102564777 554969680 /nfs/dbraw/zinc/96/96/80/554969680.db2.gz DGKBCLJAEKGKGG-IDZRBWSNSA-N 0 0 564.012 6.804 40 10 KKCBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000102675865 555004120 /nfs/dbraw/zinc/00/41/20/555004120.db2.gz UWNISXSIGOHIFQ-QTSSIRNXSA-N 0 0 547.724 8.010 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102884068 555112900 /nfs/dbraw/zinc/11/29/00/555112900.db2.gz OXHCSCDRLLXRHH-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102888779 555122110 /nfs/dbraw/zinc/12/21/10/555122110.db2.gz DERMLRCNYMCPRN-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000102889221 555123183 /nfs/dbraw/zinc/12/31/83/555123183.db2.gz JIHZXFZUKLWBIK-IDZRBWSNSA-N 0 0 590.473 6.774 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102890247 555125298 /nfs/dbraw/zinc/12/52/98/555125298.db2.gz RGXKSYTUZULYSX-RTOKGZNSSA-N 0 0 590.075 6.982 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000102891676 555127437 /nfs/dbraw/zinc/12/74/37/555127437.db2.gz YCQMEUSGNPYBRH-MPFGFTFXSA-N 0 0 578.437 6.905 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102893031 555129596 /nfs/dbraw/zinc/12/95/96/555129596.db2.gz YCMXOSYZKZBHEB-AYQJTBPPSA-N 0 0 603.646 6.476 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102893317 555130602 /nfs/dbraw/zinc/13/06/02/555130602.db2.gz GYLFYPQXGGXVBF-AYQJTBPPSA-N 0 0 590.075 6.982 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102893428 555130675 /nfs/dbraw/zinc/13/06/75/555130675.db2.gz LAPYRLLXPSDQEA-JFHPUIQFSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102896150 555135809 /nfs/dbraw/zinc/13/58/09/555135809.db2.gz JODDAKYJMIDCKZ-OZNIXHKMSA-N 0 0 552.051 6.726 40 10 KKCBRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000103136044 555306085 /nfs/dbraw/zinc/30/60/85/555306085.db2.gz LAKRZBYTJRWVGK-CNNODRBYSA-N 0 0 557.112 5.842 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000103253200 555344771 /nfs/dbraw/zinc/34/47/71/555344771.db2.gz CIGRUUSDDHPGLQ-OEAKJJBVSA-N 0 0 548.437 5.980 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103523287 555427521 /nfs/dbraw/zinc/42/75/21/555427521.db2.gz NSRMBQRBEXGSCF-RTOKGZNSSA-N 0 0 555.630 6.410 40 10 KKCBRN CC(=O)[C@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103531988 555432254 /nfs/dbraw/zinc/43/22/54/555432254.db2.gz AGMABDXTFNTTOJ-SDHSZQHLSA-N 0 0 521.922 6.381 40 10 KKCBRN COc1cc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000103538783 555437365 /nfs/dbraw/zinc/43/73/65/555437365.db2.gz BQTIQHYWWSOKNY-AYQJTBPPSA-N 0 0 571.629 6.029 40 10 KKCBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000103545647 555440454 /nfs/dbraw/zinc/44/04/54/555440454.db2.gz XRSTWELRHFXRQE-FCEKVYKBSA-N 0 0 576.996 5.809 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103547811 555441647 /nfs/dbraw/zinc/44/16/47/555441647.db2.gz AZKCTTHVOSEGNN-RTOKGZNSSA-N 0 0 599.639 5.945 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103560332 555448542 /nfs/dbraw/zinc/44/85/42/555448542.db2.gz GQPTZBISIPQPAV-AYQJTBPPSA-N 0 0 586.600 5.928 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103604591 555454672 /nfs/dbraw/zinc/45/46/72/555454672.db2.gz LKLNAGLQDRRRFX-JOPZDBJVSA-N 0 0 531.550 5.260 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000103606228 555454867 /nfs/dbraw/zinc/45/48/67/555454867.db2.gz LIIOFPNNXYSNFF-NOHZWYGJSA-N 0 0 523.463 5.391 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000103605988 555454902 /nfs/dbraw/zinc/45/49/02/555454902.db2.gz POOIXWTWKQHHGE-CEVOVPAXSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(SCCOc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103605220 555454939 /nfs/dbraw/zinc/45/49/39/555454939.db2.gz NKRDGOQURQIWHG-ICALIKLASA-N 0 0 563.617 5.642 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cccn4-c4ccc(Cl)c([N+](=O)[O-])c4)C3=N)S2)c1 ZINC000103605024 555454953 /nfs/dbraw/zinc/45/49/53/555454953.db2.gz AOLDAKWYZJMZOS-XYSYLGEOSA-N 0 0 520.958 5.045 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000103746349 555466659 /nfs/dbraw/zinc/46/66/59/555466659.db2.gz ONRVUXNPVLYTRO-JAIQZWGSSA-N 0 0 524.492 5.609 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000103748328 555467048 /nfs/dbraw/zinc/46/70/48/555467048.db2.gz PDQJOYYVAVLRNE-OVVQPSECSA-N 0 0 509.949 6.662 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103759113 555470834 /nfs/dbraw/zinc/47/08/34/555470834.db2.gz XHOWWTVNLMNVKW-UHFFFAOYSA-N 0 0 625.519 7.627 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000103759054 555470881 /nfs/dbraw/zinc/47/08/81/555470881.db2.gz AIBJTXLINSULMN-UHFFFAOYSA-N 0 0 563.448 6.447 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103761174 555471295 /nfs/dbraw/zinc/47/12/95/555471295.db2.gz QQRUUYZGAHVQAN-UHFFFAOYSA-N 0 0 617.883 7.274 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000103780270 555476061 /nfs/dbraw/zinc/47/60/61/555476061.db2.gz QQABFMURSRXTIO-NBQDTTAVSA-N 0 0 610.552 6.628 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103789222 555479122 /nfs/dbraw/zinc/47/91/22/555479122.db2.gz BEGPQXTUEJHVBG-GJFKPFFXSA-N 0 0 600.062 5.710 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789928 555479623 /nfs/dbraw/zinc/47/96/23/555479623.db2.gz UWYFUICNIUJEKF-IMMOAUGXSA-N 0 0 615.799 6.996 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000103790670 555480323 /nfs/dbraw/zinc/48/03/23/555480323.db2.gz IBLKXIRBDRUFLA-NNAGEYCMSA-N 0 0 536.657 5.073 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000103827322 555483421 /nfs/dbraw/zinc/48/34/21/555483421.db2.gz ZBRZUHXAKOKGCT-SJXDCSIJSA-N 0 0 603.716 5.142 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N(C)C1=S ZINC000103856117 571366141 /nfs/dbraw/zinc/36/61/41/571366141.db2.gz YDCIYVLCOBDXLB-UHFFFAOYSA-N 0 0 558.679 5.043 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000103855152 571365900 /nfs/dbraw/zinc/36/59/00/571365900.db2.gz MTUIAPMTAIJJLG-ZXVVBBHZSA-N 0 0 533.584 5.773 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000103855083 571365905 /nfs/dbraw/zinc/36/59/05/571365905.db2.gz KQZBVNFTCBCFIW-TURZUDJPSA-N 0 0 533.584 5.773 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855376 571366029 /nfs/dbraw/zinc/36/60/29/571366029.db2.gz NBBWVHOMJNQYKU-JWGURIENSA-N 0 0 527.920 6.400 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856237 571366113 /nfs/dbraw/zinc/36/61/13/571366113.db2.gz BGHWVQZVQMVXIK-UHFFFAOYSA-N 0 0 548.673 5.587 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000103858069 571366388 /nfs/dbraw/zinc/36/63/88/571366388.db2.gz NPQNAZYBSRYVEK-XDHOZWIPSA-N 0 0 556.210 5.457 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000103863444 571367870 /nfs/dbraw/zinc/36/78/70/571367870.db2.gz ONEXEZCEOIYYQD-LLXISZFLSA-N 0 0 624.162 6.005 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103867763 571368056 /nfs/dbraw/zinc/36/80/56/571368056.db2.gz ZLIRXBQKXBNBCJ-MTDXEUNCSA-N 0 0 622.816 7.043 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4nc5ccccc5s4)N=C3c3ccc(OC)cc3)cc2)cc1 ZINC000103921496 571369822 /nfs/dbraw/zinc/36/98/22/571369822.db2.gz VIIYYQCPXONZRO-BRPDVVIDSA-N 0 0 561.667 7.194 40 10 KKCBRN CN(C)c1ccc(/C(=C(/c2ccc(N(C)C)cc2)c2cccc(Br)c2)c2cccc(Br)c2)cc1 ZINC000104044581 571371749 /nfs/dbraw/zinc/37/17/49/571371749.db2.gz PSOKASIVTIGUDT-QVIHXGFCSA-N 0 0 576.376 8.351 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 ZINC000104071638 571372161 /nfs/dbraw/zinc/37/21/61/571372161.db2.gz DWCNZUBUOMHWHK-MPFGFTFXSA-N 0 0 544.538 6.050 40 10 KKCBRN COc1ccc(/N=N/C(=S)NNc2ccc(OC)cc2Oc2ccccc2)c(Oc2ccccc2)c1 ZINC000104074296 571372279 /nfs/dbraw/zinc/37/22/79/571372279.db2.gz GHEJTGRGOXTKBR-OWWNRXNESA-N 0 0 500.580 7.274 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104134027 571374518 /nfs/dbraw/zinc/37/45/18/571374518.db2.gz QXLSIGAZXDSPKZ-QPWMFTQFSA-N 0 0 542.591 5.509 40 10 KKCBRN Cc1ccc(NN=c2c3nc4ccccc4nc2n(-c2ccccc2C)c(=S)n3-c2ccc(C)cc2)cc1 ZINC000104191309 571376431 /nfs/dbraw/zinc/37/64/31/571376431.db2.gz GDSXSEZZZHSZAZ-KNWKATPGSA-N 0 0 514.658 8.332 40 10 KKCBRN CC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000104196721 571376658 /nfs/dbraw/zinc/37/66/58/571376658.db2.gz NJQRWEWZVYTPIW-UHFFFAOYSA-N 0 0 605.521 6.010 40 10 KKCBRN CCn1c2ccccc2c2cc(N)c(/N=N\c3cc(OC)c(/N=N/c4ccc([N+](=O)[O-])cc4)cc3OC)cc21 ZINC000104202915 571376894 /nfs/dbraw/zinc/37/68/94/571376894.db2.gz YYYCHOOQNHOCKU-DPNLOZQFSA-N 0 0 523.553 8.153 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 ZINC000104406049 571380927 /nfs/dbraw/zinc/38/09/27/571380927.db2.gz PHPSXZQOIYUJRW-UHFFFAOYSA-N 0 0 620.171 5.780 40 10 KKCBRN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 ZINC000104584851 571381570 /nfs/dbraw/zinc/38/15/70/571381570.db2.gz VHTFUHKPRPMNSU-MOSHPQCFSA-N 0 0 527.802 6.734 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645917 571381738 /nfs/dbraw/zinc/38/17/38/571381738.db2.gz IFMIVDWIGIUVCM-ISCCLHIJSA-N 0 0 539.495 6.702 40 10 KKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104645566 571381789 /nfs/dbraw/zinc/38/17/89/571381789.db2.gz FWGIVWBXENDXMB-YUXUKGBOSA-N 0 0 567.667 7.110 40 10 KKCBRN O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645488 571381797 /nfs/dbraw/zinc/38/17/97/571381797.db2.gz VUKWUSNBIOATGY-ATLLOTDBSA-N 0 0 525.424 5.805 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645830 571381862 /nfs/dbraw/zinc/38/18/62/571381862.db2.gz MCOONBZYPCGQST-ISCCLHIJSA-N 0 0 539.495 6.702 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646536 571382007 /nfs/dbraw/zinc/38/20/07/571382007.db2.gz LWZNTXSFVDHQBC-DFIYOIEZSA-N 0 0 529.431 6.224 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104646989 571382060 /nfs/dbraw/zinc/38/20/60/571382060.db2.gz DSOVMPPDZREWHU-QLODZENZSA-N 0 0 580.331 7.392 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104647125 571382072 /nfs/dbraw/zinc/38/20/72/571382072.db2.gz QGQAWGHRRCUYBG-ATLLOTDBSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104646999 571382078 /nfs/dbraw/zinc/38/20/78/571382078.db2.gz GYFCVSPNXLRNAE-RJYGXOMWSA-N 0 0 546.432 6.538 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104646967 571382087 /nfs/dbraw/zinc/38/20/87/571382087.db2.gz KWDWTVYFJUPXJF-DXMSMQRWSA-N 0 0 539.406 7.640 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647056 571382110 /nfs/dbraw/zinc/38/21/10/571382110.db2.gz OODQZOZUTOGLHH-OBWXTZQISA-N 0 0 540.299 7.928 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104646875 571382113 /nfs/dbraw/zinc/38/21/13/571382113.db2.gz SLQGXNXGJFBPEX-DXMSMQRWSA-N 0 0 540.299 7.928 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647024 571382114 /nfs/dbraw/zinc/38/21/14/571382114.db2.gz YLJMHTSEGPNHDJ-FYQCMVGJSA-N 0 0 527.517 7.918 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647464 571382140 /nfs/dbraw/zinc/38/21/40/571382140.db2.gz CVYWPZIJAXLPFR-YZUZCNPQSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647411 571382172 /nfs/dbraw/zinc/38/21/72/571382172.db2.gz SQWXNPBMYPYHDJ-RHGYRFJNSA-N 0 0 540.299 7.928 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647514 571382202 /nfs/dbraw/zinc/38/22/02/571382202.db2.gz QJXCGMZDJZEGRJ-ATLLOTDBSA-N 0 0 594.314 7.112 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647326 571382205 /nfs/dbraw/zinc/38/22/05/571382205.db2.gz WZDVENNYNBQJQR-GNBJCERTSA-N 0 0 561.487 6.647 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104647475 571382215 /nfs/dbraw/zinc/38/22/15/571382215.db2.gz LUBLONDCYSQFFH-GLDPYIMESA-N 0 0 539.406 7.640 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647345 571382236 /nfs/dbraw/zinc/38/22/36/571382236.db2.gz LAFRTYOTQRCXKE-YYULODDRSA-N 0 0 546.432 6.538 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647361 571382242 /nfs/dbraw/zinc/38/22/42/571382242.db2.gz JMOMVPZNEILAQW-OREGWCPLSA-N 0 0 527.517 7.918 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104647432 571382243 /nfs/dbraw/zinc/38/22/43/571382243.db2.gz MLAUYQRYVVDPBR-LZCXECNNSA-N 0 0 531.461 6.638 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648003 571382247 /nfs/dbraw/zinc/38/22/47/571382247.db2.gz CDBBQKTXTGYWOJ-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647849 571382333 /nfs/dbraw/zinc/38/23/33/571382333.db2.gz IGPIOMQLMIHSND-QFWOEDSFSA-N 0 0 539.097 7.073 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1Cl ZINC000104647881 571382355 /nfs/dbraw/zinc/38/23/55/571382355.db2.gz ANRFRROFXKMVII-CEYNDMKZSA-N 0 0 519.881 7.583 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647948 571382376 /nfs/dbraw/zinc/38/23/76/571382376.db2.gz NYRSKRRIDPKVQB-FYQCMVGJSA-N 0 0 541.069 6.302 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647685 571382378 /nfs/dbraw/zinc/38/23/78/571382378.db2.gz FGTMMRYGVANFNA-ATLLOTDBSA-N 0 0 519.881 7.583 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647591 571382392 /nfs/dbraw/zinc/38/23/92/571382392.db2.gz MOCXNRFBQDKQMJ-ANSQWYIGSA-N 0 0 559.913 7.047 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648384 571382483 /nfs/dbraw/zinc/38/24/83/571382483.db2.gz GYZHERLVICRGIR-XLNZFTOWSA-N 0 0 539.406 7.640 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648161 571382525 /nfs/dbraw/zinc/38/25/25/571382525.db2.gz KKMJMKNGFZQBNO-ATLLOTDBSA-N 0 0 604.320 6.568 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648479 571382648 /nfs/dbraw/zinc/38/26/48/571382648.db2.gz MKPYPJOPXFOKJG-CLCZQPDDSA-N 0 0 528.596 7.120 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648704 571382670 /nfs/dbraw/zinc/38/26/70/571382670.db2.gz FTVCANMPNFRURL-XLNZFTOWSA-N 0 0 549.958 6.894 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1 ZINC000104648807 571382775 /nfs/dbraw/zinc/38/27/75/571382775.db2.gz OJWLJYYEJGJYQZ-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000104649205 571382835 /nfs/dbraw/zinc/38/28/35/571382835.db2.gz USDBZFQRMLJQLE-PVTPYKNESA-N 0 0 529.061 7.760 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1OC ZINC000104649720 571382933 /nfs/dbraw/zinc/38/29/33/571382933.db2.gz CDDZPDRYRFMFGA-ASHZAFPQSA-N 0 0 537.594 5.248 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c(OC)c1 ZINC000104649518 571383011 /nfs/dbraw/zinc/38/30/11/571383011.db2.gz UOOAGZANEBHOBQ-WNGDZKDKSA-N 0 0 585.476 5.822 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c(OC)c1 ZINC000104649455 571383036 /nfs/dbraw/zinc/38/30/36/571383036.db2.gz JRVWECCOFWTUQY-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c(OC)c1 ZINC000104649459 571383042 /nfs/dbraw/zinc/38/30/42/571383042.db2.gz BXSNLEDBLRGZRM-DFXHWTJYSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104650158 571383112 /nfs/dbraw/zinc/38/31/12/571383112.db2.gz OVGADXHRLLCINI-WZOHSFFVSA-N 0 0 522.539 5.139 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650374 571383263 /nfs/dbraw/zinc/38/32/63/571383263.db2.gz IHAWJJNUEDCLPY-FVXXUCQHSA-N 0 0 557.513 7.743 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650428 571383296 /nfs/dbraw/zinc/38/32/96/571383296.db2.gz RMSYQINJRGVWTI-SRGWNRLKSA-N 0 0 550.305 7.383 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000104658615 571384691 /nfs/dbraw/zinc/38/46/91/571384691.db2.gz OGDSZTSSPWYKGM-WOSHRIRTSA-N 0 0 551.712 5.182 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000104660429 571384988 /nfs/dbraw/zinc/38/49/88/571384988.db2.gz PVAYSEIXPHMUTF-UHFFFAOYSA-N 0 0 534.568 6.863 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000104660523 571385020 /nfs/dbraw/zinc/38/50/20/571385020.db2.gz PZMMZFYOKUPHKJ-UHFFFAOYSA-N 0 0 534.346 5.023 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OCc1ccccc1F ZINC000104660517 571385022 /nfs/dbraw/zinc/38/50/22/571385022.db2.gz BMFCCJFFDUUSOL-UHFFFAOYSA-N 0 0 552.336 5.162 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3O)sc2=N1 ZINC000104676768 571385216 /nfs/dbraw/zinc/38/52/16/571385216.db2.gz JDQYLVIFRMUXRB-HDFSHUSISA-N 0 0 561.748 5.254 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000104677361 571385460 /nfs/dbraw/zinc/38/54/60/571385460.db2.gz JWOSCGGVKDQBQD-CZLAYTOTSA-N 0 0 545.749 5.548 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000105261127 571392389 /nfs/dbraw/zinc/39/23/89/571392389.db2.gz ADDCJVMJQJXQLR-QGLOCWFISA-N 0 0 518.352 5.029 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000105365536 571404421 /nfs/dbraw/zinc/40/44/21/571404421.db2.gz ULXKDSMHUHZNSI-UHFFFAOYSA-N 0 0 587.470 6.916 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000105455161 571404886 /nfs/dbraw/zinc/40/48/86/571404886.db2.gz PKPZYEHXSQRZFM-UHFFFAOYSA-N 0 0 584.435 5.447 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000105446786 571404887 /nfs/dbraw/zinc/40/48/87/571404887.db2.gz PIUGPSDGRXZJRQ-BCHBDCPOSA-N 0 0 606.810 6.266 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000105461475 571404971 /nfs/dbraw/zinc/40/49/71/571404971.db2.gz WGDONADCDYXRNQ-JJFYIABZSA-N 0 0 547.441 6.895 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000105498013 571405686 /nfs/dbraw/zinc/40/56/86/571405686.db2.gz WIZTXAPSEUFTEB-MDYVMDJYSA-N 0 0 633.770 5.890 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499720 571406176 /nfs/dbraw/zinc/40/61/76/571406176.db2.gz DKZJVDGMXZVQRB-VILXJFMTSA-N 0 0 616.787 5.939 40 10 KKCBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000105501705 571406782 /nfs/dbraw/zinc/40/67/82/571406782.db2.gz JNSYCOCGTWJHNU-PFBMLKJHSA-N 0 0 534.413 7.005 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3O)SC2=S)cc1 ZINC000105668275 571408128 /nfs/dbraw/zinc/40/81/28/571408128.db2.gz HFQWLEVVDHEPEC-VGOFMYFVSA-N 0 0 595.221 5.016 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000105669160 571408225 /nfs/dbraw/zinc/40/82/25/571408225.db2.gz NZRGGZOFCNFULH-CIAFOILYSA-N 0 0 516.427 6.627 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106685195 571413623 /nfs/dbraw/zinc/41/36/23/571413623.db2.gz FVSFFICAZMTAIK-QFEZKATASA-N 0 0 553.040 5.729 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106686737 571413769 /nfs/dbraw/zinc/41/37/69/571413769.db2.gz NXTVUUXKRSUDOQ-UUYOSTAYSA-N 0 0 562.860 6.897 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106687817 571413813 /nfs/dbraw/zinc/41/38/13/571413813.db2.gz MKSMIANTAUMJLS-PKAZHMFMSA-N 0 0 541.654 7.390 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106690784 571414003 /nfs/dbraw/zinc/41/40/03/571414003.db2.gz FRDVMPJZEGTJDF-YVNNLAQVSA-N 0 0 550.305 7.708 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222930650 571414257 /nfs/dbraw/zinc/41/42/57/571414257.db2.gz RHLNHCITXNNYKA-UHFFFAOYSA-N 0 0 514.091 5.315 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106700100 571414423 /nfs/dbraw/zinc/41/44/23/571414423.db2.gz QFMOCSYCZIEMKL-QFEZKATASA-N 0 0 553.040 5.729 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000106701617 571414532 /nfs/dbraw/zinc/41/45/32/571414532.db2.gz PVKNYNIMCPBPTA-VYYCAZPPSA-N 0 0 555.527 7.964 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106711923 571415414 /nfs/dbraw/zinc/41/54/14/571415414.db2.gz CUHQOEZIRYNMEG-UQQQWYQISA-N 0 0 507.656 5.037 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106715966 571415456 /nfs/dbraw/zinc/41/54/56/571415456.db2.gz PEPDBMPJVKPJHK-YUMHPJSZSA-N 0 0 539.528 8.685 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106718579 571415721 /nfs/dbraw/zinc/41/57/21/571415721.db2.gz SSUXUTLVBHMFSP-QFEZKATASA-N 0 0 506.549 7.503 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106745301 571417335 /nfs/dbraw/zinc/41/73/35/571417335.db2.gz WXBFYQRCGNSMBF-NHDPSOOVSA-N 0 0 501.486 6.258 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000108103006 571422350 /nfs/dbraw/zinc/42/23/50/571422350.db2.gz PBJDCHYKHPRFKP-HAHDFKILSA-N 0 0 500.507 5.060 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Br)c1 ZINC000223098075 571430782 /nfs/dbraw/zinc/43/07/82/571430782.db2.gz MOPSHYSRVGVJNB-DQEYMECFSA-N 0 0 509.517 6.557 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223155730 571437656 /nfs/dbraw/zinc/43/76/56/571437656.db2.gz LEVQQEMJZUURJI-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113623869 571441236 /nfs/dbraw/zinc/44/12/36/571441236.db2.gz RIHUKAFIVQMHPL-UHFFFAOYSA-N 0 0 590.145 5.811 40 10 KKCBRN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000113632630 571441854 /nfs/dbraw/zinc/44/18/54/571441854.db2.gz FANGHEWCEMAVRV-UHFFFAOYSA-N 0 0 566.045 5.861 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)c(Br)c1O ZINC000113830634 571442440 /nfs/dbraw/zinc/44/24/40/571442440.db2.gz QDWSZBOTJAUENB-WUXMJOGZSA-N 0 0 546.218 5.240 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1F ZINC000113830937 571442450 /nfs/dbraw/zinc/44/24/50/571442450.db2.gz NARPKIKBRFVNLR-YDZHTSKRSA-N 0 0 510.568 6.117 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830691 571442452 /nfs/dbraw/zinc/44/24/52/571442452.db2.gz CXEADFGJQATPCZ-WOJGMQOQSA-N 0 0 534.356 5.865 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2cccc3ccccc32)C1=O ZINC000113831155 571442485 /nfs/dbraw/zinc/44/24/85/571442485.db2.gz HEDURNOGLJUNHG-VCHYOVAHSA-N 0 0 535.282 6.779 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000113831171 571442526 /nfs/dbraw/zinc/44/25/26/571442526.db2.gz WGVYURCWFRUTOC-UHFFFAOYSA-N 0 0 534.637 6.331 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833391 571442584 /nfs/dbraw/zinc/44/25/84/571442584.db2.gz XJXYAZKCFKQAHP-UHFFFAOYSA-N 0 0 603.527 7.719 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000113833373 571442605 /nfs/dbraw/zinc/44/26/05/571442605.db2.gz WUXBPEKADJWWMJ-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223187949 571442606 /nfs/dbraw/zinc/44/26/06/571442606.db2.gz JZDWDRBFLMXIRK-CLJLJLNGSA-N 0 0 544.552 5.491 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000113836185 571442708 /nfs/dbraw/zinc/44/27/08/571442708.db2.gz JBWXPRFNNOUVIC-DEDYPNTBSA-N 0 0 513.438 5.838 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113834788 571442761 /nfs/dbraw/zinc/44/27/61/571442761.db2.gz OGGDOTIYJKAYDW-MFKUBSTISA-N 0 0 521.585 7.843 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113834435 571442769 /nfs/dbraw/zinc/44/27/69/571442769.db2.gz PDUPQJCJZCFMCZ-FOKLQQMPSA-N 0 0 540.453 7.310 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113838781 571442866 /nfs/dbraw/zinc/44/28/66/571442866.db2.gz RANSFSXRAAFUOQ-FSJBWODESA-N 0 0 540.453 7.310 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189521 571442901 /nfs/dbraw/zinc/44/29/01/571442901.db2.gz LTQQOLCFKSCKIS-PXJZQJOASA-N 0 0 517.743 5.109 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C/c5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916996 571444118 /nfs/dbraw/zinc/44/41/18/571444118.db2.gz YXNMFNAUZMYQMA-KUGYOFBVSA-N 0 0 559.879 9.719 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000138689921 571451818 /nfs/dbraw/zinc/45/18/18/571451818.db2.gz VYPFMBFJQMTZHU-UHFFFAOYSA-N 0 0 541.560 6.139 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000223309890 571458961 /nfs/dbraw/zinc/45/89/61/571458961.db2.gz FFUMQRRHTHILOR-NWVWQQAFSA-N 0 0 511.489 5.403 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000150343871 571459108 /nfs/dbraw/zinc/45/91/08/571459108.db2.gz QFPBLVCSNNNCBS-FQKMCRJQSA-N 0 0 637.543 5.119 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223332748 571461759 /nfs/dbraw/zinc/46/17/59/571461759.db2.gz ZXYHJZKLZXNEQN-IZLXSDGUSA-N 0 0 513.667 5.091 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223332780 571461769 /nfs/dbraw/zinc/46/17/69/571461769.db2.gz ZXYHJZKLZXNEQN-WUFINQPMSA-N 0 0 513.667 5.091 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000223346495 571463775 /nfs/dbraw/zinc/46/37/75/571463775.db2.gz JHWVDUIQBAGBPF-RPWUZVMVSA-N 0 0 507.457 6.017 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Br ZINC000223346247 571463798 /nfs/dbraw/zinc/46/37/98/571463798.db2.gz SCEPTZGJQSJHAJ-RPWUZVMVSA-N 0 0 507.457 6.017 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000150362837 571464079 /nfs/dbraw/zinc/46/40/79/571464079.db2.gz DPJVVDUGBDIECC-MRWVFDTMSA-N 0 0 684.559 6.239 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000150370865 571465796 /nfs/dbraw/zinc/46/57/96/571465796.db2.gz ZWIQEGNLIUETKL-ZMOGYAJESA-N 0 0 679.377 9.368 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)O2)cc1 ZINC000150386431 571469253 /nfs/dbraw/zinc/46/92/53/571469253.db2.gz DSVXLGNDGAHKRR-RGVLZGJSSA-N 0 0 620.224 6.765 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387916 571469814 /nfs/dbraw/zinc/46/98/14/571469814.db2.gz SXUROBZEZXPAMO-IHLOFXLRSA-N 0 0 509.723 6.508 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223410006 571472580 /nfs/dbraw/zinc/47/25/80/571472580.db2.gz LYRQKHRXZWDFCF-SXOMAYOGSA-N 0 0 536.623 6.689 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150390810 571473063 /nfs/dbraw/zinc/47/30/63/571473063.db2.gz MYFBCZCYSRVCHB-IVQFASICSA-N 0 0 645.612 6.174 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223422110 571474240 /nfs/dbraw/zinc/47/42/40/571474240.db2.gz JQCNMGBEMFXUCH-RRPNLBNLSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223426722 571474918 /nfs/dbraw/zinc/47/49/18/571474918.db2.gz QPOCNPCCIUFCNQ-NSOVKSMOSA-N 0 0 543.649 5.587 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223428397 571475131 /nfs/dbraw/zinc/47/51/31/571475131.db2.gz NJCNRFLGMVAYRO-MFMCTBQISA-N 0 0 510.707 6.541 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000150400222 571477940 /nfs/dbraw/zinc/47/79/40/571477940.db2.gz ADLKNMJFRJWHMB-NLRVBDNBSA-N 0 0 660.508 7.524 40 10 KKCBRN COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404974 571479150 /nfs/dbraw/zinc/47/91/50/571479150.db2.gz WAXKDOZZYGIANY-TYHGNQNSSA-N 0 0 718.756 5.103 40 10 KKCBRN S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2/N=N\c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000150405837 571479417 /nfs/dbraw/zinc/47/94/17/571479417.db2.gz BGJGIMZQNSOTPZ-YHZPTAEISA-N 0 0 637.415 10.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224118442 571479691 /nfs/dbraw/zinc/47/96/91/571479691.db2.gz HOUFKIORZSIURR-DXXCPFJCSA-N 0 0 655.312 7.639 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000224119785 571479991 /nfs/dbraw/zinc/47/99/91/571479991.db2.gz ADOMMSHWQMRIAH-CKUCSLQLSA-N 0 0 620.694 8.680 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Br ZINC000223461166 571480109 /nfs/dbraw/zinc/48/01/09/571480109.db2.gz UWUSSHCWHCKSHE-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224127469 571481775 /nfs/dbraw/zinc/48/17/75/571481775.db2.gz RTSZBRAPTQPOIG-MPLPQHJPSA-N 0 0 570.206 7.802 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224127516 571481786 /nfs/dbraw/zinc/48/17/86/571481786.db2.gz RTSZBRAPTQPOIG-ITLLMBSPSA-N 0 0 570.206 7.802 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224128510 571482003 /nfs/dbraw/zinc/48/20/03/571482003.db2.gz GRROYUDVQOYLTR-REDDFQDCSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224129110 571482179 /nfs/dbraw/zinc/48/21/79/571482179.db2.gz FBJFEZBNKXIRET-OTWWGAIPSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224129468 571482378 /nfs/dbraw/zinc/48/23/78/571482378.db2.gz BFLBQNPYUAUWAY-BAVULBIOSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224129770 571482445 /nfs/dbraw/zinc/48/24/45/571482445.db2.gz BIFRWAYSIDXLAL-CKUCSLQLSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224131818 571482896 /nfs/dbraw/zinc/48/28/96/571482896.db2.gz WXSNEIOQYBPBAR-RZKSXRECSA-N 0 0 600.232 7.811 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132811 571483004 /nfs/dbraw/zinc/48/30/04/571483004.db2.gz YBXRWHFILGLTIN-ZHCFPJTISA-N 0 0 641.329 8.648 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224132565 571483009 /nfs/dbraw/zinc/48/30/09/571483009.db2.gz KHEHUXLAUQWOJY-BDQLSBHJSA-N 0 0 613.275 7.868 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224132952 571483121 /nfs/dbraw/zinc/48/31/21/571483121.db2.gz UPIMPNZCVYCGPQ-HOZWTIGUSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224134026 571483317 /nfs/dbraw/zinc/48/33/17/571483317.db2.gz HWPSJXLURAERAV-YWCASELZSA-N 0 0 614.215 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224133893 571483359 /nfs/dbraw/zinc/48/33/59/571483359.db2.gz RZVXVCQKYSKXCS-GIMSFWJQSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224136022 571483731 /nfs/dbraw/zinc/48/37/31/571483731.db2.gz KGCPQDZDUYFZHS-KVDDGJCQSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224135977 571483787 /nfs/dbraw/zinc/48/37/87/571483787.db2.gz KGCPQDZDUYFZHS-OBIKLVFUSA-N 0 0 585.221 7.505 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)SC1=S)NCCc1ccccc1 ZINC000150413835 571484950 /nfs/dbraw/zinc/48/49/50/571484950.db2.gz CQCRIFQDUXLQNE-QVIHXGFCSA-N 0 0 696.986 5.757 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000150417173 571486105 /nfs/dbraw/zinc/48/61/05/571486105.db2.gz OIWBOSWVLXQCBK-ZFWDJNJRSA-N 0 0 645.406 6.275 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000224148057 571486236 /nfs/dbraw/zinc/48/62/36/571486236.db2.gz YCDCWVFOFKBFNT-PPBFFVFISA-N 0 0 556.179 7.494 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000224148308 571486290 /nfs/dbraw/zinc/48/62/90/571486290.db2.gz DKIWENXQQRHBJV-ITLLMBSPSA-N 0 0 586.205 7.502 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150421999 571487820 /nfs/dbraw/zinc/48/78/20/571487820.db2.gz WNFUDQNSHIQEIN-STBIYBPSSA-N 0 0 777.442 9.621 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150422721 571488439 /nfs/dbraw/zinc/48/84/39/571488439.db2.gz HBVJSAROFKGJLO-NDZAJKAJSA-N 0 0 787.448 9.076 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000150424864 571489492 /nfs/dbraw/zinc/48/94/92/571489492.db2.gz RORFXJYRSRKUGT-NDZAJKAJSA-N 0 0 695.997 9.125 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223520297 571492681 /nfs/dbraw/zinc/49/26/81/571492681.db2.gz OMNXEIZAJZIDNG-CFRMEGHHSA-N 0 0 568.537 6.843 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223520203 571492696 /nfs/dbraw/zinc/49/26/96/571492696.db2.gz PMKMELALNYISLD-MSXFZWOLSA-N 0 0 524.086 6.734 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000224203569 571495718 /nfs/dbraw/zinc/49/57/18/571495718.db2.gz VYOCEHIJWHVSEC-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224205793 571496409 /nfs/dbraw/zinc/49/64/09/571496409.db2.gz WGPMPSSNYJKOOS-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205645 571496453 /nfs/dbraw/zinc/49/64/53/571496453.db2.gz RYUUIYSCJFDVRO-IHLOFXLRSA-N 0 0 509.723 6.821 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208392 571497066 /nfs/dbraw/zinc/49/70/66/571497066.db2.gz KMXKONDUGOSPRF-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208268 571497154 /nfs/dbraw/zinc/49/71/54/571497154.db2.gz KMXKONDUGOSPRF-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223539767 571497903 /nfs/dbraw/zinc/49/79/03/571497903.db2.gz MZOZDLMQXPJIPJ-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223539881 571497906 /nfs/dbraw/zinc/49/79/06/571497906.db2.gz MZOZDLMQXPJIPJ-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223540125 571497995 /nfs/dbraw/zinc/49/79/95/571497995.db2.gz WMYMUSXFFAXMLP-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543174 571498451 /nfs/dbraw/zinc/49/84/51/571498451.db2.gz DIMSUNJKWITUOU-UIOOFZCWSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224224873 571500845 /nfs/dbraw/zinc/50/08/45/571500845.db2.gz QYURYJAXNSTAIE-IZZNHLLZSA-N 0 0 506.597 6.993 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCCN1CCN(C(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000150447611 571501448 /nfs/dbraw/zinc/50/14/48/571501448.db2.gz WJROASQPOYXRNB-LNUBEBADSA-N 0 0 746.018 5.332 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)SC1=S)Nc1ccc(I)cc1 ZINC000150451782 571503023 /nfs/dbraw/zinc/50/30/23/571503023.db2.gz ZGMJTPLOLSTBOP-QURGRASLSA-N 0 0 836.562 5.966 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)SC1=S)Nc1ccccc1C(F)(F)F ZINC000150451832 571503237 /nfs/dbraw/zinc/50/32/37/571503237.db2.gz XTVLKFASUHIOFL-OCEACIFDSA-N 0 0 776.872 8.354 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223567061 571503454 /nfs/dbraw/zinc/50/34/54/571503454.db2.gz HGJIJVIXGIMZLI-ICODJCHTSA-N 0 0 512.075 6.516 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000224235856 571503530 /nfs/dbraw/zinc/50/35/30/571503530.db2.gz VJIWNGBJQXGGQX-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223567138 571503704 /nfs/dbraw/zinc/50/37/04/571503704.db2.gz LNJRHJGNUYGCML-QWUOEIFBSA-N 0 0 512.075 6.516 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150455156 571504317 /nfs/dbraw/zinc/50/43/17/571504317.db2.gz CZNVOJMOBNVORG-XWFWGDPBSA-N 0 0 738.979 5.428 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150455124 571504338 /nfs/dbraw/zinc/50/43/38/571504338.db2.gz QLMOPMNVUMHPFT-LQAAPGBJSA-N 0 0 782.048 5.017 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224239813 571504398 /nfs/dbraw/zinc/50/43/98/571504398.db2.gz QPZREYWUJDYKEG-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224239687 571504461 /nfs/dbraw/zinc/50/44/61/571504461.db2.gz QPZREYWUJDYKEG-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150456577 571504782 /nfs/dbraw/zinc/50/47/82/571504782.db2.gz MXSNSZVPCXPUPU-ODLFYWEKSA-N 0 0 661.279 7.683 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224257734 571507989 /nfs/dbraw/zinc/50/79/89/571507989.db2.gz UMSWKZZIYVUMOO-KAYWLYCHSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224257992 571508139 /nfs/dbraw/zinc/50/81/39/571508139.db2.gz WYIIOBHPMZONDW-JSOSNVBQSA-N 0 0 537.733 6.120 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586069 571508161 /nfs/dbraw/zinc/50/81/61/571508161.db2.gz CLCMNBFZRJGATN-SMNNTEATSA-N 0 0 507.656 5.791 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000150469604 571508774 /nfs/dbraw/zinc/50/87/74/571508774.db2.gz NMWKCVLFUKVLBR-QURGRASLSA-N 0 0 722.550 7.370 40 10 KKCBRN CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCC[C@@H]3CC)C2=O)SC1=S ZINC000150470100 571509146 /nfs/dbraw/zinc/50/91/46/571509146.db2.gz FLDVHNDTWYIDOY-LXSRLNAYSA-N 0 0 681.028 6.622 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccn3)C2=O)SC1=S)Nc1ccccn1 ZINC000150470126 571509199 /nfs/dbraw/zinc/50/91/99/571509199.db2.gz DFKBRCFYKYFRHM-WCWDXBQESA-N 0 0 642.854 5.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224266642 571509950 /nfs/dbraw/zinc/50/99/50/571509950.db2.gz XVGPJXDLQRRSSA-SXOMAYOGSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224270865 571510651 /nfs/dbraw/zinc/51/06/51/571510651.db2.gz HUHNRMHLPYKICF-RRPNLBNLSA-N 0 0 521.517 7.590 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224272315 571510942 /nfs/dbraw/zinc/51/09/42/571510942.db2.gz GRIUOZDIDQONKC-IZLXSDGUSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224272705 571510979 /nfs/dbraw/zinc/51/09/79/571510979.db2.gz RKFMWACOEMCBOV-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224272843 571511156 /nfs/dbraw/zinc/51/11/56/571511156.db2.gz CKPAWFLBHGZIFG-VSGBNLITSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481050 571512285 /nfs/dbraw/zinc/51/22/85/571512285.db2.gz KFQPGUXJVWVUHT-LQKURTRISA-N 0 0 763.415 9.231 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224290521 571514420 /nfs/dbraw/zinc/51/44/20/571514420.db2.gz VDMSKDAVJFZIEB-JSOSNVBQSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224294860 571515657 /nfs/dbraw/zinc/51/56/57/571515657.db2.gz SCWUMRWWUSUNGW-RRPNLBNLSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224299698 571516891 /nfs/dbraw/zinc/51/68/91/571516891.db2.gz GOGIECUJPCSQHY-SXOMAYOGSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224304665 571517943 /nfs/dbraw/zinc/51/79/43/571517943.db2.gz UIMUHCBDJVYICI-SXOMAYOGSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307440 571518656 /nfs/dbraw/zinc/51/86/56/571518656.db2.gz PVNFEXIGKSWJFG-WUFINQPMSA-N 0 0 517.098 6.945 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1SC(Nc2ccc(I)cc2)=NC1=O)Nc1ccccc1 ZINC000150524578 571520326 /nfs/dbraw/zinc/52/03/26/571520326.db2.gz IZUDJBAHZSJZIS-FYJGNVAPSA-N 0 0 634.293 6.154 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224321393 571521473 /nfs/dbraw/zinc/52/14/73/571521473.db2.gz CWYFRIXNHXFQIO-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1 ZINC000224321013 571521507 /nfs/dbraw/zinc/52/15/07/571521507.db2.gz JHHYPKLUJVSBSG-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224321124 571521551 /nfs/dbraw/zinc/52/15/51/571521551.db2.gz PRTCAUSRBJYYLU-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000224330110 571523257 /nfs/dbraw/zinc/52/32/57/571523257.db2.gz LDDKMGSBEFAORG-KAYWLYCHSA-N 0 0 503.071 6.588 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223678039 571525194 /nfs/dbraw/zinc/52/51/94/571525194.db2.gz YVNLCFCMNVHZQT-PKTZIBPZSA-N 0 0 502.562 5.044 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000150670089 571528758 /nfs/dbraw/zinc/52/87/58/571528758.db2.gz HIZVTTGRBNDYGH-XODNFHPESA-N 0 0 658.126 6.639 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224368724 571531483 /nfs/dbraw/zinc/53/14/83/571531483.db2.gz RCEVOQVEOKTYBR-NSOVKSMOSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224372672 571532400 /nfs/dbraw/zinc/53/24/00/571532400.db2.gz LNZCIRLMQLMSBS-URLMMPGGSA-N 0 0 515.126 7.751 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223723581 571533014 /nfs/dbraw/zinc/53/30/14/571533014.db2.gz FPRNETUDUARXIN-ZEQRLZLVSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223723717 571533034 /nfs/dbraw/zinc/53/30/34/571533034.db2.gz FPRNETUDUARXIN-DNQXCXABSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223726041 571533381 /nfs/dbraw/zinc/53/33/81/571533381.db2.gz QZCROOIEYWWYJX-RPWUZVMVSA-N 0 0 517.482 5.722 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223726075 571533468 /nfs/dbraw/zinc/53/34/68/571533468.db2.gz QZCROOIEYWWYJX-BJKOFHAPSA-N 0 0 517.482 5.722 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000163232125 571533699 /nfs/dbraw/zinc/53/36/99/571533699.db2.gz RCCRCNMLJZKMKE-MRWVFDTMSA-N 0 0 718.458 7.093 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1 ZINC000224385649 571535283 /nfs/dbraw/zinc/53/52/83/571535283.db2.gz NRGYGGWRHPIBQJ-URLMMPGGSA-N 0 0 524.690 6.576 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000163312285 571535375 /nfs/dbraw/zinc/53/53/75/571535375.db2.gz UQAUGCFZLIAFBZ-UHFFFAOYSA-N 0 0 675.213 5.527 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163542398 571536534 /nfs/dbraw/zinc/53/65/34/571536534.db2.gz HKWVKGVVQCDRIX-KUSDHMTMSA-N 0 0 703.577 6.087 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402441 571538329 /nfs/dbraw/zinc/53/83/29/571538329.db2.gz ILPYHTPTCQKIHZ-URLMMPGGSA-N 0 0 513.686 6.652 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224402744 571538570 /nfs/dbraw/zinc/53/85/70/571538570.db2.gz KLYVVQJTDYVMCV-JWQCQUIFSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223760601 571539754 /nfs/dbraw/zinc/53/97/54/571539754.db2.gz VIGHUDMSHRLFHL-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1 ZINC000224417087 571541785 /nfs/dbraw/zinc/54/17/85/571541785.db2.gz KPGQQASWHXPLRC-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163725485 571541822 /nfs/dbraw/zinc/54/18/22/571541822.db2.gz TZANWOUNJYHWPK-VQMDLGMUSA-N 0 0 743.727 7.752 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224417493 571541900 /nfs/dbraw/zinc/54/19/00/571541900.db2.gz UXIIRMAYDXBMIV-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224417547 571541931 /nfs/dbraw/zinc/54/19/31/571541931.db2.gz UXIIRMAYDXBMIV-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163747729 571542528 /nfs/dbraw/zinc/54/25/28/571542528.db2.gz OYDGAGRRPNCQQD-PKYOQBLNSA-N 0 0 665.597 5.934 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223781535 571543180 /nfs/dbraw/zinc/54/31/80/571543180.db2.gz ZQZJEKPAPIQSGB-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223781400 571543216 /nfs/dbraw/zinc/54/32/16/571543216.db2.gz YBSLRWVVCFBSAV-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000224431748 571544545 /nfs/dbraw/zinc/54/45/45/571544545.db2.gz ULVDFXOQPLUMDN-RPBOFIJWSA-N 0 0 510.560 6.824 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000164193310 571544849 /nfs/dbraw/zinc/54/48/49/571544849.db2.gz CPVHHMDFJOXZJR-XHSDYDGRSA-N 0 0 661.824 6.670 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435613 571545307 /nfs/dbraw/zinc/54/53/07/571545307.db2.gz NDRBXWQWZUGREW-VMPREFPWSA-N 0 0 513.686 6.652 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435533 571545360 /nfs/dbraw/zinc/54/53/60/571545360.db2.gz NDRBXWQWZUGREW-WDYNHAJCSA-N 0 0 513.686 6.652 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223798675 571546045 /nfs/dbraw/zinc/54/60/45/571546045.db2.gz FQVGYCWHXHLTNZ-KAYWLYCHSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223802148 571546829 /nfs/dbraw/zinc/54/68/29/571546829.db2.gz DUGYWFQOVMFZRT-RRPNLBNLSA-N 0 0 537.516 7.372 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223802019 571546842 /nfs/dbraw/zinc/54/68/42/571546842.db2.gz DUGYWFQOVMFZRT-SVBPBHIXSA-N 0 0 537.516 7.372 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164473111 571548915 /nfs/dbraw/zinc/54/89/15/571548915.db2.gz AGDNYJVNYQGRGL-ADRXYBOHSA-N 0 0 656.082 8.473 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224450917 571548977 /nfs/dbraw/zinc/54/89/77/571548977.db2.gz ZSIOHOAFKLTPDI-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1 ZINC000224450663 571548979 /nfs/dbraw/zinc/54/89/79/571548979.db2.gz CKZMBMAYYPWVFE-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000164518110 571549008 /nfs/dbraw/zinc/54/90/08/571549008.db2.gz SMNUMILRNXBBGZ-ZRYJBNJPSA-N 0 0 638.587 6.106 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224455051 571549873 /nfs/dbraw/zinc/54/98/73/571549873.db2.gz HUZGZJXIDCBTBO-VMPREFPWSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224454921 571549889 /nfs/dbraw/zinc/54/98/89/571549889.db2.gz HUZGZJXIDCBTBO-FQLXRVMXSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224459378 571550763 /nfs/dbraw/zinc/55/07/63/571550763.db2.gz KQMYKTKSYPPJGU-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164791544 571551133 /nfs/dbraw/zinc/55/11/33/571551133.db2.gz PCWUYHLZVWRZFB-UHFFFAOYSA-N 0 0 690.388 7.999 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164791795 571551137 /nfs/dbraw/zinc/55/11/37/571551137.db2.gz BJWSOINQAVIZMN-UHFFFAOYSA-N 0 0 704.415 8.390 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000164801772 571551144 /nfs/dbraw/zinc/55/11/44/571551144.db2.gz KAHSUKFAXUJXRR-UHFFFAOYSA-N 0 0 627.560 7.402 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164809918 571551251 /nfs/dbraw/zinc/55/12/51/571551251.db2.gz GATWYQNYUPUPST-UHFFFAOYSA-N 0 0 686.584 7.700 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164811809 571551261 /nfs/dbraw/zinc/55/12/61/571551261.db2.gz YEQCXYVVZJHXKJ-UHFFFAOYSA-N 0 0 664.883 7.116 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164807340 571551265 /nfs/dbraw/zinc/55/12/65/571551265.db2.gz MWEYGEXIRMZBGZ-UHFFFAOYSA-N 0 0 666.355 8.317 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164808809 571551266 /nfs/dbraw/zinc/55/12/66/571551266.db2.gz QPTPROZWRPOKHR-UHFFFAOYSA-N 0 0 717.516 7.377 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164811040 571551339 /nfs/dbraw/zinc/55/13/39/571551339.db2.gz XUYDDBMJMNJKDF-UHFFFAOYSA-N 0 0 645.937 7.890 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224463401 571551711 /nfs/dbraw/zinc/55/17/11/571551711.db2.gz YEMNHGPQHFLBTQ-RPBOFIJWSA-N 0 0 527.015 7.338 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000167087423 571552628 /nfs/dbraw/zinc/55/26/28/571552628.db2.gz SHHYUDJFLFQNER-HSUOJCLFSA-N 0 0 509.650 5.304 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466946 571552690 /nfs/dbraw/zinc/55/26/90/571552690.db2.gz JJXWZXSJKKDHBV-WDYNHAJCSA-N 0 0 530.141 7.166 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469938 571553416 /nfs/dbraw/zinc/55/34/16/571553416.db2.gz DWJPWJCTBWMLLD-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470272 571553537 /nfs/dbraw/zinc/55/35/37/571553537.db2.gz PTMTVFMCYCMAPU-IAPPQJPRSA-N 0 0 501.099 7.190 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223821788 571556185 /nfs/dbraw/zinc/55/61/85/571556185.db2.gz XGVVRDQDUUWONJ-NSOVKSMOSA-N 0 0 512.635 5.794 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224481569 571556205 /nfs/dbraw/zinc/55/62/05/571556205.db2.gz XLYSVHDZCOEWEI-CLJLJLNGSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223822317 571556396 /nfs/dbraw/zinc/55/63/96/571556396.db2.gz ONJWIGLADNVUOS-IZLXSDGUSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223822702 571556538 /nfs/dbraw/zinc/55/65/38/571556538.db2.gz RYTDXTSQPJAILV-VSGBNLITSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000223824182 571556832 /nfs/dbraw/zinc/55/68/32/571556832.db2.gz HZDQYDLUJHDXNW-MFMCTBQISA-N 0 0 510.707 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224485203 571557127 /nfs/dbraw/zinc/55/71/27/571557127.db2.gz OULIMURSTVLGLL-RPBOFIJWSA-N 0 0 571.466 7.448 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000224486167 571557469 /nfs/dbraw/zinc/55/74/69/571557469.db2.gz MUEDWGGWYQCFCU-JWQCQUIFSA-N 0 0 519.512 6.653 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000169686228 571558291 /nfs/dbraw/zinc/55/82/91/571558291.db2.gz JVJGTRBIYMNBEO-SDHSZQHLSA-N 0 0 507.929 5.188 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224494626 571559851 /nfs/dbraw/zinc/55/98/51/571559851.db2.gz HWDSARYMPYVDFH-DQEYMECFSA-N 0 0 571.466 7.448 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224494870 571559858 /nfs/dbraw/zinc/55/98/58/571559858.db2.gz BJYXXBLLLDZPDH-KAYWLYCHSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1F ZINC000224495078 571559922 /nfs/dbraw/zinc/55/99/22/571559922.db2.gz BEXUPPJCFACCFF-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224497121 571560455 /nfs/dbraw/zinc/56/04/55/571560455.db2.gz KXZGRHRKJQYZCQ-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224499073 571561024 /nfs/dbraw/zinc/56/10/24/571561024.db2.gz BPHUXLKVTMSLCC-DQEYMECFSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224499912 571561242 /nfs/dbraw/zinc/56/12/42/571561242.db2.gz ABYGESZIKAPAHT-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501076 571561566 /nfs/dbraw/zinc/56/15/66/571561566.db2.gz OJYCRWPERQVXNQ-FTJBHMTQSA-N 0 0 578.492 6.346 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501983 571561644 /nfs/dbraw/zinc/56/16/44/571561644.db2.gz IHJLMEBOSKXCKZ-IZZNHLLZSA-N 0 0 567.940 7.091 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ncccc1C ZINC000224502698 571561905 /nfs/dbraw/zinc/56/19/05/571561905.db2.gz RZKZGZMFJFDXGH-DNQXCXABSA-N 0 0 518.484 6.132 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861047 571563411 /nfs/dbraw/zinc/56/34/11/571563411.db2.gz NOXBIXKNWGTMAC-WDYNHAJCSA-N 0 0 511.695 6.218 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224515187 571564263 /nfs/dbraw/zinc/56/42/63/571564263.db2.gz SBXSTXSTOYKZAV-DQEYMECFSA-N 0 0 519.468 6.129 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224515936 571564385 /nfs/dbraw/zinc/56/43/85/571564385.db2.gz QRWSVMJOAXQSDQ-FTJBHMTQSA-N 0 0 561.505 6.215 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224520589 571565326 /nfs/dbraw/zinc/56/53/26/571565326.db2.gz MGMFJRKRJWOLOC-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224530455 571567536 /nfs/dbraw/zinc/56/75/36/571567536.db2.gz SNWUPINSVFMTQO-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534568 571568456 /nfs/dbraw/zinc/56/84/56/571568456.db2.gz CRVQNCLLEMXMJZ-LOYHVIPDSA-N 0 0 525.722 6.521 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534718 571568654 /nfs/dbraw/zinc/56/86/54/571568654.db2.gz CRVQNCLLEMXMJZ-KYJUHHDHSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224536782 571569107 /nfs/dbraw/zinc/56/91/07/571569107.db2.gz HVOLQUVUNMPWHR-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224536568 571569114 /nfs/dbraw/zinc/56/91/14/571569114.db2.gz YBHDAYXYKJCPAS-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c1 ZINC000224536852 571569154 /nfs/dbraw/zinc/56/91/54/571569154.db2.gz AABAFHDCNCZHST-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccccc2)c1 ZINC000205682553 571569867 /nfs/dbraw/zinc/56/98/67/571569867.db2.gz CEGNBSXEWCKOOM-WGOQTCKBSA-N 0 0 517.607 6.257 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223898910 571570649 /nfs/dbraw/zinc/57/06/49/571570649.db2.gz POBYLUQAYVIJRA-FQLXRVMXSA-N 0 0 510.711 5.798 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223898959 571570655 /nfs/dbraw/zinc/57/06/55/571570655.db2.gz POBYLUQAYVIJRA-WDYNHAJCSA-N 0 0 510.711 5.798 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902481 571571437 /nfs/dbraw/zinc/57/14/37/571571437.db2.gz XLPWVNHFVFNBES-WUFINQPMSA-N 0 0 532.113 6.394 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223903001 571571585 /nfs/dbraw/zinc/57/15/85/571571585.db2.gz ZPVLBOZFYMGSMY-JDXGNMNLSA-N 0 0 509.723 6.603 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000206208047 571572284 /nfs/dbraw/zinc/57/22/84/571572284.db2.gz DOJHVZWLTSZBQS-BUVRLJJBSA-N 0 0 512.052 6.732 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000206292760 571572665 /nfs/dbraw/zinc/57/26/65/571572665.db2.gz FHWGZYMSEYHPSV-OEAKJJBVSA-N 0 0 526.477 6.751 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)c1 ZINC000224551217 571572685 /nfs/dbraw/zinc/57/26/85/571572685.db2.gz JGRPAYLXYHUSAM-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C ZINC000224551378 571572740 /nfs/dbraw/zinc/57/27/40/571572740.db2.gz HCXBUQTVNIVKNG-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000206885667 571573045 /nfs/dbraw/zinc/57/30/45/571573045.db2.gz AINNGUGXZZUTOF-HZHRSRAPSA-N 0 0 525.051 5.864 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000206906003 571573050 /nfs/dbraw/zinc/57/30/50/571573050.db2.gz RWHVLZROCRBQRS-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000206908124 571573063 /nfs/dbraw/zinc/57/30/63/571573063.db2.gz LXANJPZMDQZQOI-UFFVCSGVSA-N 0 0 658.810 7.543 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208218950 571573377 /nfs/dbraw/zinc/57/33/77/571573377.db2.gz NNFNPBURIWUBRM-RANIVTSPSA-N 0 0 528.472 5.846 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000208254642 571573562 /nfs/dbraw/zinc/57/35/62/571573562.db2.gz HPVNDVUWLAKUNT-IPZKOZABSA-N 0 0 501.414 5.247 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000224555965 571573624 /nfs/dbraw/zinc/57/36/24/571573624.db2.gz FZSSSECGFJIFRO-KYJUHHDHSA-N 0 0 539.705 5.511 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21 ZINC000208256200 571573687 /nfs/dbraw/zinc/57/36/87/571573687.db2.gz GSUBHCFBTSCSGP-FGJCKKKHSA-N 0 0 518.466 6.390 40 10 KKCBRN CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208306215 571573688 /nfs/dbraw/zinc/57/36/88/571573688.db2.gz MCRZYIGSJNOCEM-NXUSMQHESA-N 0 0 542.499 6.236 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000208354869 571573849 /nfs/dbraw/zinc/57/38/49/571573849.db2.gz PTGHSPWXNCUHPD-VIYYDIFJSA-N 0 0 654.558 5.125 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000208383761 571574119 /nfs/dbraw/zinc/57/41/19/571574119.db2.gz CLHQZABDNPHIMY-POKSHJSXSA-N 0 0 595.671 5.621 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000208385516 571574348 /nfs/dbraw/zinc/57/43/48/571574348.db2.gz MHVWJEZXLSVTFS-SWBDNCPRSA-N 0 0 619.762 6.606 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000208636834 571574637 /nfs/dbraw/zinc/57/46/37/571574637.db2.gz VAQLNYXJQQDRNN-NSIKDUERSA-N 0 0 519.667 6.279 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(C)c1 ZINC000208654595 571574748 /nfs/dbraw/zinc/57/47/48/571574748.db2.gz OMDHIVYLNBCRFZ-UUYOSTAYSA-N 0 0 607.364 7.952 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208661609 571574769 /nfs/dbraw/zinc/57/47/69/571574769.db2.gz WPTZYIGLRDKNHX-BKUYFWCQSA-N 0 0 583.488 6.552 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000208654629 571574772 /nfs/dbraw/zinc/57/47/72/571574772.db2.gz KFZHCRWJUUAJPA-UUYOSTAYSA-N 0 0 580.993 7.864 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000208664843 571574827 /nfs/dbraw/zinc/57/48/27/571574827.db2.gz ZKPLQMZLLPGHDJ-YVNNLAQVSA-N 0 0 547.441 6.895 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208669953 571574962 /nfs/dbraw/zinc/57/49/62/571574962.db2.gz GHMLJFTVUMBGAF-JAIQZWGSSA-N 0 0 513.940 6.355 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208707485 571575073 /nfs/dbraw/zinc/57/50/73/571575073.db2.gz SEOOEEDTEFTHSK-JJFYIABZSA-N 0 0 553.986 7.491 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223921334 571575800 /nfs/dbraw/zinc/57/58/00/571575800.db2.gz VHHYFEKTHUBQIA-FQLXRVMXSA-N 0 0 577.676 6.522 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000224565682 571575932 /nfs/dbraw/zinc/57/59/32/571575932.db2.gz IQXAUXOSFUKKNI-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000223924336 571576315 /nfs/dbraw/zinc/57/63/15/571576315.db2.gz ATPMTGNSYXBGCZ-UHFFFAOYSA-N 0 0 574.541 5.206 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C(=Cc4ccc5c6ccccc6n(CC)c5c4)NC(=O)c4ccccc4)c3)C2=O)cc1 ZINC000211452516 571576445 /nfs/dbraw/zinc/57/64/45/571576445.db2.gz TYLIMLRFSJRQCE-MNMTYVCRSA-N 0 0 736.850 7.825 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223926541 571576916 /nfs/dbraw/zinc/57/69/16/571576916.db2.gz TVZVZSGLWUNCEE-FQLXRVMXSA-N 0 0 560.123 5.862 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000224570096 571576992 /nfs/dbraw/zinc/57/69/92/571576992.db2.gz KIDMXCWUPLFYBD-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223930537 571577705 /nfs/dbraw/zinc/57/77/05/571577705.db2.gz HNFXMDWLYHJUHT-LQJZCPKCSA-N 0 0 559.739 6.656 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F ZINC000223932823 571578128 /nfs/dbraw/zinc/57/81/28/571578128.db2.gz VSRYPKJFSZRWGZ-WDYNHAJCSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223933980 571578251 /nfs/dbraw/zinc/57/82/51/571578251.db2.gz IPFVUDCDWQTYIP-FQLXRVMXSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223933831 571578314 /nfs/dbraw/zinc/57/83/14/571578314.db2.gz FJBZOXUMXXFMSW-URLMMPGGSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223934743 571578389 /nfs/dbraw/zinc/57/83/89/571578389.db2.gz MNIILQPJYHHINU-FQLXRVMXSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000223938027 571579151 /nfs/dbraw/zinc/57/91/51/571579151.db2.gz LHLDCLZMUHIPMR-IOWSJCHKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223938437 571579289 /nfs/dbraw/zinc/57/92/89/571579289.db2.gz UMQKAUPPLBCECB-FIRIVFDPSA-N 0 0 537.733 6.120 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214495169 571579541 /nfs/dbraw/zinc/57/95/41/571579541.db2.gz WBWPPCFPEZEPQZ-JFLMPSFJSA-N 0 0 574.659 6.003 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000214486108 571579565 /nfs/dbraw/zinc/57/95/65/571579565.db2.gz IBQFXUHYRYIKRF-YZSQISJMSA-N 0 0 515.635 5.787 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223939945 571579824 /nfs/dbraw/zinc/57/98/24/571579824.db2.gz UKFMWAYBJWTSKY-IHLOFXLRSA-N 0 0 558.151 6.465 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940684 571579923 /nfs/dbraw/zinc/57/99/23/571579923.db2.gz XJAYOELTTGJRIU-IHLOFXLRSA-N 0 0 584.702 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592272 571582159 /nfs/dbraw/zinc/58/21/59/571582159.db2.gz NAXGIVDKUILUNI-RPBOFIJWSA-N 0 0 508.569 6.391 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000215009184 571582488 /nfs/dbraw/zinc/58/24/88/571582488.db2.gz ROLBNTJYJNJXOY-LGJNPRDNSA-N 0 0 586.497 7.563 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223956073 571583209 /nfs/dbraw/zinc/58/32/09/571583209.db2.gz OEAGFIRQMKGKLD-LOYHVIPDSA-N 0 0 567.715 5.289 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223956306 571583308 /nfs/dbraw/zinc/58/33/08/571583308.db2.gz MZAPCBCIINWZAR-LOYHVIPDSA-N 0 0 567.715 5.289 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000215279816 571584405 /nfs/dbraw/zinc/58/44/05/571584405.db2.gz KSVJFTCQQXICPL-CVKSISIWSA-N 0 0 525.045 7.141 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Br ZINC000224603775 571584593 /nfs/dbraw/zinc/58/45/93/571584593.db2.gz JAUZLBJBODOYSL-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224606272 571585132 /nfs/dbraw/zinc/58/51/32/571585132.db2.gz SRIOLSVZWUILHZ-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609283 571585785 /nfs/dbraw/zinc/58/57/85/571585785.db2.gz KVHIMXUMHIKXBD-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223972811 571586398 /nfs/dbraw/zinc/58/63/98/571586398.db2.gz OZYWTQMUWVGGBU-SVBPBHIXSA-N 0 0 549.622 6.643 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223973343 571586660 /nfs/dbraw/zinc/58/66/60/571586660.db2.gz SXSOTQHYRKLLLS-WDYNHAJCSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223975045 571586924 /nfs/dbraw/zinc/58/69/24/571586924.db2.gz LECDYSUDEXAHCB-RRPNLBNLSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223975389 571587033 /nfs/dbraw/zinc/58/70/33/571587033.db2.gz VBZSUNKRDUYZFG-SVBPBHIXSA-N 0 0 560.521 6.387 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223976151 571587230 /nfs/dbraw/zinc/58/72/30/571587230.db2.gz JYGIPECLMQFLJH-IZLXSDGUSA-N 0 0 511.651 5.633 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223979834 571587931 /nfs/dbraw/zinc/58/79/31/571587931.db2.gz UTBIMLGNBDTCTG-WUFINQPMSA-N 0 0 530.097 6.586 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223979597 571587988 /nfs/dbraw/zinc/58/79/88/571587988.db2.gz XKHFLEOJAZYLIB-MFMCTBQISA-N 0 0 523.706 6.550 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223980188 571587996 /nfs/dbraw/zinc/58/79/96/571587996.db2.gz WQJZIDUVSCSRSU-VSGBNLITSA-N 0 0 556.648 5.541 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223980612 571588064 /nfs/dbraw/zinc/58/80/64/571588064.db2.gz FTFOBZCEFHUROT-VSGBNLITSA-N 0 0 530.097 6.586 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223980432 571588138 /nfs/dbraw/zinc/58/81/38/571588138.db2.gz FTFOBZCEFHUROT-NSOVKSMOSA-N 0 0 530.097 6.586 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000224635418 571591648 /nfs/dbraw/zinc/59/16/48/571591648.db2.gz VCPRCHDEDHKMAH-ROJLCIKYSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224635814 571591786 /nfs/dbraw/zinc/59/17/86/571591786.db2.gz BTGHJYPXIIAETK-ZWXJPIIXSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224635638 571591835 /nfs/dbraw/zinc/59/18/35/571591835.db2.gz LSKDKAWNWDLCHH-ZWXJPIIXSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000224636629 571591958 /nfs/dbraw/zinc/59/19/58/571591958.db2.gz XBQUAHBEMVJSRR-IOWSJCHKSA-N 0 0 534.660 7.598 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223996390 571592011 /nfs/dbraw/zinc/59/20/11/571592011.db2.gz QKEOTLUXZIIZAA-VSGBNLITSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224636893 571592129 /nfs/dbraw/zinc/59/21/29/571592129.db2.gz VNIUIZSLNAIMFN-CONSDPRKSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224636960 571592177 /nfs/dbraw/zinc/59/21/77/571592177.db2.gz KVYBBZHLIRQCQN-FIRIVFDPSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224637345 571592328 /nfs/dbraw/zinc/59/23/28/571592328.db2.gz ITOWKMRIMGZOFB-FIRIVFDPSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000224638309 571592539 /nfs/dbraw/zinc/59/25/39/571592539.db2.gz NZWQPOLBRGKRIW-IOWSJCHKSA-N 0 0 532.669 7.164 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639911 571592834 /nfs/dbraw/zinc/59/28/34/571592834.db2.gz KZVWHZLZKIIMBY-GPOMZPHUSA-N 0 0 587.793 8.305 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224001769 571593162 /nfs/dbraw/zinc/59/31/62/571593162.db2.gz NBVRDBHLVUSRPS-UIOOFZCWSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224641138 571593218 /nfs/dbraw/zinc/59/32/18/571593218.db2.gz VRYJGICUTCYJQJ-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224642395 571593409 /nfs/dbraw/zinc/59/34/09/571593409.db2.gz RZBYSVSLPLPTLZ-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224643545 571593542 /nfs/dbraw/zinc/59/35/42/571593542.db2.gz CDWOXIZEPASZMN-IOWSJCHKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br ZINC000224014593 571595519 /nfs/dbraw/zinc/59/55/19/571595519.db2.gz IJRSYVYCSCWVNN-UIOOFZCWSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224016916 571595899 /nfs/dbraw/zinc/59/58/99/571595899.db2.gz KLSRDIJKCHZTSJ-WUFINQPMSA-N 0 0 511.651 5.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1C ZINC000224019790 571596435 /nfs/dbraw/zinc/59/64/35/571596435.db2.gz PZRKCZXILLYDMR-KAYWLYCHSA-N 0 0 517.054 6.357 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 ZINC000224654930 571596555 /nfs/dbraw/zinc/59/65/55/571596555.db2.gz TZVPDDFAPJIZDM-KYJUHHDHSA-N 0 0 502.643 7.150 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020712 571596578 /nfs/dbraw/zinc/59/65/78/571596578.db2.gz XUGAEVNGNDDKIP-XRKRLSELSA-N 0 0 510.663 6.266 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224660224 571597754 /nfs/dbraw/zinc/59/77/54/571597754.db2.gz CMUJTKBVEWZIAI-ZPGRZCPFSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224668023 571599138 /nfs/dbraw/zinc/59/91/38/571599138.db2.gz ZIYIWPYACFANRB-LQFQNGICSA-N 0 0 580.757 8.920 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C ZINC000224668807 571599393 /nfs/dbraw/zinc/59/93/93/571599393.db2.gz WYVIKYYFSIXVOS-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224670929 571599690 /nfs/dbraw/zinc/59/96/90/571599690.db2.gz NQSNBVRFJNGMLD-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Br ZINC000224671335 571599833 /nfs/dbraw/zinc/59/98/33/571599833.db2.gz FDEISOAMQSCMRB-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224672260 571599996 /nfs/dbraw/zinc/59/99/96/571599996.db2.gz UHVPSUQSHRHIGA-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673543 571600365 /nfs/dbraw/zinc/60/03/65/571600365.db2.gz OVBXXYZEHGKDKK-MPQUPPDSSA-N 0 0 601.820 8.613 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224673286 571600425 /nfs/dbraw/zinc/60/04/25/571600425.db2.gz TVXOOBNVHUCGCP-NOCHOARKSA-N 0 0 573.766 7.833 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224040847 571600460 /nfs/dbraw/zinc/60/04/60/571600460.db2.gz BXERQYOOHPKEFC-ZWXJPIIXSA-N 0 0 618.203 6.181 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224673965 571600548 /nfs/dbraw/zinc/60/05/48/571600548.db2.gz AYXZGGSPWPALNE-AJQTZOPKSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ncccc1C ZINC000224677220 571601330 /nfs/dbraw/zinc/60/13/30/571601330.db2.gz LSFWBOIAXGVXHA-IOWSJCHKSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000224050551 571602159 /nfs/dbraw/zinc/60/21/59/571602159.db2.gz NWZJDAWSYKOVQL-NSOVKSMOSA-N 0 0 533.097 6.345 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224052302 571602494 /nfs/dbraw/zinc/60/24/94/571602494.db2.gz OVNJHRJVKWIWHL-IZLXSDGUSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224054410 571602943 /nfs/dbraw/zinc/60/29/43/571602943.db2.gz BUBCNLWDIGQNGZ-IZLXSDGUSA-N 0 0 549.096 6.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224054647 571602984 /nfs/dbraw/zinc/60/29/84/571602984.db2.gz IKDHPTVRWAAYBF-IZLXSDGUSA-N 0 0 549.096 6.050 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056286 571603323 /nfs/dbraw/zinc/60/33/23/571603323.db2.gz QOLTUCYZQHZMCS-ZWXJPIIXSA-N 0 0 604.220 7.191 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224057080 571603371 /nfs/dbraw/zinc/60/33/71/571603371.db2.gz HIMPYYNLVCCIIC-XZWHSSHBSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224056736 571603490 /nfs/dbraw/zinc/60/34/90/571603490.db2.gz OBAAOCLONKTUGL-NSOVKSMOSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224057699 571603683 /nfs/dbraw/zinc/60/36/83/571603683.db2.gz VQMCSIKFAZSUER-IHLOFXLRSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224058061 571603842 /nfs/dbraw/zinc/60/38/42/571603842.db2.gz ZVLYMCNNEDDNAX-FQLXRVMXSA-N 0 0 577.106 6.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000224058999 571604133 /nfs/dbraw/zinc/60/41/33/571604133.db2.gz GTSYJYHMMRSDAZ-FQLXRVMXSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224060887 571604496 /nfs/dbraw/zinc/60/44/96/571604496.db2.gz PIHPYUDPBMSAMV-VSGBNLITSA-N 0 0 548.112 6.048 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000222247079 571604896 /nfs/dbraw/zinc/60/48/96/571604896.db2.gz LEAFKDDUVRBFCD-ZONZVBGPSA-N 0 0 578.418 5.811 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224690177 571605088 /nfs/dbraw/zinc/60/50/88/571605088.db2.gz WMMKLJHSOXRTPP-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000224075653 571606791 /nfs/dbraw/zinc/60/67/91/571606791.db2.gz PLRBZRUZYKCKOA-FQLXRVMXSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1F ZINC000224704284 571606943 /nfs/dbraw/zinc/60/69/43/571606943.db2.gz YEVBQYNQNUSKEB-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224705311 571606991 /nfs/dbraw/zinc/60/69/91/571606991.db2.gz QJTFRIGXSUNJJK-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224705113 571606993 /nfs/dbraw/zinc/60/69/93/571606993.db2.gz KOFNBTFFSYRIPV-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224705839 571606998 /nfs/dbraw/zinc/60/69/98/571606998.db2.gz XMFRBTSURXQIIC-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1O ZINC000224706004 571607098 /nfs/dbraw/zinc/60/70/98/571607098.db2.gz MLDJVJHVNJTZMH-ROJLCIKYSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224080208 571607246 /nfs/dbraw/zinc/60/72/46/571607246.db2.gz LDCJXZNGJNXDBC-LQJZCPKCSA-N 0 0 608.812 6.406 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224708504 571607575 /nfs/dbraw/zinc/60/75/75/571607575.db2.gz FMFVTDNEIKXMHJ-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224709238 571607578 /nfs/dbraw/zinc/60/75/78/571607578.db2.gz SXXLDJBBMOBYLP-VLZNPVHKSA-N 0 0 572.778 8.692 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224708976 571607636 /nfs/dbraw/zinc/60/76/36/571607636.db2.gz GWKIAJFWMRLGDS-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224709287 571607688 /nfs/dbraw/zinc/60/76/88/571607688.db2.gz SXXLDJBBMOBYLP-OQBISYOISA-N 0 0 572.778 8.692 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224709644 571607817 /nfs/dbraw/zinc/60/78/17/571607817.db2.gz COSOTIWOGCZPJC-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224709728 571607834 /nfs/dbraw/zinc/60/78/34/571607834.db2.gz COSOTIWOGCZPJC-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224085075 571607973 /nfs/dbraw/zinc/60/79/73/571607973.db2.gz QZJFMUDLMBAJAN-WDYNHAJCSA-N 0 0 574.150 6.928 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224711576 571608269 /nfs/dbraw/zinc/60/82/69/571608269.db2.gz FSTJZOJDEDFCGF-AJQTZOPKSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224091251 571608617 /nfs/dbraw/zinc/60/86/17/571608617.db2.gz YTZWZJKIMXTKFH-WDYNHAJCSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224091886 571608790 /nfs/dbraw/zinc/60/87/90/571608790.db2.gz CWBLZRUTNFYYTF-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224092830 571608802 /nfs/dbraw/zinc/60/88/02/571608802.db2.gz DICTWYGRAYXMAO-FQLXRVMXSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224093453 571608965 /nfs/dbraw/zinc/60/89/65/571608965.db2.gz DAANDPXPULAMOE-VMPREFPWSA-N 0 0 539.705 6.275 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094879 571609174 /nfs/dbraw/zinc/60/91/74/571609174.db2.gz PJZOCLCQPJHELY-CZNDPXEESA-N 0 0 594.829 7.415 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224095584 571609250 /nfs/dbraw/zinc/60/92/50/571609250.db2.gz ZSWCQCJMMNXKBA-FIRIVFDPSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224096043 571609350 /nfs/dbraw/zinc/60/93/50/571609350.db2.gz JQJZONHWOOGAOI-BVRKHOPBSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224096088 571609377 /nfs/dbraw/zinc/60/93/77/571609377.db2.gz JQJZONHWOOGAOI-VEEOACQBSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224096323 571609383 /nfs/dbraw/zinc/60/93/83/571609383.db2.gz IUDKDFURAUDPIW-JSOSNVBQSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224096266 571609385 /nfs/dbraw/zinc/60/93/85/571609385.db2.gz IUDKDFURAUDPIW-FIRIVFDPSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224097034 571609459 /nfs/dbraw/zinc/60/94/59/571609459.db2.gz JHLWLQWAMTUXNE-IHLOFXLRSA-N 0 0 572.178 7.531 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098208 571609668 /nfs/dbraw/zinc/60/96/68/571609668.db2.gz ZMPDOWBWUOQIPO-IHLOFXLRSA-N 0 0 588.177 7.231 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098544 571609749 /nfs/dbraw/zinc/60/97/49/571609749.db2.gz LYUUUAQGMGRHLN-KYJUHHDHSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224099330 571609922 /nfs/dbraw/zinc/60/99/22/571609922.db2.gz UKDUOZPNRGRWFX-FQLXRVMXSA-N 0 0 538.721 6.273 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)cc1 ZINC000224113115 571611356 /nfs/dbraw/zinc/61/13/56/571611356.db2.gz XWAWCQQLXGTEPD-URLMMPGGSA-N 0 0 539.705 6.269 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224738075 571612615 /nfs/dbraw/zinc/61/26/15/571612615.db2.gz BGYSEHXQUKPRKC-KKLWWLSJSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 ZINC000224739383 571612647 /nfs/dbraw/zinc/61/26/47/571612647.db2.gz UVIYIWKRBWBHFI-AJQTZOPKSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4Cl)c3C)cc2)cc1 ZINC000224738926 571612679 /nfs/dbraw/zinc/61/26/79/571612679.db2.gz RLEKBGCGXQHMFO-ZWXJPIIXSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2)cc1 ZINC000224743119 571612991 /nfs/dbraw/zinc/61/29/91/571612991.db2.gz CRNGXHODOHDUJM-NOCHOARKSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)cc2)cc1 ZINC000224744031 571613018 /nfs/dbraw/zinc/61/30/18/571613018.db2.gz LFERUUZJCYGQOT-VLZNPVHKSA-N 0 0 588.777 8.392 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)cc2)cc1 ZINC000224744625 571613114 /nfs/dbraw/zinc/61/31/14/571613114.db2.gz UTBOHIJQKULTCE-CZNDPXEESA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)cc2)cc1 ZINC000224745177 571613180 /nfs/dbraw/zinc/61/31/80/571613180.db2.gz HOCDFNAGXFCJKN-JHOUSYSJSA-N 0 0 611.167 8.129 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)cc2)cc1 ZINC000224745427 571613186 /nfs/dbraw/zinc/61/31/86/571613186.db2.gz JQZGYYMUBQBWHK-CZNDPXEESA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ncccc4C)c3C)cc2)cc1 ZINC000224746053 571613290 /nfs/dbraw/zinc/61/32/90/571613290.db2.gz QBLDAQWWNRRKSU-FIRIVFDPSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(C)n3-c3ccc(OC)cc3)cc2)cc1 ZINC000224757714 571614385 /nfs/dbraw/zinc/61/43/85/571614385.db2.gz WRSVFFWZRLHOKB-AJQTZOPKSA-N 0 0 562.695 7.167 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224772235 571615630 /nfs/dbraw/zinc/61/56/30/571615630.db2.gz MKXHXBUULYVZSW-LQJZCPKCSA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224772746 571615719 /nfs/dbraw/zinc/61/57/19/571615719.db2.gz JOPRZIHYDSOMRD-JSOSNVBQSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224772998 571615773 /nfs/dbraw/zinc/61/57/73/571615773.db2.gz XPXFADHMPGNLBE-IOWSJCHKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224773462 571615801 /nfs/dbraw/zinc/61/58/01/571615801.db2.gz KHOAXUDOJYGHEE-CONSDPRKSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224774148 571615842 /nfs/dbraw/zinc/61/58/42/571615842.db2.gz SBEZXBCAIAWHPL-FIRIVFDPSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224777147 571616091 /nfs/dbraw/zinc/61/60/91/571616091.db2.gz YAVWYOFGYHUTMK-WEZIJMHWSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224777645 571616140 /nfs/dbraw/zinc/61/61/40/571616140.db2.gz AFEFOBVGQRFFNS-CWTKIQHKSA-N 0 0 619.816 8.651 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224777684 571616173 /nfs/dbraw/zinc/61/61/73/571616173.db2.gz AFEFOBVGQRFFNS-UZNNEEJFSA-N 0 0 619.816 8.651 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779081 571616280 /nfs/dbraw/zinc/61/62/80/571616280.db2.gz LUDBYWZPPIITPD-AJQTZOPKSA-N 0 0 652.758 7.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(OC)c1 ZINC000224795993 571617943 /nfs/dbraw/zinc/61/79/43/571617943.db2.gz WERGOUQDOIWYNG-SVBPBHIXSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c(OC)c1 ZINC000224797226 571618063 /nfs/dbraw/zinc/61/80/63/571618063.db2.gz DKHPJQIYHWFPEP-SVBPBHIXSA-N 0 0 535.113 6.561 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c(OC)c1 ZINC000224805948 571618827 /nfs/dbraw/zinc/61/88/27/571618827.db2.gz HUDGZOORLMMLJH-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1 ZINC000224805834 571618855 /nfs/dbraw/zinc/61/88/55/571618855.db2.gz CECWOMNJTISPTC-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 ZINC000224807178 571618921 /nfs/dbraw/zinc/61/89/21/571618921.db2.gz RGHPVTWMIGBKMM-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c(OC)c1 ZINC000224806975 571618963 /nfs/dbraw/zinc/61/89/63/571618963.db2.gz CZYYFFUSUYAQOT-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 ZINC000224807330 571618968 /nfs/dbraw/zinc/61/89/68/571618968.db2.gz VZQQCYYIVYWKKN-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c(OC)c1 ZINC000224807623 571618991 /nfs/dbraw/zinc/61/89/91/571618991.db2.gz HAEYPBAVUPOVTQ-RRPNLBNLSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c(OC)c1 ZINC000224807536 571619005 /nfs/dbraw/zinc/61/90/05/571619005.db2.gz HAEYPBAVUPOVTQ-SVBPBHIXSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224808076 571619030 /nfs/dbraw/zinc/61/90/30/571619030.db2.gz PEYWHWGNLHPIRI-NSOVKSMOSA-N 0 0 514.651 5.692 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809123 571619129 /nfs/dbraw/zinc/61/91/29/571619129.db2.gz ACTOIVVPDDAXGN-FIRIVFDPSA-N 0 0 555.748 6.530 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809254 571619169 /nfs/dbraw/zinc/61/91/69/571619169.db2.gz ACTOIVVPDDAXGN-CONSDPRKSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c(OC)c1 ZINC000224810130 571619223 /nfs/dbraw/zinc/61/92/23/571619223.db2.gz DJJXURBHCDOPEQ-YTMVLYRLSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1 ZINC000224810378 571619299 /nfs/dbraw/zinc/61/92/99/571619299.db2.gz ZPKFTVFJZAZQMM-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(OC)c1 ZINC000224811574 571619369 /nfs/dbraw/zinc/61/93/69/571619369.db2.gz ASPILAFZBUKPQJ-IZLXSDGUSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(OC)c1 ZINC000224811662 571619392 /nfs/dbraw/zinc/61/93/92/571619392.db2.gz ASPILAFZBUKPQJ-VSGBNLITSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(OC)c1 ZINC000224811920 571619398 /nfs/dbraw/zinc/61/93/98/571619398.db2.gz QMQUIRYMLDICOI-NSOVKSMOSA-N 0 0 549.096 6.345 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(OC)c1 ZINC000224811533 571619407 /nfs/dbraw/zinc/61/94/07/571619407.db2.gz ASPILAFZBUKPQJ-NSOVKSMOSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224830151 571621228 /nfs/dbraw/zinc/62/12/28/571621228.db2.gz HWTDBVAVLUBLIE-SVBPBHIXSA-N 0 0 535.113 6.561 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224836666 571621905 /nfs/dbraw/zinc/62/19/05/571621905.db2.gz DLEUWROUXSWNSH-FIRIVFDPSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000224838912 571622140 /nfs/dbraw/zinc/62/21/40/571622140.db2.gz IPQMKWFXPHYWCQ-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1 ZINC000224839143 571622164 /nfs/dbraw/zinc/62/21/64/571622164.db2.gz JHYNIGLWNXSIGH-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000224839254 571622187 /nfs/dbraw/zinc/62/21/87/571622187.db2.gz VFNRXQXZJGXPKJ-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224840925 571622353 /nfs/dbraw/zinc/62/23/53/571622353.db2.gz NPBKHPDLSZDXHL-NSOVKSMOSA-N 0 0 514.651 5.692 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841920 571622395 /nfs/dbraw/zinc/62/23/95/571622395.db2.gz VPDFUQCYQMPWQV-CONSDPRKSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 ZINC000224842616 571622432 /nfs/dbraw/zinc/62/24/32/571622432.db2.gz RQNFSEGSDJDFJG-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224843823 571622557 /nfs/dbraw/zinc/62/25/57/571622557.db2.gz WZWFARMOVHYAHD-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1 ZINC000224843467 571622572 /nfs/dbraw/zinc/62/25/72/571622572.db2.gz CCDXJXHZVUNLOL-PQHLKRTFSA-N 0 0 526.706 6.609 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224856610 571623686 /nfs/dbraw/zinc/62/36/86/571623686.db2.gz IJXIXYUDPFVFHB-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224856891 571623747 /nfs/dbraw/zinc/62/37/47/571623747.db2.gz ALXFVUFEXKXBBK-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224856851 571623754 /nfs/dbraw/zinc/62/37/54/571623754.db2.gz ALXFVUFEXKXBBK-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860414 571624074 /nfs/dbraw/zinc/62/40/74/571624074.db2.gz XWDLURNTTHMAJU-LOSJGSFVSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871910 571625326 /nfs/dbraw/zinc/62/53/26/571625326.db2.gz YUBPWRKAUGHNHH-KAYWLYCHSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224872044 571625358 /nfs/dbraw/zinc/62/53/58/571625358.db2.gz YUBPWRKAUGHNHH-SVBPBHIXSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)ccc1C ZINC000224872926 571625509 /nfs/dbraw/zinc/62/55/09/571625509.db2.gz HQMPSNFAXFTYDT-SVBPBHIXSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cc(C)cc1C ZINC000224873552 571625551 /nfs/dbraw/zinc/62/55/51/571625551.db2.gz QPYVFNCHJDYRGA-IAPPQJPRSA-N 0 0 517.098 6.951 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873333 571625563 /nfs/dbraw/zinc/62/55/63/571625563.db2.gz DOKLPSPSMXGEGQ-CLJLJLNGSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224890139 571627197 /nfs/dbraw/zinc/62/71/97/571627197.db2.gz GNIPFENVLQSXHY-LOYHVIPDSA-N 0 0 541.696 5.950 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224896891 571627821 /nfs/dbraw/zinc/62/78/21/571627821.db2.gz LDWVDWUGLSFGIB-XZWHSSHBSA-N 0 0 506.650 7.267 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224901957 571628352 /nfs/dbraw/zinc/62/83/52/571628352.db2.gz NORHVXLXPMHMTN-FTJBHMTQSA-N 0 0 525.480 7.421 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224903289 571628372 /nfs/dbraw/zinc/62/83/72/571628372.db2.gz CHEDSQSUHXTGRB-KAYWLYCHSA-N 0 0 531.613 6.031 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224903728 571628422 /nfs/dbraw/zinc/62/84/22/571628422.db2.gz JPKYPTKETPYHQT-SVBPBHIXSA-N 0 0 505.062 7.076 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904009 571628507 /nfs/dbraw/zinc/62/85/07/571628507.db2.gz SUUNDRRGZUDPDF-SXOMAYOGSA-N 0 0 521.061 6.776 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1 ZINC000224927320 571630786 /nfs/dbraw/zinc/63/07/86/571630786.db2.gz CZOILTCEQVADSX-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C ZINC000224927428 571630816 /nfs/dbraw/zinc/63/08/16/571630816.db2.gz PJEDZHJUEFYQPX-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224927751 571630838 /nfs/dbraw/zinc/63/08/38/571630838.db2.gz BXGZSAIBWQCORP-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1F ZINC000224928485 571630973 /nfs/dbraw/zinc/63/09/73/571630973.db2.gz AXYMRJJTUPIQPB-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1O ZINC000224930008 571631055 /nfs/dbraw/zinc/63/10/55/571631055.db2.gz CZXVYWHIRKFTJA-CLJLJLNGSA-N 0 0 533.495 6.443 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931531 571631193 /nfs/dbraw/zinc/63/11/93/571631193.db2.gz KQEOVKLVFKNOSQ-KYJUHHDHSA-N 0 0 588.619 7.583 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224931827 571631266 /nfs/dbraw/zinc/63/12/66/571631266.db2.gz PKTTVXFCMASPPY-IZZNHLLZSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224932884 571631352 /nfs/dbraw/zinc/63/13/52/571631352.db2.gz WPZUTICDQYHOGC-YTMVLYRLSA-N 0 0 559.577 7.662 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224933557 571631404 /nfs/dbraw/zinc/63/14/04/571631404.db2.gz OCNVAZDLSNJQAY-RRPNLBNLSA-N 0 0 565.968 7.699 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224933476 571631419 /nfs/dbraw/zinc/63/14/19/571631419.db2.gz OCNVAZDLSNJQAY-KAYWLYCHSA-N 0 0 565.968 7.699 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934089 571631470 /nfs/dbraw/zinc/63/14/70/571631470.db2.gz ODBJAKYNSIULAC-RRPNLBNLSA-N 0 0 592.519 6.654 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224945335 571632620 /nfs/dbraw/zinc/63/26/20/571632620.db2.gz DBLFMQLCTGMZGK-SXOMAYOGSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224957307 571633710 /nfs/dbraw/zinc/63/37/10/571633710.db2.gz SOUURBWPZAPUPE-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224957918 571633732 /nfs/dbraw/zinc/63/37/32/571633732.db2.gz MOHJIAIJMIONCZ-UIOOFZCWSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224961285 571634148 /nfs/dbraw/zinc/63/41/48/571634148.db2.gz PGALNFYQKPWILY-CLJLJLNGSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224961727 571634208 /nfs/dbraw/zinc/63/42/08/571634208.db2.gz PQSJLEMHAHSVJF-IAPPQJPRSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224962087 571634248 /nfs/dbraw/zinc/63/42/48/571634248.db2.gz ZNGUPAXNSTWLSD-SXOMAYOGSA-N 0 0 533.053 6.057 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224961904 571634272 /nfs/dbraw/zinc/63/42/72/571634272.db2.gz XRIVDXKQUDNKGC-IZLXSDGUSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224962341 571634332 /nfs/dbraw/zinc/63/43/32/571634332.db2.gz YGHTZOFRKVEQJG-XRKRLSELSA-N 0 0 531.125 7.254 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000224974106 571635404 /nfs/dbraw/zinc/63/54/04/571635404.db2.gz QKZKTOGNNHFAOF-CLJLJLNGSA-N 0 0 505.043 6.028 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224974728 571635432 /nfs/dbraw/zinc/63/54/32/571635432.db2.gz BYWMWKRKGBOTGX-SVBPBHIXSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224978539 571635690 /nfs/dbraw/zinc/63/56/90/571635690.db2.gz MUONJRIZFXPULF-OIDHKYIRSA-N 0 0 641.285 7.393 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224980544 571635847 /nfs/dbraw/zinc/63/58/47/571635847.db2.gz NKZGXQBXPPSPLA-IHLOFXLRSA-N 0 0 557.167 6.951 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224982272 571636035 /nfs/dbraw/zinc/63/60/35/571636035.db2.gz VHEIXHCKKUIJFQ-JSOSNVBQSA-N 0 0 606.623 7.915 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224985015 571636327 /nfs/dbraw/zinc/63/63/27/571636327.db2.gz QGHXTHZUQJKESF-GPOMZPHUSA-N 0 0 606.239 8.709 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224985674 571636456 /nfs/dbraw/zinc/63/64/56/571636456.db2.gz AJZILVYFDJFRNG-ZWXJPIIXSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224985753 571636473 /nfs/dbraw/zinc/63/64/73/571636473.db2.gz AJZILVYFDJFRNG-ACHIHNKUSA-N 0 0 570.206 7.864 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224986338 571636510 /nfs/dbraw/zinc/63/65/10/571636510.db2.gz WWYHWQFKXBXHSQ-SAIUNTKASA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224987198 571636619 /nfs/dbraw/zinc/63/66/19/571636619.db2.gz WIOAQOKSAHZVDS-JSOSNVBQSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224987922 571636651 /nfs/dbraw/zinc/63/66/51/571636651.db2.gz UQJKHYYWPLQZQU-IOWSJCHKSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224988368 571636703 /nfs/dbraw/zinc/63/67/03/571636703.db2.gz SMFAYGZEDIBPNR-FIRIVFDPSA-N 0 0 572.178 7.262 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224988782 571636770 /nfs/dbraw/zinc/63/67/70/571636770.db2.gz KLNSYHYBNLOJDU-AJQTZOPKSA-N 0 0 586.205 7.565 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224989459 571636873 /nfs/dbraw/zinc/63/68/73/571636873.db2.gz HXFXKZXPTRSTKS-JHOUSYSJSA-N 0 0 599.248 7.622 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224990546 571636976 /nfs/dbraw/zinc/63/69/76/571636976.db2.gz UCSKFQKGWGWTED-CZNDPXEESA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224990659 571637040 /nfs/dbraw/zinc/63/70/40/571637040.db2.gz UCSKFQKGWGWTED-LQJZCPKCSA-N 0 0 584.233 8.173 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000225002972 571638238 /nfs/dbraw/zinc/63/82/38/571638238.db2.gz DNRSKVBBMCAHBY-ROJLCIKYSA-N 0 0 614.215 7.343 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000225003015 571638243 /nfs/dbraw/zinc/63/82/43/571638243.db2.gz DNRSKVBBMCAHBY-ZWXJPIIXSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225035257 571640902 /nfs/dbraw/zinc/64/09/02/571640902.db2.gz XREPKZKFXUQCEW-NSOVKSMOSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225039140 571641166 /nfs/dbraw/zinc/64/11/66/571641166.db2.gz GWJXRVQSNYSAJK-IZLXSDGUSA-N 0 0 532.113 6.323 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225044346 571641567 /nfs/dbraw/zinc/64/15/67/571641567.db2.gz JMETYRPDDSLFQO-WUFINQPMSA-N 0 0 516.114 6.617 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225045441 571641711 /nfs/dbraw/zinc/64/17/11/571641711.db2.gz WEFYPQCLXJYNTR-FQLXRVMXSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225047577 571641964 /nfs/dbraw/zinc/64/19/64/571641964.db2.gz PUYQDFXIXYNBLN-XZWHSSHBSA-N 0 0 509.723 6.581 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048317 571642043 /nfs/dbraw/zinc/64/20/43/571642043.db2.gz HVQJBGJOURUYPB-VMPREFPWSA-N 0 0 556.692 5.881 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048900 571642079 /nfs/dbraw/zinc/64/20/79/571642079.db2.gz YRJPXTOLPCPSBA-WDYNHAJCSA-N 0 0 546.140 6.626 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049246 571642154 /nfs/dbraw/zinc/64/21/54/571642154.db2.gz DNDBFGHMUHTSLT-VEEOACQBSA-N 0 0 523.750 6.835 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225060443 571643075 /nfs/dbraw/zinc/64/30/75/571643075.db2.gz PENBHNXXBDWBCO-FQLXRVMXSA-N 0 0 539.705 5.750 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000225064954 571643557 /nfs/dbraw/zinc/64/35/57/571643557.db2.gz PBZZIMBIDDCAAL-CZNDPXEESA-N 0 0 624.210 7.561 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225074553 571644402 /nfs/dbraw/zinc/64/44/02/571644402.db2.gz GDPPZTDYPJDXAY-HEVIKAOCSA-N 0 0 603.748 6.692 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225076067 571644612 /nfs/dbraw/zinc/64/46/12/571644612.db2.gz GVZDWLGRIFKGCT-GPOMZPHUSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225075923 571644651 /nfs/dbraw/zinc/64/46/51/571644651.db2.gz QAIBLTRZMBTJRD-JHOUSYSJSA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225077081 571644717 /nfs/dbraw/zinc/64/47/17/571644717.db2.gz MCOICUNRFVTIKS-NOCHOARKSA-N 0 0 622.194 7.646 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077293 571644772 /nfs/dbraw/zinc/64/47/72/571644772.db2.gz UFCRXKMSTZVNCQ-SZAHLOSFSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225092891 571646549 /nfs/dbraw/zinc/64/65/49/571646549.db2.gz XMAHUKHAFTXWHV-VMPREFPWSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NC(=O)C(C)(C)C ZINC000225099764 571647162 /nfs/dbraw/zinc/64/71/62/571647162.db2.gz XIPRMILTCYGVAM-JHOUSYSJSA-N 0 0 603.792 7.813 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100763 571647242 /nfs/dbraw/zinc/64/72/42/571647242.db2.gz IYBJDQXUAMLVKJ-LOYHVIPDSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100729 571647251 /nfs/dbraw/zinc/64/72/51/571647251.db2.gz IYBJDQXUAMLVKJ-XZWHSSHBSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101913 571647338 /nfs/dbraw/zinc/64/73/38/571647338.db2.gz PFNWGQRFLJZGOF-WDYNHAJCSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102638 571647428 /nfs/dbraw/zinc/64/74/28/571647428.db2.gz RULVGFXSDIRLKL-FQLXRVMXSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104226 571647594 /nfs/dbraw/zinc/64/75/94/571647594.db2.gz RJYROHMPFXIZQC-CONSDPRKSA-N 0 0 596.801 6.725 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104300 571647618 /nfs/dbraw/zinc/64/76/18/571647618.db2.gz RJYROHMPFXIZQC-IOWSJCHKSA-N 0 0 596.801 6.725 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104339 571647629 /nfs/dbraw/zinc/64/76/29/571647629.db2.gz RJYROHMPFXIZQC-FIRIVFDPSA-N 0 0 596.801 6.725 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105375 571647725 /nfs/dbraw/zinc/64/77/25/571647725.db2.gz ODMYWESHPJYJLG-BVRKHOPBSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105711 571647760 /nfs/dbraw/zinc/64/77/60/571647760.db2.gz UPBJXWLYBDDWBG-LOYHVIPDSA-N 0 0 597.741 6.388 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105599 571647783 /nfs/dbraw/zinc/64/77/83/571647783.db2.gz UPBJXWLYBDDWBG-KYJUHHDHSA-N 0 0 597.741 6.388 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106187 571647818 /nfs/dbraw/zinc/64/78/18/571647818.db2.gz MYRVGJQTZHYEBW-XZWHSSHBSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106152 571647827 /nfs/dbraw/zinc/64/78/27/571647827.db2.gz MYRVGJQTZHYEBW-IHLOFXLRSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106464 571647847 /nfs/dbraw/zinc/64/78/47/571647847.db2.gz NOOIZTYQUTYWCW-KYJUHHDHSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107090 571647938 /nfs/dbraw/zinc/64/79/38/571647938.db2.gz WHSQUHBFGKJNTR-KYJUHHDHSA-N 0 0 628.755 6.576 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107223 571647989 /nfs/dbraw/zinc/64/79/89/571647989.db2.gz FVMRCGANMYORMG-XDFJSJKPSA-N 0 0 595.813 7.530 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)cc1 ZINC000225118001 571649204 /nfs/dbraw/zinc/64/92/04/571649204.db2.gz BQEAIIGYAGMWMH-WDYNHAJCSA-N 0 0 569.731 6.360 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000225129124 571650083 /nfs/dbraw/zinc/65/00/83/571650083.db2.gz VOYLTHJBNKWSFM-NSOVKSMOSA-N 0 0 544.124 6.914 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000225129393 571650159 /nfs/dbraw/zinc/65/01/59/571650159.db2.gz UBDYPWJCCVDRSC-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225129968 571650164 /nfs/dbraw/zinc/65/01/64/571650164.db2.gz OKIBEJUPIRDYEQ-KYJUHHDHSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000225130298 571650200 /nfs/dbraw/zinc/65/02/00/571650200.db2.gz LKNLGMWZVAFALB-NSOVKSMOSA-N 0 0 562.114 7.053 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225130134 571650202 /nfs/dbraw/zinc/65/02/02/571650202.db2.gz CAWVGAPTMWXHSX-KYJUHHDHSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000225130578 571650260 /nfs/dbraw/zinc/65/02/60/571650260.db2.gz FVBASGIZXUEGDL-WUFINQPMSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225130907 571650265 /nfs/dbraw/zinc/65/02/65/571650265.db2.gz ICTRRICVUPSXDZ-WUFINQPMSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000225131860 571650332 /nfs/dbraw/zinc/65/03/32/571650332.db2.gz SLDTYPFLEXHJPP-WUFINQPMSA-N 0 0 560.123 6.620 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132198 571650336 /nfs/dbraw/zinc/65/03/36/571650336.db2.gz JGUFNBWWFWUTDO-URLMMPGGSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225134183 571650500 /nfs/dbraw/zinc/65/05/00/571650500.db2.gz MDRHCQPEVUTJAT-VMPREFPWSA-N 0 0 588.133 6.643 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225134545 571650564 /nfs/dbraw/zinc/65/05/64/571650564.db2.gz LLTMIJCDBLEZNX-FQLXRVMXSA-N 0 0 619.147 6.831 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000225135724 571650700 /nfs/dbraw/zinc/65/07/00/571650700.db2.gz JRYAWMBXSZMXOY-WUFINQPMSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000225135757 571650724 /nfs/dbraw/zinc/65/07/24/571650724.db2.gz JRYAWMBXSZMXOY-NSOVKSMOSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)n1-c1ccccc1 ZINC000225145453 571651868 /nfs/dbraw/zinc/65/18/68/571651868.db2.gz MFDOWIZAEHBAAT-RRPNLBNLSA-N 0 0 530.097 6.606 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225149724 571652376 /nfs/dbraw/zinc/65/23/76/571652376.db2.gz WROYKPBIINYBEH-LQJZCPKCSA-N 0 0 594.785 6.160 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1C ZINC000225157712 571653103 /nfs/dbraw/zinc/65/31/03/571653103.db2.gz AROAOHVBWSRFAF-FIRIVFDPSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1C ZINC000225157533 571653106 /nfs/dbraw/zinc/65/31/06/571653106.db2.gz NOFLOFHJPRPZDC-FIRIVFDPSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225158606 571653166 /nfs/dbraw/zinc/65/31/66/571653166.db2.gz RMHWUJVOMGOLNF-FQLXRVMXSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225158834 571653186 /nfs/dbraw/zinc/65/31/86/571653186.db2.gz OEFZQZQNOBXPPC-VMPREFPWSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225162664 571653488 /nfs/dbraw/zinc/65/34/88/571653488.db2.gz HUEUYYCWSGIISN-IHLOFXLRSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225163986 571653666 /nfs/dbraw/zinc/65/36/66/571653666.db2.gz XMFNSMLDTRUEHU-VMPREFPWSA-N 0 0 524.694 6.027 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000225169652 571654128 /nfs/dbraw/zinc/65/41/28/571654128.db2.gz HYVOICJUOMXDEN-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225174184 571654565 /nfs/dbraw/zinc/65/45/65/571654565.db2.gz JLZFKRWLFCWXCD-KYJUHHDHSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1OC ZINC000225178034 571654978 /nfs/dbraw/zinc/65/49/78/571654978.db2.gz GXZRCUOJUGNWRT-CZNDPXEESA-N 0 0 610.784 5.860 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1OC ZINC000225185767 571655805 /nfs/dbraw/zinc/65/58/05/571655805.db2.gz UEWIGVJJCFOOJQ-JSOSNVBQSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC ZINC000225186429 571655850 /nfs/dbraw/zinc/65/58/50/571655850.db2.gz WXLNMMCUZPQTMD-URLMMPGGSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000225186855 571655888 /nfs/dbraw/zinc/65/58/88/571655888.db2.gz VWRSTNYKQXFHEN-VMPREFPWSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1OC ZINC000225187617 571655985 /nfs/dbraw/zinc/65/59/85/571655985.db2.gz NBMLQHXNCJSOLO-URLMMPGGSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1OC ZINC000225187575 571655997 /nfs/dbraw/zinc/65/59/97/571655997.db2.gz NBMLQHXNCJSOLO-WDYNHAJCSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1OC ZINC000225188969 571656161 /nfs/dbraw/zinc/65/61/61/571656161.db2.gz GXYVXXAOLQZFDE-JHOUSYSJSA-N 0 0 596.801 6.870 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC ZINC000225190475 571656273 /nfs/dbraw/zinc/65/62/73/571656273.db2.gz DPECNCLGOBCBLN-KYJUHHDHSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1OC ZINC000225191614 571656400 /nfs/dbraw/zinc/65/64/00/571656400.db2.gz BXEQOYHMVWNJNU-XZWHSSHBSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1OC ZINC000225192055 571656429 /nfs/dbraw/zinc/65/64/29/571656429.db2.gz LGMBOVQXAROHEX-NSOVKSMOSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1OC ZINC000225191882 571656440 /nfs/dbraw/zinc/65/64/40/571656440.db2.gz FXRHVEXAOIWJFQ-VMPREFPWSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1OC ZINC000225202742 571657528 /nfs/dbraw/zinc/65/75/28/571657528.db2.gz LXSZXNNAVWYQRN-XZWHSSHBSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000225213801 571658571 /nfs/dbraw/zinc/65/85/71/571658571.db2.gz DMEQGDQULAIKHS-URLMMPGGSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000225214826 571658657 /nfs/dbraw/zinc/65/86/57/571658657.db2.gz MZUJMCJFYVPVBH-WUFINQPMSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000225215882 571658782 /nfs/dbraw/zinc/65/87/82/571658782.db2.gz ARHZMMFXLDLPSI-VSGBNLITSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000225217198 571658919 /nfs/dbraw/zinc/65/89/19/571658919.db2.gz VFXYPGZFLZPNGL-IHLOFXLRSA-N 0 0 554.720 5.317 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000225217637 571658982 /nfs/dbraw/zinc/65/89/82/571658982.db2.gz QSYSPTQFCQABSA-VSGBNLITSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000225217763 571658992 /nfs/dbraw/zinc/65/89/92/571658992.db2.gz CSCUHSXATKUUQK-WUFINQPMSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000225218205 571659033 /nfs/dbraw/zinc/65/90/33/571659033.db2.gz GWMPTLZDUVONHI-JDXGNMNLSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000225218421 571659089 /nfs/dbraw/zinc/65/90/89/571659089.db2.gz RXLMDHMIEZBDAW-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000225218765 571659139 /nfs/dbraw/zinc/65/91/39/571659139.db2.gz FGTNQAHKECITJS-VEEOACQBSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000225219352 571659153 /nfs/dbraw/zinc/65/91/53/571659153.db2.gz SJWWGHUZRPQEKF-FQLXRVMXSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000225219140 571659163 /nfs/dbraw/zinc/65/91/63/571659163.db2.gz GXEBWBKQSBUYCI-URLMMPGGSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000225219804 571659279 /nfs/dbraw/zinc/65/92/79/571659279.db2.gz UHARTUKQUZENQA-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000225220006 571659281 /nfs/dbraw/zinc/65/92/81/571659281.db2.gz RYFSLJFNLSKUHX-FQLXRVMXSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000225235209 571660888 /nfs/dbraw/zinc/66/08/88/571660888.db2.gz QGYPTMZYIKFCOK-IZLXSDGUSA-N 0 0 596.584 6.782 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000225241514 571661646 /nfs/dbraw/zinc/66/16/46/571661646.db2.gz FXQUNLBEDAZDQN-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225242013 571661685 /nfs/dbraw/zinc/66/16/85/571661685.db2.gz CXOGEDBYJCRSAJ-KYJUHHDHSA-N 0 0 574.150 6.467 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000225242235 571661740 /nfs/dbraw/zinc/66/17/40/571661740.db2.gz VUZQHGRXWISXHK-NSOVKSMOSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000225242756 571661805 /nfs/dbraw/zinc/66/18/05/571661805.db2.gz HKGTYCOJJYBNDH-IZLXSDGUSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000225245676 571662082 /nfs/dbraw/zinc/66/20/82/571662082.db2.gz PVTRAGFILILILM-XZWHSSHBSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000225246680 571662190 /nfs/dbraw/zinc/66/21/90/571662190.db2.gz GYDSQYPJZHCWDU-FQLXRVMXSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000225247240 571662287 /nfs/dbraw/zinc/66/22/87/571662287.db2.gz KCKKAQUEHPXJQI-VMPREFPWSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000225248129 571662312 /nfs/dbraw/zinc/66/23/12/571662312.db2.gz NSBGADBACLUCMF-VSGBNLITSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000225247783 571662339 /nfs/dbraw/zinc/66/23/39/571662339.db2.gz NRDANOOPJLBGMV-WUFINQPMSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000225257469 571663375 /nfs/dbraw/zinc/66/33/75/571663375.db2.gz IVOROEWYECIKKX-VSGBNLITSA-N 0 0 562.095 5.605 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000225257724 571663407 /nfs/dbraw/zinc/66/34/07/571663407.db2.gz BJYUOIYGFKTVRF-WDYNHAJCSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225261346 571663793 /nfs/dbraw/zinc/66/37/93/571663793.db2.gz PIRSMIMXTQWTCL-URLMMPGGSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225267588 571664579 /nfs/dbraw/zinc/66/45/79/571664579.db2.gz WUGIWEMJXOBORE-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225267772 571664608 /nfs/dbraw/zinc/66/46/08/571664608.db2.gz VHALIHZXWBEALM-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225268086 571664646 /nfs/dbraw/zinc/66/46/46/571664646.db2.gz WPUBMQHYFNMYAB-WDYNHAJCSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225269172 571664774 /nfs/dbraw/zinc/66/47/74/571664774.db2.gz BAKMJBVEWPASFH-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225270215 571664912 /nfs/dbraw/zinc/66/49/12/571664912.db2.gz WBIHFNHDXSEWPN-KYJUHHDHSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225271050 571665026 /nfs/dbraw/zinc/66/50/26/571665026.db2.gz ASQVWHCFFJVKSG-IOWSJCHKSA-N 0 0 568.747 5.626 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225271313 571665087 /nfs/dbraw/zinc/66/50/87/571665087.db2.gz PNNVAAFIYKIGQT-VMPREFPWSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225271740 571665127 /nfs/dbraw/zinc/66/51/27/571665127.db2.gz YNDRDJFYOIJDQQ-IOWSJCHKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225273159 571665283 /nfs/dbraw/zinc/66/52/83/571665283.db2.gz JHZHXKIWYCDEOR-KYJUHHDHSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225274382 571665398 /nfs/dbraw/zinc/66/53/98/571665398.db2.gz AJQSQWRDOUNVIW-FQLXRVMXSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225274183 571665402 /nfs/dbraw/zinc/66/54/02/571665402.db2.gz LEWDHEMWLBDLCZ-WUFINQPMSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225284044 571666341 /nfs/dbraw/zinc/66/63/41/571666341.db2.gz JJIKZFJZYZSVSI-IHLOFXLRSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225284164 571666366 /nfs/dbraw/zinc/66/63/66/571666366.db2.gz ABYHUVHJVZDBMG-KYJUHHDHSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225284393 571666371 /nfs/dbraw/zinc/66/63/71/571666371.db2.gz AJWWAGFWLZSHMA-XZWHSSHBSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1OC ZINC000225288957 571666960 /nfs/dbraw/zinc/66/69/60/571666960.db2.gz UWSGBNABOFZEBO-WDYNHAJCSA-N 0 0 557.720 5.484 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1OC ZINC000225295863 571667944 /nfs/dbraw/zinc/66/79/44/571667944.db2.gz GVZKXOCMPKSLAU-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1OC ZINC000225296029 571667961 /nfs/dbraw/zinc/66/79/61/571667961.db2.gz AAQUULIWWSUTDJ-WDYNHAJCSA-N 0 0 620.573 6.022 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298044 571668310 /nfs/dbraw/zinc/66/83/10/571668310.db2.gz SHUDQFLXSDBCLS-JHOUSYSJSA-N 0 0 612.800 6.106 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NC(C)=O ZINC000225318309 571672327 /nfs/dbraw/zinc/67/23/27/571672327.db2.gz QPNHYVJDFKRZPS-URLMMPGGSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225320133 571674811 /nfs/dbraw/zinc/67/48/11/571674811.db2.gz AVWFZODOWWWNFG-VMPREFPWSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NC(C)=O ZINC000225320712 571675840 /nfs/dbraw/zinc/67/58/40/571675840.db2.gz GMEJYHYWSMOULB-KYJUHHDHSA-N 0 0 554.720 5.699 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NC(C)=O ZINC000225320976 571676237 /nfs/dbraw/zinc/67/62/37/571676237.db2.gz VYKYJIYOADOQDJ-NSOVKSMOSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NC(C)=O ZINC000225321382 571676778 /nfs/dbraw/zinc/67/67/78/571676778.db2.gz LPSZOAIFRDUMFL-LOYHVIPDSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NC(C)=O ZINC000225321636 571677270 /nfs/dbraw/zinc/67/72/70/571677270.db2.gz WCBSLCIJDCOLFS-DGPALRBDSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NC(C)=O ZINC000225322328 571677974 /nfs/dbraw/zinc/67/79/74/571677974.db2.gz WVCYBQJTBUKGAT-FQLXRVMXSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NC(C)=O ZINC000225323180 571679230 /nfs/dbraw/zinc/67/92/30/571679230.db2.gz ZJQPFACAOQSMOU-WDYNHAJCSA-N 0 0 586.674 5.550 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225332702 571691051 /nfs/dbraw/zinc/69/10/51/571691051.db2.gz OQKUWKIGCMPQSB-WDYNHAJCSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225342236 571701839 /nfs/dbraw/zinc/70/18/39/571701839.db2.gz IVOFIGTXHDLSKI-ACHIHNKUSA-N 0 0 532.713 7.607 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225343619 571702833 /nfs/dbraw/zinc/70/28/33/571702833.db2.gz HYDCHMUHWZICRB-IHLOFXLRSA-N 0 0 510.707 7.016 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O ZINC000260795850 571703938 /nfs/dbraw/zinc/70/39/38/571703938.db2.gz MBQMSXUSBUFYSO-FPOVZHCZSA-N 0 0 506.112 5.308 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225344491 571704144 /nfs/dbraw/zinc/70/41/44/571704144.db2.gz ORUGTFYBAYOQFI-WUFINQPMSA-N 0 0 517.098 7.107 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225345567 571705189 /nfs/dbraw/zinc/70/51/89/571705189.db2.gz MZLVPNBHFWFNAD-URLMMPGGSA-N 0 0 512.679 6.462 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225345534 571705282 /nfs/dbraw/zinc/70/52/82/571705282.db2.gz MZLVPNBHFWFNAD-WDYNHAJCSA-N 0 0 512.679 6.462 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346292 571706278 /nfs/dbraw/zinc/70/62/78/571706278.db2.gz HVPQXZLHDVPVLY-ROJLCIKYSA-N 0 0 553.776 7.300 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225346865 571706914 /nfs/dbraw/zinc/70/69/14/571706914.db2.gz MLHWBSKBLUCFGO-XZWHSSHBSA-N 0 0 510.707 7.070 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225347921 571708487 /nfs/dbraw/zinc/70/84/87/571708487.db2.gz LFJDHRYBBYZWOX-FQLXRVMXSA-N 0 0 557.676 6.370 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260802878 571711601 /nfs/dbraw/zinc/71/16/01/571711601.db2.gz OFKAJHYZRZKAMI-VQTJNVASSA-N 0 0 556.153 6.041 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225359257 571720629 /nfs/dbraw/zinc/72/06/29/571720629.db2.gz IVWCYGVOXUDDBG-WDYNHAJCSA-N 0 0 540.689 6.240 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225359116 571720700 /nfs/dbraw/zinc/72/07/00/571720700.db2.gz AAOFWNZTTLLYBG-WDYNHAJCSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225362443 571724667 /nfs/dbraw/zinc/72/46/67/571724667.db2.gz XOMZGMAXPFWBQI-NOCHOARKSA-N 0 0 593.797 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225362476 571724758 /nfs/dbraw/zinc/72/47/58/571724758.db2.gz XOMZGMAXPFWBQI-SZAHLOSFSA-N 0 0 593.797 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccn1 ZINC000225364234 571726925 /nfs/dbraw/zinc/72/69/25/571726925.db2.gz MOCUVWKDVGYAMX-URLMMPGGSA-N 0 0 509.679 6.383 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225368105 571732296 /nfs/dbraw/zinc/73/22/96/571732296.db2.gz SFWQEUAYMCZYNA-NOCHOARKSA-N 0 0 558.751 8.141 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225368804 571733515 /nfs/dbraw/zinc/73/35/15/571733515.db2.gz PWCCETGLLQCHMV-JSOSNVBQSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225369187 571734120 /nfs/dbraw/zinc/73/41/20/571734120.db2.gz CVPGOMGQJWCHMA-KYJUHHDHSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1F ZINC000225369545 571734644 /nfs/dbraw/zinc/73/46/44/571734644.db2.gz MMKWJOOZCKLMLM-LOYHVIPDSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225370772 571735492 /nfs/dbraw/zinc/73/54/92/571735492.db2.gz BCODATOHMPXQJR-LOYHVIPDSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225372065 571737525 /nfs/dbraw/zinc/73/75/25/571737525.db2.gz HOVZVNPGIPVKTA-ACHIHNKUSA-N 0 0 551.760 7.054 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372208 571737805 /nfs/dbraw/zinc/73/78/05/571737805.db2.gz IQFWKVICFRMLHW-HEVIKAOCSA-N 0 0 579.814 7.834 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225373770 571739643 /nfs/dbraw/zinc/73/96/43/571739643.db2.gz QNUSQTCIVNNSIX-JSOSNVBQSA-N 0 0 583.714 6.904 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374329 571740634 /nfs/dbraw/zinc/74/06/34/571740634.db2.gz VVIGOZDQWCGSDT-FIRIVFDPSA-N 0 0 583.714 6.904 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260836901 571742322 /nfs/dbraw/zinc/74/23/22/571742322.db2.gz BEEIRSVBFVUAFT-LSDHHAIUSA-N 0 0 554.525 5.373 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260850991 571750846 /nfs/dbraw/zinc/75/08/46/571750846.db2.gz AMJMACNWUTTWHY-FQLXRVMXSA-N 0 0 576.166 6.437 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260851260 571751297 /nfs/dbraw/zinc/75/12/97/571751297.db2.gz KZMDHVKFMZJDBZ-IZLXSDGUSA-N 0 0 546.140 6.368 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260851110 571751367 /nfs/dbraw/zinc/75/13/67/571751367.db2.gz FLDPHSVHBQIPCH-IHLOFXLRSA-N 0 0 559.179 7.865 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260851143 571751393 /nfs/dbraw/zinc/75/13/93/571751393.db2.gz GZJCLAHPOHXAIL-LOYHVIPDSA-N 0 0 539.749 6.331 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260851264 571751426 /nfs/dbraw/zinc/75/14/26/571751426.db2.gz KZMDHVKFMZJDBZ-NSOVKSMOSA-N 0 0 546.140 6.368 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260851274 571752018 /nfs/dbraw/zinc/75/20/18/571752018.db2.gz MJZXGQWHHTXGFE-URLMMPGGSA-N 0 0 541.721 5.723 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225383431 571752054 /nfs/dbraw/zinc/75/20/54/571752054.db2.gz ZFCPOLUJNCCADT-IOWSJCHKSA-N 0 0 566.727 6.774 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852591 571752766 /nfs/dbraw/zinc/75/27/66/571752766.db2.gz TVDXTDUDOBYYNR-IZLXSDGUSA-N 0 0 560.167 7.138 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000260852506 571752934 /nfs/dbraw/zinc/75/29/34/571752934.db2.gz QPQKGLBOJAMLLO-KAYWLYCHSA-N 0 0 563.749 5.271 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000260852499 571752993 /nfs/dbraw/zinc/75/29/93/571752993.db2.gz QKLVXNISBIVIBA-KAYWLYCHSA-N 0 0 582.195 6.224 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852683 571753459 /nfs/dbraw/zinc/75/34/59/571753459.db2.gz WUVZPDLPPWSFFP-AJQTZOPKSA-N 0 0 561.755 6.868 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260852654 571753533 /nfs/dbraw/zinc/75/35/33/571753533.db2.gz WBPGHEPUOPPMHQ-IHLOFXLRSA-N 0 0 524.734 7.212 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225392724 571761938 /nfs/dbraw/zinc/76/19/38/571761938.db2.gz KXGLVEXADJETNH-KYJUHHDHSA-N 0 0 567.740 6.191 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000225393147 571762327 /nfs/dbraw/zinc/76/23/27/571762327.db2.gz KASBELIZGYHIFR-CLJLJLNGSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000225393506 571762517 /nfs/dbraw/zinc/76/25/17/571762517.db2.gz PNHOBFXBGUHPJZ-KAYWLYCHSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225393895 571763000 /nfs/dbraw/zinc/76/30/00/571763000.db2.gz BHQPIBYGFTZNCW-CLJLJLNGSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F ZINC000225394447 571763772 /nfs/dbraw/zinc/76/37/72/571763772.db2.gz GDSUAZIOESBHMT-CLJLJLNGSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225395198 571764490 /nfs/dbraw/zinc/76/44/90/571764490.db2.gz PIMIPXFKDRANMT-FTJBHMTQSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br ZINC000225395601 571764667 /nfs/dbraw/zinc/76/46/67/571764667.db2.gz GQOMXXIOENUUCV-IZZNHLLZSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225395904 571765467 /nfs/dbraw/zinc/76/54/67/571765467.db2.gz XMBQQVILERWGIK-FTJBHMTQSA-N 0 0 596.576 5.800 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225396579 571766108 /nfs/dbraw/zinc/76/61/08/571766108.db2.gz XPKJJXGAFHLWJK-KAYWLYCHSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225397316 571767134 /nfs/dbraw/zinc/76/71/34/571767134.db2.gz IFAVRXOQIQAIKY-IZLXSDGUSA-N 0 0 560.749 5.104 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225397699 571767652 /nfs/dbraw/zinc/76/76/52/571767652.db2.gz SAOBEWDJBAUBLO-FTJBHMTQSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225397735 571767671 /nfs/dbraw/zinc/76/76/71/571767671.db2.gz SAOBEWDJBAUBLO-IZZNHLLZSA-N 0 0 586.570 6.345 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225424426 571790367 /nfs/dbraw/zinc/79/03/67/571790367.db2.gz YGVVXGKUSKWEER-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225424718 571791018 /nfs/dbraw/zinc/79/10/18/571791018.db2.gz FCSXPISCVVNYPB-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NS(C)(=O)=O ZINC000225425006 571791455 /nfs/dbraw/zinc/79/14/55/571791455.db2.gz OCNQWCVRGSREBY-KAYWLYCHSA-N 0 0 615.703 6.065 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425358 571791525 /nfs/dbraw/zinc/79/15/25/571791525.db2.gz JSGGVERVHYLYNU-VMPREFPWSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NS(C)(=O)=O ZINC000225426559 571792840 /nfs/dbraw/zinc/79/28/40/571792840.db2.gz JUQJBSIPFIGCAX-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426891 571793602 /nfs/dbraw/zinc/79/36/02/571793602.db2.gz CLRLLRYBCQIJCA-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225429142 571796449 /nfs/dbraw/zinc/79/64/49/571796449.db2.gz LWVSEYUMUUUXQH-RRPNLBNLSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225429333 571796977 /nfs/dbraw/zinc/79/69/77/571796977.db2.gz KNQSFOYQAJFIJL-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225429929 571797520 /nfs/dbraw/zinc/79/75/20/571797520.db2.gz KEOSFBZEJYAGDZ-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225446126 571817965 /nfs/dbraw/zinc/81/79/65/571817965.db2.gz BYCQSQJZDHGYKZ-FIRIVFDPSA-N 0 0 616.813 5.183 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225449575 571821973 /nfs/dbraw/zinc/82/19/73/571821973.db2.gz JOLUPOFYPGBCJK-SVBPBHIXSA-N 0 0 582.151 5.705 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225452979 571824342 /nfs/dbraw/zinc/82/43/42/571824342.db2.gz BWSGKCQIXLZAMR-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225452945 571824355 /nfs/dbraw/zinc/82/43/55/571824355.db2.gz BWSGKCQIXLZAMR-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225453068 571824417 /nfs/dbraw/zinc/82/44/17/571824417.db2.gz XYIJDCWUOCZHBN-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225453433 571825016 /nfs/dbraw/zinc/82/50/16/571825016.db2.gz COQGIBGNXRPPOH-WDYNHAJCSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225453915 571825667 /nfs/dbraw/zinc/82/56/67/571825667.db2.gz PVVNTUXDCVAEBQ-SXOMAYOGSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225456792 571828810 /nfs/dbraw/zinc/82/88/10/571828810.db2.gz FREZNBKSVNPATF-SXOMAYOGSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225457605 571829114 /nfs/dbraw/zinc/82/91/14/571829114.db2.gz SQGOPZWLNRFNSI-NSOVKSMOSA-N 0 0 575.716 5.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225457556 571829132 /nfs/dbraw/zinc/82/91/32/571829132.db2.gz SQGOPZWLNRFNSI-IZLXSDGUSA-N 0 0 575.716 5.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225457734 571829605 /nfs/dbraw/zinc/82/96/05/571829605.db2.gz QIIMDCNKZAUTBG-IZLXSDGUSA-N 0 0 580.179 6.308 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225457968 571829905 /nfs/dbraw/zinc/82/99/05/571829905.db2.gz HMUYKADKVZTTNZ-WUFINQPMSA-N 0 0 606.730 5.263 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225457997 571830003 /nfs/dbraw/zinc/83/00/03/571830003.db2.gz HMUYKADKVZTTNZ-NSOVKSMOSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225459177 571831086 /nfs/dbraw/zinc/83/10/86/571831086.db2.gz UZYTXXZGXLAKOZ-RRPNLBNLSA-N 0 0 546.722 5.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260909934 571836603 /nfs/dbraw/zinc/83/66/03/571836603.db2.gz AWRDEDZDAMUUIH-VSGBNLITSA-N 0 0 549.140 6.569 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225465638 571837266 /nfs/dbraw/zinc/83/72/66/571837266.db2.gz XDRGEJZSRREGLP-UHFFFAOYSA-N 0 0 534.509 5.660 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)n1-c1ccccc1 ZINC000225468058 571839381 /nfs/dbraw/zinc/83/93/81/571839381.db2.gz VPFIAJWWZDQVLR-IZZNHLLZSA-N 0 0 517.680 5.038 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225468557 571839757 /nfs/dbraw/zinc/83/97/57/571839757.db2.gz BGEBGGGMFHGOCC-WUFINQPMSA-N 0 0 589.743 5.133 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260912046 571841178 /nfs/dbraw/zinc/84/11/78/571841178.db2.gz DYUXFYCZGHTFKM-CONSDPRKSA-N 0 0 593.778 7.950 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000260912117 571841180 /nfs/dbraw/zinc/84/11/80/571841180.db2.gz FFUMQRRHTHILOR-DQMJNTIXSA-N 0 0 511.489 5.403 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NS(C)(=O)=O ZINC000225478405 571848526 /nfs/dbraw/zinc/84/85/26/571848526.db2.gz BFBSIXBWZUYCQO-CONSDPRKSA-N 0 0 597.766 6.200 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260916536 571848656 /nfs/dbraw/zinc/84/86/56/571848656.db2.gz JHGWCQNTYKRIGY-XTOBZSLNSA-N 0 0 598.260 8.364 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225479689 571849990 /nfs/dbraw/zinc/84/99/90/571849990.db2.gz PLNPUKWOWVJSRQ-URLMMPGGSA-N 0 0 575.760 5.609 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225479653 571850118 /nfs/dbraw/zinc/85/01/18/571850118.db2.gz PLNPUKWOWVJSRQ-WDYNHAJCSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NS(C)(=O)=O ZINC000225480635 571850929 /nfs/dbraw/zinc/85/09/29/571850929.db2.gz CJKAGEXRZTWZGL-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000260917973 571851455 /nfs/dbraw/zinc/85/14/55/571851455.db2.gz KHEHUXLAUQWOJY-XTOBZSLNSA-N 0 0 613.275 7.868 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000260917961 571851479 /nfs/dbraw/zinc/85/14/79/571851479.db2.gz KGCPQDZDUYFZHS-DOMDLIBDSA-N 0 0 585.221 7.505 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481128 571851715 /nfs/dbraw/zinc/85/17/15/571851715.db2.gz CVAKFCNPKGDOKI-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225481352 571852083 /nfs/dbraw/zinc/85/20/83/571852083.db2.gz QWNLWHCGFCZXEB-IZLXSDGUSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482390 571853087 /nfs/dbraw/zinc/85/30/87/571853087.db2.gz LRNNRJIHCSSAAB-SVBPBHIXSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225482866 571853474 /nfs/dbraw/zinc/85/34/74/571853474.db2.gz HMUUOZCLKOQRAM-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483038 571853530 /nfs/dbraw/zinc/85/35/30/571853530.db2.gz QNBPRBMNFPNRAZ-LMSSTIIKSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NS(C)(=O)=O ZINC000225482713 571853569 /nfs/dbraw/zinc/85/35/69/571853569.db2.gz QWEWETRRFBASCD-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000260921004 571855999 /nfs/dbraw/zinc/85/59/99/571855999.db2.gz OBOUHQDITONRAY-AJQTZOPKSA-N 0 0 546.740 7.991 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000260922635 571859718 /nfs/dbraw/zinc/85/97/18/571859718.db2.gz QWIUANXHIXVRDZ-GUOKZPHASA-N 0 0 612.287 8.727 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000260922760 571859826 /nfs/dbraw/zinc/85/98/26/571859826.db2.gz RMXHEKQADHXEJN-ZVUFWCIGSA-N 0 0 645.229 7.719 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000260924242 571862369 /nfs/dbraw/zinc/86/23/69/571862369.db2.gz SOJQOHNMLWKZSK-AJQTZOPKSA-N 0 0 562.739 7.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000260925490 571864576 /nfs/dbraw/zinc/86/45/76/571864576.db2.gz UPIMPNZCVYCGPQ-SMTPQVMYSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000260925657 571865074 /nfs/dbraw/zinc/86/50/74/571865074.db2.gz WMBQEASUZVILEW-XPTBSDKWSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225502787 571872699 /nfs/dbraw/zinc/87/26/99/571872699.db2.gz HETBSCRTCCTDER-FIRIVFDPSA-N 0 0 531.685 6.254 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225504180 571874740 /nfs/dbraw/zinc/87/47/40/571874740.db2.gz DPLYDQFRBCYUMG-WDYNHAJCSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225505057 571875481 /nfs/dbraw/zinc/87/54/81/571875481.db2.gz OPIALAFEEXEKJK-KAYWLYCHSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225506785 571877462 /nfs/dbraw/zinc/87/74/62/571877462.db2.gz GKYFMHLARCEJEO-VMPREFPWSA-N 0 0 524.694 5.166 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225506674 571877507 /nfs/dbraw/zinc/87/75/07/571877507.db2.gz GKYFMHLARCEJEO-FQLXRVMXSA-N 0 0 524.694 5.166 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225507673 571878512 /nfs/dbraw/zinc/87/85/12/571878512.db2.gz VDPDLJZNGIEBTB-YTMVLYRLSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225508682 571880007 /nfs/dbraw/zinc/88/00/07/571880007.db2.gz UKHNNWJYYTYHIX-WUFINQPMSA-N 0 0 530.097 6.062 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225522069 571890457 /nfs/dbraw/zinc/89/04/57/571890457.db2.gz AXPNOELXSGTNMK-ZWXJPIIXSA-N 0 0 580.758 5.327 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225527327 571894014 /nfs/dbraw/zinc/89/40/14/571894014.db2.gz SONIYCMQNHWURT-ROJLCIKYSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225527354 571894036 /nfs/dbraw/zinc/89/40/36/571894036.db2.gz SONIYCMQNHWURT-ZWXJPIIXSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000225527931 571894426 /nfs/dbraw/zinc/89/44/26/571894426.db2.gz KHBKCOYQNZVTHZ-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000225528668 571895423 /nfs/dbraw/zinc/89/54/23/571895423.db2.gz BPJLSZVNIVJHJZ-VSGBNLITSA-N 0 0 513.642 5.630 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530164 571897281 /nfs/dbraw/zinc/89/72/81/571897281.db2.gz SCMSIGMQUPWAHE-AJQTZOPKSA-N 0 0 566.775 6.337 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225530292 571897331 /nfs/dbraw/zinc/89/73/31/571897331.db2.gz WIOATVDHBAZUQB-WUFINQPMSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225530703 571897768 /nfs/dbraw/zinc/89/77/68/571897768.db2.gz VQTNPJDVHHOVAE-DGPALRBDSA-N 0 0 523.706 6.107 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531913 571898686 /nfs/dbraw/zinc/89/86/86/571898686.db2.gz DYUHQDBMAPZKHD-VMPREFPWSA-N 0 0 570.675 5.407 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225532003 571898719 /nfs/dbraw/zinc/89/87/19/571898719.db2.gz RHHUIHVAHPADTD-IGYGKHONSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225547923 571911001 /nfs/dbraw/zinc/91/10/01/571911001.db2.gz QXJADVDPMIVAST-KYJUHHDHSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225547980 571911024 /nfs/dbraw/zinc/91/10/24/571911024.db2.gz QXJADVDPMIVAST-XZWHSSHBSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225547517 571911109 /nfs/dbraw/zinc/91/11/09/571911109.db2.gz SILVSWUNELYHBJ-HEVIKAOCSA-N 0 0 573.766 7.206 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225548306 571911483 /nfs/dbraw/zinc/91/14/83/571911483.db2.gz FLEBYIKQHFAVMK-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225549812 571912577 /nfs/dbraw/zinc/91/25/77/571912577.db2.gz UDVHPPXRXGAJBQ-XZWHSSHBSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225550237 571912616 /nfs/dbraw/zinc/91/26/16/571912616.db2.gz REZMUUXCONBPCB-XZWHSSHBSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225550347 571913147 /nfs/dbraw/zinc/91/31/47/571913147.db2.gz SFEDTXAIDYBPQA-IHLOFXLRSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000225551306 571914200 /nfs/dbraw/zinc/91/42/00/571914200.db2.gz UUAMYGDUNXFVGD-SZAHLOSFSA-N 0 0 594.829 6.899 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225551955 571914939 /nfs/dbraw/zinc/91/49/39/571914939.db2.gz OBHPNCQUCPEZSQ-XDFJSJKPSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225551922 571915045 /nfs/dbraw/zinc/91/50/45/571915045.db2.gz OBHPNCQUCPEZSQ-BHYZAODMSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225551990 571915095 /nfs/dbraw/zinc/91/50/95/571915095.db2.gz OBHPNCQUCPEZSQ-XLJNKUFUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225552414 571915365 /nfs/dbraw/zinc/91/53/65/571915365.db2.gz WABLYUXOODXJMR-ZQWAWDFXSA-N 0 0 565.787 6.978 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225552947 571915934 /nfs/dbraw/zinc/91/59/34/571915934.db2.gz KOORTDIAFAYBNO-IOWSJCHKSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225553201 571916148 /nfs/dbraw/zinc/91/61/48/571916148.db2.gz ATPIVBJSGFETFW-JSOSNVBQSA-N 0 0 588.177 6.715 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225553174 571916157 /nfs/dbraw/zinc/91/61/57/571916157.db2.gz ATPIVBJSGFETFW-CONSDPRKSA-N 0 0 588.177 6.715 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000225553439 571916199 /nfs/dbraw/zinc/91/61/99/571916199.db2.gz BNWAUBXEGNABKE-WEZIJMHWSA-N 0 0 565.787 6.924 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000225561259 571923228 /nfs/dbraw/zinc/92/32/28/571923228.db2.gz OLKVJVFIIMVTTL-VMPREFPWSA-N 0 0 509.679 5.744 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225564621 571926489 /nfs/dbraw/zinc/92/64/89/571926489.db2.gz CKXVNKRYTDXAOT-SAIUNTKASA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225569252 571931140 /nfs/dbraw/zinc/93/11/40/571931140.db2.gz HQZZQZKVVDQBAO-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225569862 571931804 /nfs/dbraw/zinc/93/18/04/571931804.db2.gz JPYAWNWIUIFZSH-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225570125 571931946 /nfs/dbraw/zinc/93/19/46/571931946.db2.gz IEBTUAZJCJJEON-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225572803 571933895 /nfs/dbraw/zinc/93/38/95/571933895.db2.gz QLJDRNNFMALNAE-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225573052 571934111 /nfs/dbraw/zinc/93/41/11/571934111.db2.gz PTVDVXONPGHYKK-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225573957 571934767 /nfs/dbraw/zinc/93/47/67/571934767.db2.gz FERRFALKVFBRQI-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225575018 571935455 /nfs/dbraw/zinc/93/54/55/571935455.db2.gz PPKIQTYMUDYPGQ-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000225582260 571941442 /nfs/dbraw/zinc/94/14/42/571941442.db2.gz YCCDGMGXWCKHGO-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225582563 571941716 /nfs/dbraw/zinc/94/17/16/571941716.db2.gz DMIXBYQLAOSXNK-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225582634 571941719 /nfs/dbraw/zinc/94/17/19/571941719.db2.gz IWVASXGOEMQWKF-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000225585211 571944025 /nfs/dbraw/zinc/94/40/25/571944025.db2.gz OLHJXDCLPNKMHJ-VSGBNLITSA-N 0 0 529.685 5.854 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225587397 571945079 /nfs/dbraw/zinc/94/50/79/571945079.db2.gz JZCIESLBFXGEHU-VSGBNLITSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225587472 571945329 /nfs/dbraw/zinc/94/53/29/571945329.db2.gz JZCIESLBFXGEHU-WUFINQPMSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225590475 571946653 /nfs/dbraw/zinc/94/66/53/571946653.db2.gz KZWUODKLJZHNJM-WUFINQPMSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000225590192 571946681 /nfs/dbraw/zinc/94/66/81/571946681.db2.gz CGSZBEUCLRTEQU-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225590283 571946728 /nfs/dbraw/zinc/94/67/28/571946728.db2.gz BMFUSMCMSPWUQJ-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C ZINC000225590091 571946788 /nfs/dbraw/zinc/94/67/88/571946788.db2.gz JYINWMGZBDNHMS-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225590642 571946983 /nfs/dbraw/zinc/94/69/83/571946983.db2.gz MJBICSNVHJJENA-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225591838 571947818 /nfs/dbraw/zinc/94/78/18/571947818.db2.gz YEXLKWHRUKHBQZ-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225594414 571949937 /nfs/dbraw/zinc/94/99/37/571949937.db2.gz JYFBJXFUZZLLFT-WDYNHAJCSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595190 571950389 /nfs/dbraw/zinc/95/03/89/571950389.db2.gz ASGWHKKVBJQVQY-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595065 571950459 /nfs/dbraw/zinc/95/04/59/571950459.db2.gz LFVNBGBBOLXUAX-FQLXRVMXSA-N 0 0 578.113 6.292 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ncccc1C ZINC000225595500 571950743 /nfs/dbraw/zinc/95/07/43/571950743.db2.gz JTRWUAGGHYJBGX-RRPNLBNLSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225603179 571956728 /nfs/dbraw/zinc/95/67/28/571956728.db2.gz NUHXOGCIONIDQD-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225603474 571957157 /nfs/dbraw/zinc/95/71/57/571957157.db2.gz RBZPHSRTGHSIES-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000225610690 571962692 /nfs/dbraw/zinc/96/26/92/571962692.db2.gz SIEINTBFOVUBRT-IZLXSDGUSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C ZINC000225610795 571962998 /nfs/dbraw/zinc/96/29/98/571962998.db2.gz SDCZDUBFQYRYOP-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225611260 571963291 /nfs/dbraw/zinc/96/32/91/571963291.db2.gz QYATUNZZLPXUER-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F ZINC000225611463 571963293 /nfs/dbraw/zinc/96/32/93/571963293.db2.gz UASWHIVDWBEJAX-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(O)cc1 ZINC000225612577 571964216 /nfs/dbraw/zinc/96/42/16/571964216.db2.gz ZRYKLPCWHVDHIL-VSGBNLITSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225612747 571964671 /nfs/dbraw/zinc/96/46/71/571964671.db2.gz CVWIRODEMAWDLP-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613442 571965035 /nfs/dbraw/zinc/96/50/35/571965035.db2.gz JBDFKNIMVZSJSI-ROJLCIKYSA-N 0 0 584.765 6.476 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613535 571965149 /nfs/dbraw/zinc/96/51/49/571965149.db2.gz JBDFKNIMVZSJSI-ACHIHNKUSA-N 0 0 584.765 6.476 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000225613678 571965193 /nfs/dbraw/zinc/96/51/93/571965193.db2.gz XYTUQJBGGHBICL-NSOVKSMOSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cccc1C ZINC000225614165 571965596 /nfs/dbraw/zinc/96/55/96/571965596.db2.gz QWYPAVNKSFUXMK-DGPALRBDSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615446 571966312 /nfs/dbraw/zinc/96/63/12/571966312.db2.gz ZPDLMQLAFLJEDI-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615607 571966316 /nfs/dbraw/zinc/96/63/16/571966316.db2.gz MNSVOLILGFSZCC-SMCANUKXSA-N 0 0 555.723 6.500 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ncccc1C ZINC000225615858 571966672 /nfs/dbraw/zinc/96/66/72/571966672.db2.gz UBKDQKNGTQGOPD-SVBPBHIXSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225622438 571973145 /nfs/dbraw/zinc/97/31/45/571973145.db2.gz JLZFMOGNWKCTPW-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225624490 571975778 /nfs/dbraw/zinc/97/57/78/571975778.db2.gz IHMDLEOVBNOKFO-IHLOFXLRSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1 ZINC000225628753 571980435 /nfs/dbraw/zinc/98/04/35/571980435.db2.gz RQQFXFZAIMAZRN-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225628435 571980474 /nfs/dbraw/zinc/98/04/74/571980474.db2.gz AQHQVNHBACOADQ-SZAHLOSFSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225629066 571980914 /nfs/dbraw/zinc/98/09/14/571980914.db2.gz ATHBSDONGLUPSB-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225629771 571981883 /nfs/dbraw/zinc/98/18/83/571981883.db2.gz TWHHMLJOTPXLCK-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225630275 571982270 /nfs/dbraw/zinc/98/22/70/571982270.db2.gz OVMMNILQXJFNGH-KYJUHHDHSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Br ZINC000225630132 571982403 /nfs/dbraw/zinc/98/24/03/571982403.db2.gz OFHPNQZCVYJCPD-IHLOFXLRSA-N 0 0 602.602 6.870 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225630678 571982837 /nfs/dbraw/zinc/98/28/37/571982837.db2.gz JABYQRBTWIIPOP-JSOSNVBQSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225631528 571983700 /nfs/dbraw/zinc/98/37/00/571983700.db2.gz GQHBUYRKXWOYAS-LOYHVIPDSA-N 0 0 592.596 7.414 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631355 571983785 /nfs/dbraw/zinc/98/37/85/571983785.db2.gz VKQQNLNDSAWFLX-SZAHLOSFSA-N 0 0 594.829 6.953 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225632643 571984511 /nfs/dbraw/zinc/98/45/11/571984511.db2.gz QEHHXDCHPBOBBX-JSOSNVBQSA-N 0 0 572.178 7.069 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225632617 571984632 /nfs/dbraw/zinc/98/46/32/571984632.db2.gz QEHHXDCHPBOBBX-FIRIVFDPSA-N 0 0 572.178 7.069 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225633404 571985427 /nfs/dbraw/zinc/98/54/27/571985427.db2.gz VGEUVGDAJWJEGC-LOYHVIPDSA-N 0 0 538.721 5.811 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 ZINC000225638970 571990414 /nfs/dbraw/zinc/99/04/14/571990414.db2.gz ZUNAMTPCPZHBDX-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225639409 571990647 /nfs/dbraw/zinc/99/06/47/571990647.db2.gz YLRGJAPLFOKUHG-IOWSJCHKSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225641676 571992187 /nfs/dbraw/zinc/99/21/87/571992187.db2.gz FSJCWEYTUWKNBS-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000225646421 571995231 /nfs/dbraw/zinc/99/52/31/571995231.db2.gz KJCHXVIWWOEKSK-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225646851 571995621 /nfs/dbraw/zinc/99/56/21/571995621.db2.gz IDRMIFVEWGJAPD-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225646828 571995682 /nfs/dbraw/zinc/99/56/82/571995682.db2.gz IDRMIFVEWGJAPD-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225646964 571995896 /nfs/dbraw/zinc/99/58/96/571995896.db2.gz XNLVRACPSOJPDJ-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225647618 571996479 /nfs/dbraw/zinc/99/64/79/571996479.db2.gz UWBMSXNQXMFNQC-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225648353 571997372 /nfs/dbraw/zinc/99/73/72/571997372.db2.gz DTNPKZWPLMSFPU-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225648907 571997738 /nfs/dbraw/zinc/99/77/38/571997738.db2.gz JZXKHEQMWJIMTO-JSOSNVBQSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225649173 571998079 /nfs/dbraw/zinc/99/80/79/571998079.db2.gz AOTVMLNGYXDQMK-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225649372 571998192 /nfs/dbraw/zinc/99/81/92/571998192.db2.gz CNHCNLCOFKQZNH-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225649322 571998208 /nfs/dbraw/zinc/99/82/08/571998208.db2.gz CNHCNLCOFKQZNH-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225649149 571998216 /nfs/dbraw/zinc/99/82/16/571998216.db2.gz AOTVMLNGYXDQMK-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650629 571998882 /nfs/dbraw/zinc/99/88/82/571998882.db2.gz GIQDKRDPHPQADS-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225650910 571999252 /nfs/dbraw/zinc/99/92/52/571999252.db2.gz HALRQFYZASGGIL-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225657690 572004275 /nfs/dbraw/zinc/00/42/75/572004275.db2.gz BCRDSYDMAKKWEV-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225657844 572004445 /nfs/dbraw/zinc/00/44/45/572004445.db2.gz KIVCLUFHRMYMFN-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225665719 572009008 /nfs/dbraw/zinc/00/90/08/572009008.db2.gz FDWIHGIMRGBQRG-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225665934 572009079 /nfs/dbraw/zinc/00/90/79/572009079.db2.gz WTDJGFQOIUSIQL-URLMMPGGSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225665815 572009097 /nfs/dbraw/zinc/00/90/97/572009097.db2.gz VATKVUZBTFXCJE-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225665375 572009113 /nfs/dbraw/zinc/00/91/13/572009113.db2.gz GCQDOEQRXRFAFT-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225666270 572009484 /nfs/dbraw/zinc/00/94/84/572009484.db2.gz XHGSWVZORIKIAD-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225668301 572010288 /nfs/dbraw/zinc/01/02/88/572010288.db2.gz XPJPUSREMVNERQ-IOWSJCHKSA-N 0 0 568.747 5.565 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225669049 572010845 /nfs/dbraw/zinc/01/08/45/572010845.db2.gz DOFDZIUPULVBMJ-VEEOACQBSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225668856 572010859 /nfs/dbraw/zinc/01/08/59/572010859.db2.gz YPIABXYZLMLAJT-FIRIVFDPSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225669502 572011174 /nfs/dbraw/zinc/01/11/74/572011174.db2.gz ADWDYRXCYIKMBL-XLJNKUFUSA-N 0 0 567.759 6.424 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225669559 572011261 /nfs/dbraw/zinc/01/12/61/572011261.db2.gz LQHNXZIEGVCWGF-IHLOFXLRSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225670192 572011594 /nfs/dbraw/zinc/01/15/94/572011594.db2.gz XWHKDAYMCPLXFX-XZWHSSHBSA-N 0 0 590.149 6.161 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000225669829 572011628 /nfs/dbraw/zinc/01/16/28/572011628.db2.gz PXCAEQZNWKKLBK-XZWHSSHBSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225669888 572011633 /nfs/dbraw/zinc/01/16/33/572011633.db2.gz BPKPNVVJSYOLAT-KYJUHHDHSA-N 0 0 574.150 6.461 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225670446 572011854 /nfs/dbraw/zinc/01/18/54/572011854.db2.gz BJLROBYZDMZIEB-XDFJSJKPSA-N 0 0 567.759 6.370 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225670219 572011967 /nfs/dbraw/zinc/01/19/67/572011967.db2.gz XWHKDAYMCPLXFX-LOYHVIPDSA-N 0 0 590.149 6.161 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225670769 572012347 /nfs/dbraw/zinc/01/23/47/572012347.db2.gz YFLDEZOKZDJBOP-VMPREFPWSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225670795 572012356 /nfs/dbraw/zinc/01/23/56/572012356.db2.gz YFLDEZOKZDJBOP-WDYNHAJCSA-N 0 0 540.693 5.202 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000225682812 572020063 /nfs/dbraw/zinc/02/00/63/572020063.db2.gz QDQSFUMAWCMQIU-NJDAHSKKSA-N 0 0 560.311 5.707 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225682951 572020070 /nfs/dbraw/zinc/02/00/70/572020070.db2.gz MKVBLXVPGUXMDE-VMPREFPWSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225684695 572021156 /nfs/dbraw/zinc/02/11/56/572021156.db2.gz DTIVIIPTCIXVJF-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000225685308 572021612 /nfs/dbraw/zinc/02/16/12/572021612.db2.gz LLHKYMVAHKMQQG-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000225685103 572021642 /nfs/dbraw/zinc/02/16/42/572021642.db2.gz CQJOSZXZRXAEEB-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225685937 572022548 /nfs/dbraw/zinc/02/25/48/572022548.db2.gz ACBLJWOLZUOLFV-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225686902 572023113 /nfs/dbraw/zinc/02/31/13/572023113.db2.gz IQVKTTMVPBHDMF-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1C ZINC000225687716 572024042 /nfs/dbraw/zinc/02/40/42/572024042.db2.gz HUXGUKXMVWLJKT-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225688654 572024416 /nfs/dbraw/zinc/02/44/16/572024416.db2.gz OVYZJENEHAZNRO-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689109 572024817 /nfs/dbraw/zinc/02/48/17/572024817.db2.gz AEOPTVHFMLZXHT-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225689291 572024875 /nfs/dbraw/zinc/02/48/75/572024875.db2.gz LJMSYCKJMNGUKN-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ncccc1C ZINC000225689481 572025302 /nfs/dbraw/zinc/02/53/02/572025302.db2.gz RARPUXUEKMOWKY-NSOVKSMOSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225699267 572030671 /nfs/dbraw/zinc/03/06/71/572030671.db2.gz TUKXZEJCSFEVNW-ZPGRZCPFSA-N 0 0 630.818 6.480 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc2ccccc21 ZINC000225703596 572034432 /nfs/dbraw/zinc/03/44/32/572034432.db2.gz BOJHJNAGRPZVQV-XDSPJLLDSA-N 0 0 595.772 7.797 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000225703946 572034814 /nfs/dbraw/zinc/03/48/14/572034814.db2.gz RTKHYKLTLQJJLH-ZWXJPIIXSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000225704307 572035273 /nfs/dbraw/zinc/03/52/73/572035273.db2.gz SHHHSGIMPQCALI-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(F)(F)F ZINC000225704435 572035297 /nfs/dbraw/zinc/03/52/97/572035297.db2.gz ZHQZXJPNHZWYEC-ACHIHNKUSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Cl ZINC000225705053 572035594 /nfs/dbraw/zinc/03/55/94/572035594.db2.gz XGWGNHMDWHXQMO-ZWXJPIIXSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1 ZINC000225705130 572035978 /nfs/dbraw/zinc/03/59/78/572035978.db2.gz RIWDFZGOJFHTSJ-ROJLCIKYSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Br ZINC000225705400 572035995 /nfs/dbraw/zinc/03/59/95/572035995.db2.gz ARRXFBLBJUZSGP-ZWXJPIIXSA-N 0 0 624.608 7.406 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225705959 572036336 /nfs/dbraw/zinc/03/63/36/572036336.db2.gz DGKCCZXTUMKLHV-CZNDPXEESA-N 0 0 575.738 6.652 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706701 572037241 /nfs/dbraw/zinc/03/72/41/572037241.db2.gz IFBOAFPXHNVKDB-MPQUPPDSSA-N 0 0 616.835 7.490 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000225707414 572037430 /nfs/dbraw/zinc/03/74/30/572037430.db2.gz NMMFIQZZKVHCFJ-HEVIKAOCSA-N 0 0 573.766 7.260 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225792682 572069667 /nfs/dbraw/zinc/06/96/67/572069667.db2.gz AHIADLTXDJEJII-LJQANCHMSA-N 0 0 542.126 5.795 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225792756 572069690 /nfs/dbraw/zinc/06/96/90/572069690.db2.gz OFKAJHYZRZKAMI-UXHICEINSA-N 0 0 556.153 6.041 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225806074 572072610 /nfs/dbraw/zinc/07/26/10/572072610.db2.gz AKYZSTBRVXIJCE-UXHICEINSA-N 0 0 556.153 6.041 40 10 KKCBRN C[C@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954071 572086454 /nfs/dbraw/zinc/08/64/54/572086454.db2.gz CRYGZKLYSUKGTE-VWLOTQADSA-N 0 0 570.811 5.269 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953880 572086458 /nfs/dbraw/zinc/08/64/58/572086458.db2.gz BXBSLGFMPYUBMP-VWLOTQADSA-N 0 0 570.811 5.126 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953860 572086496 /nfs/dbraw/zinc/08/64/96/572086496.db2.gz BXBSLGFMPYUBMP-RUZDIDTESA-N 0 0 570.811 5.126 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953895 572086539 /nfs/dbraw/zinc/08/65/39/572086539.db2.gz YPOIZBRXNSLGNX-HSZRJFAPSA-N 0 0 541.769 5.362 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCCCCC2)n1 ZINC000225954347 572086978 /nfs/dbraw/zinc/08/69/78/572086978.db2.gz QXWLPFIVTXLSQR-UHFFFAOYSA-N 0 0 570.811 5.270 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 ZINC000225954503 572087044 /nfs/dbraw/zinc/08/70/44/572087044.db2.gz CMVVTYXQUBXBAR-UHFFFAOYSA-N 0 0 507.752 5.324 40 10 KKCBRN Nc1c2cc3c(nc2sc1C(=O)OC1CCN(C(=O)Nc2ccccc2)CC1)C[C@@H](c1ccccc1)CC3 ZINC000261526794 572113110 /nfs/dbraw/zinc/11/31/10/572113110.db2.gz LEWGVWNNEZNSJK-FQEVSTJZSA-N 0 0 526.662 6.004 40 10 KKCBRN C[C@H](O)[C@H](C)N1CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)C=N1 ZINC000299754598 572134238 /nfs/dbraw/zinc/13/42/38/572134238.db2.gz ZJRSLIGFTARJPC-WIBBUJLXSA-N 0 0 707.663 5.051 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C ZINC000408526383 572157592 /nfs/dbraw/zinc/15/75/92/572157592.db2.gz BFBQCHMMZMYFJG-XYGWBWBKSA-N 0 0 561.524 6.962 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c(Cl)c1 ZINC000408530395 572171899 /nfs/dbraw/zinc/17/18/99/572171899.db2.gz KUGQCNDYOBJFNO-MOSHPQCFSA-N 0 0 517.116 6.495 40 10 KKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408532985 572181570 /nfs/dbraw/zinc/18/15/70/572181570.db2.gz NNXNZQISFHOHIK-KAMYIIQDSA-N 0 0 519.820 5.938 40 10 KKCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O ZINC000408537146 572193183 /nfs/dbraw/zinc/19/31/83/572193183.db2.gz ZIDZNHFPEKIRGL-KQWNVCNZSA-N 0 0 528.012 5.199 40 10 KKCBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(Br)c(C)c2C)N=C1C ZINC000408537035 572193461 /nfs/dbraw/zinc/19/34/61/572193461.db2.gz YVIVAKIVLDMDCL-VBKFSLOCSA-N 0 0 511.424 5.213 40 10 KKCBRN CCCCCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408538736 572199623 /nfs/dbraw/zinc/19/96/23/572199623.db2.gz PZACVXFYWJXACD-UHFFFAOYSA-N 0 0 626.345 7.754 40 10 KKCBRN CCOc1cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538914 572199889 /nfs/dbraw/zinc/19/98/89/572199889.db2.gz RGDYYAZCOAAWPN-UHFFFAOYSA-N 0 0 654.719 7.835 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OCC)ccc1OCc1ccccc1 ZINC000408539057 572200408 /nfs/dbraw/zinc/20/04/08/572200408.db2.gz DZEXQOVICZRBSA-MIXAMLLLSA-N 0 0 597.111 8.102 40 10 KKCBRN CCOc1cc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2)ccc1OCc1ccccc1 ZINC000408539088 572200447 /nfs/dbraw/zinc/20/04/47/572200447.db2.gz FHYMQFIPRSQHDC-COEJQBHMSA-N 0 0 518.613 7.049 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OCC)ccc1OCc1ccccc1 ZINC000408539598 572202881 /nfs/dbraw/zinc/20/28/81/572202881.db2.gz IKVCNMKFGBVUKR-MIXAMLLLSA-N 0 0 641.562 8.211 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539789 572203387 /nfs/dbraw/zinc/20/33/87/572203387.db2.gz JSCOUXSIJMLGFE-YDZHTSKRSA-N 0 0 546.497 7.039 40 10 KKCBRN CCOc1cc(COc2ccc(Br)cc2/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540223 572204987 /nfs/dbraw/zinc/20/49/87/572204987.db2.gz OUCHDIUZEVAWLN-CVKSISIWSA-N 0 0 581.488 6.112 40 10 KKCBRN CCOc1cc(COc2ccc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540437 572205770 /nfs/dbraw/zinc/20/57/70/572205770.db2.gz RUHAGASEJRIYHJ-JVWAILMASA-N 0 0 532.618 5.358 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408541440 572209006 /nfs/dbraw/zinc/20/90/06/572209006.db2.gz ZOASTALRHHAIFW-MFKUBSTISA-N 0 0 556.105 6.784 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550861 572235049 /nfs/dbraw/zinc/23/50/49/572235049.db2.gz HTUPOJQQHJOQAU-JAIQZWGSSA-N 0 0 650.300 6.820 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408551804 572236930 /nfs/dbraw/zinc/23/69/30/572236930.db2.gz GGBCCQXOGZYFKN-ODLFYWEKSA-N 0 0 559.247 6.580 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408554148 572241390 /nfs/dbraw/zinc/24/13/90/572241390.db2.gz QLYSGYCZHIQGGT-UHFFFAOYSA-N 0 0 665.327 7.357 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554181 572241794 /nfs/dbraw/zinc/24/17/94/572241794.db2.gz ZXYNTRJZHIEORJ-IWIPYMOSSA-N 0 0 620.920 7.898 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)SC2=S)cc1 ZINC000408572129 572257578 /nfs/dbraw/zinc/25/75/78/572257578.db2.gz FHEKYFJBLIXCBU-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)cc1 ZINC000408572199 572257704 /nfs/dbraw/zinc/25/77/04/572257704.db2.gz FOZRNKQVLZLZGX-IWIPYMOSSA-N 0 0 597.556 6.888 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2Cl)cc1 ZINC000408572712 572258023 /nfs/dbraw/zinc/25/80/23/572258023.db2.gz HUUXDYPIBRYRHN-UCQKPKSFSA-N 0 0 509.052 6.067 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)SC2=S)cc1 ZINC000408572685 572258039 /nfs/dbraw/zinc/25/80/39/572258039.db2.gz HPXAWNUGRYRXFC-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000408574623 572259795 /nfs/dbraw/zinc/25/97/95/572259795.db2.gz AJGHYXULSMPXLG-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3)SC2=S)cc1 ZINC000408575280 572260429 /nfs/dbraw/zinc/26/04/29/572260429.db2.gz NPMZXACCHSUOCG-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000408575935 572260878 /nfs/dbraw/zinc/26/08/78/572260878.db2.gz OWNNBOMZNICHQR-QRVIBDJDSA-N 0 0 509.052 6.067 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000408576591 572261289 /nfs/dbraw/zinc/26/12/89/572261289.db2.gz PYHRTHBYMDWSIU-HAHDFKILSA-N 0 0 509.052 5.801 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)cc(C)c4)c3)SC2=S)cc1 ZINC000408577272 572261870 /nfs/dbraw/zinc/26/18/70/572261870.db2.gz SEGICCVGKSMOHL-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408577858 572262398 /nfs/dbraw/zinc/26/23/98/572262398.db2.gz UYROEMMKQCHRCT-HMAPJEAMSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408578565 572263270 /nfs/dbraw/zinc/26/32/70/572263270.db2.gz YVFAXWPIGNHRKA-ODLFYWEKSA-N 0 0 505.459 5.385 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000408578548 572263275 /nfs/dbraw/zinc/26/32/75/572263275.db2.gz YPOUPLKNLBVHRI-UCQKPKSFSA-N 0 0 567.530 6.485 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408578591 572263284 /nfs/dbraw/zinc/26/32/84/572263284.db2.gz ZCIXJMNLRSMQJQ-MTJSOVHGSA-N 0 0 532.540 6.268 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408578584 572263287 /nfs/dbraw/zinc/26/32/87/572263287.db2.gz ZAQGHWFZPUJZLR-IWIPYMOSSA-N 0 0 597.556 6.888 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000408601291 572272792 /nfs/dbraw/zinc/27/27/92/572272792.db2.gz JPIMODYXNXNGFV-MYKKPKGFSA-N 0 0 557.112 6.507 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1 ZINC000408602420 572273293 /nfs/dbraw/zinc/27/32/93/572273293.db2.gz NKVWQOCUZYFBCA-UCQKPKSFSA-N 0 0 500.016 6.863 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408603421 572273625 /nfs/dbraw/zinc/27/36/25/572273625.db2.gz QRXVLVVPLDMZRQ-NLRVBDNBSA-N 0 0 571.073 7.423 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408605029 572274312 /nfs/dbraw/zinc/27/43/12/572274312.db2.gz WNHORCYMFWRGSJ-OCKHKDLRSA-N 0 0 556.887 5.847 40 10 KKCBRN CC[C@H](C)N1N=CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)[C@@H]1O ZINC000253995270 572302035 /nfs/dbraw/zinc/30/20/35/572302035.db2.gz KHDVLIXZARJRJG-CRTCSHHMSA-N 0 0 707.663 5.399 40 10 KKCBRN CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652801 572304062 /nfs/dbraw/zinc/30/40/62/572304062.db2.gz IJLVYFDMPDNLIW-CUZWBVCDSA-N 0 0 661.585 8.188 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408662593 572309698 /nfs/dbraw/zinc/30/96/98/572309698.db2.gz FQFMJLLLFQPIQP-UHFFFAOYSA-N 0 0 500.526 6.062 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408664011 572310540 /nfs/dbraw/zinc/31/05/40/572310540.db2.gz IPLRCQIYYNCXPF-UHFFFAOYSA-N 0 0 575.459 6.994 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)c3)C(=O)[C@@H]2C1 ZINC000408675719 572318304 /nfs/dbraw/zinc/31/83/04/572318304.db2.gz BVLMUVFALINGSV-VSGBNLITSA-N 0 0 502.570 6.730 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000260741041 572324813 /nfs/dbraw/zinc/32/48/13/572324813.db2.gz DJROYMGNELSXKI-OAQYLSRUSA-N 0 0 506.112 5.308 40 10 KKCBRN CS(=O)(=O)c1cc(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(C)(=O)=O)c5ccccc5c4N)cc3)cc2)c(N)c2ccccc21 ZINC000097947579 1069689914 /nfs/dbraw/zinc/68/99/14/1069689914.db2.gz ZTXIEUJRGKDGGK-HVMBLDELSA-N 0 0 648.770 8.462 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OC(=O)c1oc2ccccc2c1C ZINC000097957645 1069690646 /nfs/dbraw/zinc/69/06/46/1069690646.db2.gz QURUWVRIANQSJW-MTDXEUNCSA-N 0 0 603.718 6.820 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000102687220 1069707261 /nfs/dbraw/zinc/70/72/61/1069707261.db2.gz LPNCXIQSJORLTP-JECJHWOISA-N 0 0 505.665 5.708 40 10 KKCBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CCCN1C(=O)C(=Cc2cccs2)SC1=S ZINC000102578850 1069704747 /nfs/dbraw/zinc/70/47/47/1069704747.db2.gz KVZBGWZABPYFDP-RVDMUPIBSA-N 0 0 522.695 5.117 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Cl ZINC000102681238 1069706040 /nfs/dbraw/zinc/70/60/40/1069706040.db2.gz VOKDUFPKHLGYGW-PCLIKHOPSA-N 0 0 532.090 6.993 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000102686487 1069706685 /nfs/dbraw/zinc/70/66/85/1069706685.db2.gz PCQZQCJXNPZBAD-RBHPVMCRSA-N 0 0 537.085 6.061 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c1 ZINC000102687374 1069707101 /nfs/dbraw/zinc/70/71/01/1069707101.db2.gz HXIUMCUWPDZGOG-VKLZREONSA-N 0 0 516.667 5.798 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C(=O)N1c1cccc(Cl)c1 ZINC000408727164 1069736377 /nfs/dbraw/zinc/73/63/77/1069736377.db2.gz OYJSWZWVFNOTRM-WAGURDLBSA-N 0 0 503.889 7.721 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727158 1069736436 /nfs/dbraw/zinc/73/64/36/1069736436.db2.gz QFMJSONWCKDLKJ-KJDHVJLISA-N 0 0 717.629 6.281 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1cccc(Br)c1 ZINC000408762969 1069738575 /nfs/dbraw/zinc/73/85/75/1069738575.db2.gz CTGSCZBGMPWUCE-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408968653 1069764018 /nfs/dbraw/zinc/76/40/18/1069764018.db2.gz AQVQJMFJFOPKCR-JYRVWZFOSA-N 0 0 598.100 5.253 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408954584 1069763485 /nfs/dbraw/zinc/76/34/85/1069763485.db2.gz RTHNACVQTOMMEP-CCVNUDIWSA-N 0 0 640.136 6.500 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408991448 1069768328 /nfs/dbraw/zinc/76/83/28/1069768328.db2.gz OGKRPHKBYDUHES-FIRIVFDPSA-N 0 0 801.972 9.017 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409142026 1069789119 /nfs/dbraw/zinc/78/91/19/1069789119.db2.gz AHJGLLCEQYNRFU-VYYCAZPPSA-N 0 0 605.782 5.860 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408761708 1069853503 /nfs/dbraw/zinc/85/35/03/1069853503.db2.gz KWTFYUHZDQKFEY-VXLYETTFSA-N 0 0 681.708 6.270 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000408763218 1069868884 /nfs/dbraw/zinc/86/88/84/1069868884.db2.gz IHHUYUBCFXHFLV-ATVHPVEESA-N 0 0 501.207 7.236 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408769732 1069877182 /nfs/dbraw/zinc/87/71/82/1069877182.db2.gz OFUDLTXOZPHUCT-USDTVRPUSA-N 0 0 586.555 5.633 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)S2)cc1 ZINC000408776791 1069884221 /nfs/dbraw/zinc/88/42/21/1069884221.db2.gz QTFHQHVPEJZAAB-DDIUQFJASA-N 0 0 527.665 6.974 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408780863 1069904705 /nfs/dbraw/zinc/90/47/05/1069904705.db2.gz METYTOQUVVOOAM-DIBXZPPDSA-N 0 0 532.637 5.180 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408805122 1069952357 /nfs/dbraw/zinc/95/23/57/1069952357.db2.gz FBDDZFPLSCXKMZ-AHVBHIFMSA-N 0 0 596.558 7.753 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408812402 1069968549 /nfs/dbraw/zinc/96/85/49/1069968549.db2.gz LUMFJUDFDLRMFN-IOVLZMKASA-N 0 0 505.107 7.802 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408817587 1069974790 /nfs/dbraw/zinc/97/47/90/1069974790.db2.gz NPAGWGVQTPFZRR-UHFFFAOYSA-N 0 0 686.444 9.253 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408826554 1070004165 /nfs/dbraw/zinc/00/41/65/1070004165.db2.gz DVOUFQLRWCMNRU-JVAFGIKQSA-N 0 0 573.314 8.373 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(OCc6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000408824811 1070011081 /nfs/dbraw/zinc/01/10/81/1070011081.db2.gz HUEFGUCGKAIWHD-AQYRAMDWSA-N 0 0 708.884 7.486 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(C(C)=O)cc5)c4C)c(=O)n32)cc1 ZINC000408825127 1070011937 /nfs/dbraw/zinc/01/19/37/1070011937.db2.gz AHPRYPSDSHUVFP-STOXBUQISA-N 0 0 644.797 6.109 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836025 1070039808 /nfs/dbraw/zinc/03/98/08/1070039808.db2.gz PHOIAQLDKHDKED-RIFKOAFWSA-N 0 0 664.655 6.839 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408857544 1070068368 /nfs/dbraw/zinc/06/83/68/1070068368.db2.gz KNUCPUFUKUAQOI-RNHFSVANSA-N 0 0 544.411 8.190 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408856023 1070075348 /nfs/dbraw/zinc/07/53/48/1070075348.db2.gz HVJQKJPXNLZTTM-FOKLQQMPSA-N 0 0 595.367 8.139 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408866126 1070084933 /nfs/dbraw/zinc/08/49/33/1070084933.db2.gz DOAXUJLKCGQSAW-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408866955 1070086636 /nfs/dbraw/zinc/08/66/36/1070086636.db2.gz JGFHPXLGUAYBQR-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408868375 1070089380 /nfs/dbraw/zinc/08/93/80/1070089380.db2.gz PXMCLIODXIDUFS-UHFFFAOYSA-N 0 0 557.046 6.827 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408870499 1070094134 /nfs/dbraw/zinc/09/41/34/1070094134.db2.gz FQTDAZLYRFYJQB-UUYOSTAYSA-N 0 0 589.430 5.821 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Cc2ccccc2Br)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408870893 1070094410 /nfs/dbraw/zinc/09/44/10/1070094410.db2.gz XVYBGDIREVFCKN-UHFFFAOYSA-N 0 0 587.926 7.442 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408871685 1070095915 /nfs/dbraw/zinc/09/59/15/1070095915.db2.gz ZZKBXUHPKWZVGO-UHFFFAOYSA-N 0 0 632.429 6.613 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000408872422 1070097161 /nfs/dbraw/zinc/09/71/61/1070097161.db2.gz NAUYVQVDDSLSQP-UHFFFAOYSA-N 0 0 504.542 5.858 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000408872524 1070097855 /nfs/dbraw/zinc/09/78/55/1070097855.db2.gz FSSZNPQKMHERJX-AQHIEDMUSA-N 0 0 573.549 5.525 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408879165 1070102383 /nfs/dbraw/zinc/10/23/83/1070102383.db2.gz BXRIUDJBPCYTJR-UHFFFAOYSA-N 0 0 522.532 5.997 40 10 KKCBRN Cc1cc(C)cc(Cc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408876398 1070109485 /nfs/dbraw/zinc/10/94/85/1070109485.db2.gz OHVDCMGHLNLNGN-UHFFFAOYSA-N 0 0 502.639 6.643 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000408877308 1070112007 /nfs/dbraw/zinc/11/20/07/1070112007.db2.gz UOBFXAROLCKGEB-UHFFFAOYSA-N 0 0 507.011 5.886 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408885283 1070120901 /nfs/dbraw/zinc/12/09/01/1070120901.db2.gz YPGNMBPPLYBEGL-UHFFFAOYSA-N 0 0 601.884 7.285 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408880832 1070122513 /nfs/dbraw/zinc/12/25/13/1070122513.db2.gz HOZYNRVKRJNZOZ-XKZIYDEJSA-N 0 0 525.424 5.880 40 10 KKCBRN O=C1C(=Cc2c(Cc3ccccc3F)ccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408882425 1070126051 /nfs/dbraw/zinc/12/60/51/1070126051.db2.gz PXNVZOQEDFDIKP-UHFFFAOYSA-N 0 0 542.635 7.318 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000408891127 1070134019 /nfs/dbraw/zinc/13/40/19/1070134019.db2.gz LYHQFLUNLVBKQK-SXGWCWSVSA-N 0 0 531.824 5.411 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408886227 1070135584 /nfs/dbraw/zinc/13/55/84/1070135584.db2.gz FMWVAJXPEHKOAL-UHFFFAOYSA-N 0 0 674.560 7.244 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OCC)cc1OCC ZINC000408892700 1070153655 /nfs/dbraw/zinc/15/36/55/1070153655.db2.gz JBMSZTCFESUCCI-QNGOZBTKSA-N 0 0 514.416 5.904 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408900985 1070166028 /nfs/dbraw/zinc/16/60/28/1070166028.db2.gz BDRXYRCGAJUJGR-UDWIEESQSA-N 0 0 642.765 7.692 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408901185 1070166846 /nfs/dbraw/zinc/16/68/46/1070166846.db2.gz BRRBRKVYHWTIRB-MFKUBSTISA-N 0 0 527.418 6.996 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901618 1070168468 /nfs/dbraw/zinc/16/84/68/1070168468.db2.gz GVZNQMOERPFNAT-UDWIEESQSA-N 0 0 653.317 6.947 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901581 1070168521 /nfs/dbraw/zinc/16/85/21/1070168521.db2.gz GOUPKSMWQSLBHW-RGVLZGJSSA-N 0 0 630.210 8.503 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408901586 1070168529 /nfs/dbraw/zinc/16/85/29/1070168529.db2.gz GPKGGFZLVYKSLI-ZVHZXABRSA-N 0 0 540.504 7.141 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408907703 1070182740 /nfs/dbraw/zinc/18/27/40/1070182740.db2.gz OXPNJTVAVGMPKM-OGLMXYFKSA-N 0 0 562.688 5.308 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902498 1070183427 /nfs/dbraw/zinc/18/34/27/1070183427.db2.gz OOYUDPIBKPUHTI-HYARGMPZSA-N 0 0 571.474 6.741 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408902446 1070183521 /nfs/dbraw/zinc/18/35/21/1070183521.db2.gz NTXXPYPLXIEKFX-UDWIEESQSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408902941 1070184900 /nfs/dbraw/zinc/18/49/00/1070184900.db2.gz SMXUSSSRIYMMGA-MFKUBSTISA-N 0 0 527.418 6.996 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408902982 1070184978 /nfs/dbraw/zinc/18/49/78/1070184978.db2.gz TUSWCNYOYRTFSW-YBFXNURJSA-N 0 0 563.222 6.983 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408903260 1070186295 /nfs/dbraw/zinc/18/62/95/1070186295.db2.gz WNRZRNHNFUVGGQ-HYARGMPZSA-N 0 0 516.471 7.377 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408917525 1070208633 /nfs/dbraw/zinc/20/86/33/1070208633.db2.gz WFSKIMASGPHJQD-UFFVCSGVSA-N 0 0 502.379 6.546 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000408920049 1070224281 /nfs/dbraw/zinc/22/42/81/1070224281.db2.gz GNPCWPDFOCSPKC-YNMQQHPQSA-N 0 0 557.741 5.316 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)cc1 ZINC000408925399 1070236540 /nfs/dbraw/zinc/23/65/40/1070236540.db2.gz KAAKUVNABHGLDH-UTAOYMJKSA-N 0 0 572.734 5.898 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408925706 1070237217 /nfs/dbraw/zinc/23/72/17/1070237217.db2.gz SJQDCZAJBWFZGK-GKTKDVHMSA-N 0 0 610.176 6.109 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)NC2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408926212 1070238244 /nfs/dbraw/zinc/23/82/44/1070238244.db2.gz WEKUGMAZMMJZGZ-ONUIUJJFSA-N 0 0 545.645 6.672 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408924354 1070242286 /nfs/dbraw/zinc/24/22/86/1070242286.db2.gz HXWFKPGZBXYHDB-SUAMDDGLSA-N 0 0 671.626 5.961 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408927210 1070245894 /nfs/dbraw/zinc/24/58/94/1070245894.db2.gz OVRDJSXKDUFOHC-QUNTYYFUSA-N 0 0 681.596 5.516 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408928807 1070253337 /nfs/dbraw/zinc/25/33/37/1070253337.db2.gz KEIPIJONTDNYAG-JVWAILMASA-N 0 0 509.631 6.539 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408929269 1070255309 /nfs/dbraw/zinc/25/53/09/1070255309.db2.gz SZLKLNFTRGZFJW-OCSSWDANSA-N 0 0 644.591 7.727 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408933454 1070265818 /nfs/dbraw/zinc/26/58/18/1070265818.db2.gz ABFXRALSUYDGPQ-ZVHZXABRSA-N 0 0 566.439 6.692 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408935272 1070272994 /nfs/dbraw/zinc/27/29/94/1070272994.db2.gz CLPNDRVLICHVDR-KEBDBYFISA-N 0 0 529.807 6.676 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934364 1070269180 /nfs/dbraw/zinc/26/91/80/1070269180.db2.gz CFDTVFHUDYPTGZ-MDYVMDJYSA-N 0 0 639.818 6.011 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939920 1070284313 /nfs/dbraw/zinc/28/43/13/1070284313.db2.gz NLTSVFWSHILGGU-FJNIOPPGSA-N 0 0 695.623 5.906 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408937748 1070292624 /nfs/dbraw/zinc/29/26/24/1070292624.db2.gz OLYDYGMHUXVZAH-HYARGMPZSA-N 0 0 630.460 5.208 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944308 1070296794 /nfs/dbraw/zinc/29/67/94/1070296794.db2.gz UZHANBIABULRHM-ZSXMQSLNSA-N 0 0 674.263 6.664 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1c(C)cc(C)cc1C ZINC000408969875 1070334604 /nfs/dbraw/zinc/33/46/04/1070334604.db2.gz WBWDEMZQUNLVDS-HAHDFKILSA-N 0 0 508.540 6.938 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)cc1N1CCCC[C@H]1C ZINC000408975996 1070337264 /nfs/dbraw/zinc/33/72/64/1070337264.db2.gz OKCPLYNBAIDYTA-FWOCFWLASA-N 0 0 536.076 6.812 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408986297 1070347600 /nfs/dbraw/zinc/34/76/00/1070347600.db2.gz POGXFILDXUBZBX-FYJGNVAPSA-N 0 0 519.395 6.844 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000408987804 1070351123 /nfs/dbraw/zinc/35/11/23/1070351123.db2.gz YJLKTFDBIACYGK-QGOAFFKASA-N 0 0 515.234 7.626 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([C@@H](C)CC)cc3)C2=O)cc1Br ZINC000408984244 1070351950 /nfs/dbraw/zinc/35/19/50/1070351950.db2.gz FVZVGRHMRRVXFO-MHIQDMOBSA-N 0 0 502.452 7.833 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1C ZINC000408990832 1070357119 /nfs/dbraw/zinc/35/71/19/1070357119.db2.gz OJMPOCROGKNFSD-NDEPHWFRSA-N 0 0 527.694 5.654 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(C)c4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OC)c1 ZINC000408989689 1070354569 /nfs/dbraw/zinc/35/45/69/1070354569.db2.gz LHHFVUPBKXPPKS-UHFFFAOYSA-N 0 0 636.770 7.273 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995335 1070363500 /nfs/dbraw/zinc/36/35/00/1070363500.db2.gz MKFITXXREWAURN-CTVOUCONSA-N 0 0 534.703 6.125 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408989322 1070362346 /nfs/dbraw/zinc/36/23/46/1070362346.db2.gz HJMBVMSTHVYMOI-LLXISZFLSA-N 0 0 715.613 5.956 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408997056 1070366830 /nfs/dbraw/zinc/36/68/30/1070366830.db2.gz QIABUWCRINMZLC-CLCZQPDDSA-N 0 0 525.095 6.462 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408993154 1070368005 /nfs/dbraw/zinc/36/80/05/1070368005.db2.gz UXGMSLHLRDYAAH-UHFFFAOYSA-N 0 0 596.071 5.176 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408998494 1070373128 /nfs/dbraw/zinc/37/31/28/1070373128.db2.gz QTCNIPODUKXVDR-PDGQHHTCSA-N 0 0 521.205 5.488 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000409000356 1070376119 /nfs/dbraw/zinc/37/61/19/1070376119.db2.gz XWRKNGYSMIGBAP-MYYYXRDXSA-N 0 0 551.426 6.278 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409005566 1070380880 /nfs/dbraw/zinc/38/08/80/1070380880.db2.gz FGNOEZCCBYVABR-OGLMXYFKSA-N 0 0 791.562 8.610 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC1=S ZINC000409005952 1070381409 /nfs/dbraw/zinc/38/14/09/1070381409.db2.gz HLDMWCAYKPZPBH-SXGWCWSVSA-N 0 0 686.172 6.458 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409003235 1070384696 /nfs/dbraw/zinc/38/46/96/1070384696.db2.gz YRVGCGRHNDTSJB-ADUBFANXSA-N 0 0 677.779 5.147 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409009356 1070386834 /nfs/dbraw/zinc/38/68/34/1070386834.db2.gz DOXJCMUTPUHCBM-QXUDOOCXSA-N 0 0 634.846 6.947 40 10 KKCBRN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000409009834 1070387658 /nfs/dbraw/zinc/38/76/58/1070387658.db2.gz INYNKBKDQWBXKN-JXAWBTAJSA-N 0 0 529.774 5.388 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010956 1070388524 /nfs/dbraw/zinc/38/85/24/1070388524.db2.gz GKVOFRZEJODHKQ-AJBULDERSA-N 0 0 596.705 6.165 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409014303 1070394063 /nfs/dbraw/zinc/39/40/63/1070394063.db2.gz XALZVQVQTYIQRT-HAHDFKILSA-N 0 0 569.485 6.333 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409032075 1070418226 /nfs/dbraw/zinc/41/82/26/1070418226.db2.gz ISNKWFUHMDZIMA-JMIUGGIZSA-N 0 0 622.377 7.433 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc2ccccc21 ZINC000409034220 1070426013 /nfs/dbraw/zinc/42/60/13/1070426013.db2.gz PYXJTNLSFXXBKH-UDWIEESQSA-N 0 0 538.472 6.929 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(F)cc2)c2ccccc12 ZINC000409037983 1070427474 /nfs/dbraw/zinc/42/74/74/1070427474.db2.gz OFLYIPNSXBABNM-UDWIEESQSA-N 0 0 542.504 7.773 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000409033335 1070422996 /nfs/dbraw/zinc/42/29/96/1070422996.db2.gz LNLVZGJVOAEEES-GRSHGNNSSA-N 0 0 507.431 5.794 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409035907 1070435624 /nfs/dbraw/zinc/43/56/24/1070435624.db2.gz QYAPFNXONFLIJI-RQZCQDPDSA-N 0 0 550.911 7.128 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409041569 1070445244 /nfs/dbraw/zinc/44/52/44/1070445244.db2.gz APTSMTFMKYXXMF-WSVATBPTSA-N 0 0 610.220 7.955 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409044117 1070450961 /nfs/dbraw/zinc/45/09/61/1070450961.db2.gz NVWMPNKXQNPBRE-CHHVJCJISA-N 0 0 755.175 6.885 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409046514 1070457410 /nfs/dbraw/zinc/45/74/10/1070457410.db2.gz RKKUKDYJUOCIKV-NDENLUEZSA-N 0 0 542.891 7.574 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 ZINC000409047447 1070458811 /nfs/dbraw/zinc/45/88/11/1070458811.db2.gz MQAXXPXVFFFVIY-OQLLNIDSSA-N 0 0 584.282 6.372 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409047820 1070460281 /nfs/dbraw/zinc/46/02/81/1070460281.db2.gz PORLBAOCVYQZTR-RIYZIHGNSA-N 0 0 587.062 5.429 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409050307 1070464433 /nfs/dbraw/zinc/46/44/33/1070464433.db2.gz UFVSVSPAOAVGSV-OVCLIPMQSA-N 0 0 582.279 6.438 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409052219 1070468287 /nfs/dbraw/zinc/46/82/87/1070468287.db2.gz GUVVXACUGAIPJY-JLPGSUDCSA-N 0 0 563.448 5.911 40 10 KKCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1C ZINC000409056427 1070468678 /nfs/dbraw/zinc/46/86/78/1070468678.db2.gz MDSRSGZKMKGGRS-AWQFTUOYSA-N 0 0 564.252 7.162 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409056392 1070468750 /nfs/dbraw/zinc/46/87/50/1070468750.db2.gz RDTZXOGWDWZILU-UQQQWYQISA-N 0 0 528.605 5.465 40 10 KKCBRN O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409063840 1070478988 /nfs/dbraw/zinc/47/89/88/1070478988.db2.gz AHZDRMMNHLLWTO-UHFFFAOYSA-N 0 0 524.554 5.038 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409065937 1070482615 /nfs/dbraw/zinc/48/26/15/1070482615.db2.gz GKLVTCMYYDVKLG-HAHDFKILSA-N 0 0 513.465 6.964 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409068379 1070485490 /nfs/dbraw/zinc/48/54/90/1070485490.db2.gz RANDQTYFVPJYNJ-LQKURTRISA-N 0 0 574.450 6.668 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409083419 1070508410 /nfs/dbraw/zinc/50/84/10/1070508410.db2.gz OHZBLSSBYWIJGQ-DEYGKZMTSA-N 0 0 570.530 6.570 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000409089401 1070523228 /nfs/dbraw/zinc/52/32/28/1070523228.db2.gz IEXXQJFJPNAAPQ-UQQQWYQISA-N 0 0 571.446 7.400 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409089864 1070524012 /nfs/dbraw/zinc/52/40/12/1070524012.db2.gz KSOCUAZTJIWCIO-UHFFFAOYSA-N 0 0 744.298 7.197 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)cc1 ZINC000409095681 1070529323 /nfs/dbraw/zinc/52/93/23/1070529323.db2.gz IHEBSKMRAOYDOB-ZMOGYAJESA-N 0 0 524.042 6.130 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 ZINC000409100810 1070533659 /nfs/dbraw/zinc/53/36/59/1070533659.db2.gz WURXCOFTOVIBRI-WPWMEQJKSA-N 0 0 525.630 6.321 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409106555 1070540457 /nfs/dbraw/zinc/54/04/57/1070540457.db2.gz MPYOELIPENQZPT-YDZHTSKRSA-N 0 0 692.528 6.039 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409125877 1070553648 /nfs/dbraw/zinc/55/36/48/1070553648.db2.gz AHJWEEQVOOTCBO-QRQIAZFYSA-N 0 0 533.093 7.714 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409129770 1070556746 /nfs/dbraw/zinc/55/67/46/1070556746.db2.gz SKNLCAWVWIWPKJ-IWIPYMOSSA-N 0 0 503.421 7.251 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409132964 1070557899 /nfs/dbraw/zinc/55/78/99/1070557899.db2.gz YUDMBBXLYJLRAU-HZHRSRAPSA-N 0 0 542.442 6.368 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409136716 1070561211 /nfs/dbraw/zinc/56/12/11/1070561211.db2.gz URLDJBRIEIRQMM-QQXSKIMKSA-N 0 0 565.464 7.264 40 10 KKCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409138334 1070562341 /nfs/dbraw/zinc/56/23/41/1070562341.db2.gz ACRLSAPHIATWKE-JAIQZWGSSA-N 0 0 521.502 5.748 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149792 1070567872 /nfs/dbraw/zinc/56/78/72/1070567872.db2.gz QZFUCKRCNQXQQH-ZMOGYAJESA-N 0 0 504.677 5.714 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409150059 1070568377 /nfs/dbraw/zinc/56/83/77/1070568377.db2.gz ZGIVAOUQAXWJEU-BRJLIKDPSA-N 0 0 579.700 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(C)C ZINC000409145344 1070573312 /nfs/dbraw/zinc/57/33/12/1070573312.db2.gz NUIYNYVWUHFZOW-MTJSOVHGSA-N 0 0 505.061 5.628 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409146217 1070573818 /nfs/dbraw/zinc/57/38/18/1070573818.db2.gz RJGDYDMEYVWAHY-WSDLNYQXSA-N 0 0 685.392 7.040 40 10 KKCBRN COCCN1C(=O)[C@@H](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409145936 1070573875 /nfs/dbraw/zinc/57/38/75/1070573875.db2.gz SPWXARXUJQDUQU-GOSISDBHSA-N 0 0 500.867 5.099 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146908 1070574493 /nfs/dbraw/zinc/57/44/93/1070574493.db2.gz VNMMNKNWNKVNMU-BHGWPJFGSA-N 0 0 557.112 6.507 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154230 1070578234 /nfs/dbraw/zinc/57/82/34/1070578234.db2.gz OALHFKICHKWZCV-YTZAWJCFSA-N 0 0 610.173 8.933 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409152748 1070577232 /nfs/dbraw/zinc/57/72/32/1070577232.db2.gz BRGBCEZXZDNJLK-IPPBACCNSA-N 0 0 705.060 8.314 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409153244 1070577733 /nfs/dbraw/zinc/57/77/33/1070577733.db2.gz MFDURZHNQXPXKS-MZJWZYIUSA-N 0 0 614.551 7.102 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)ccc1Cl ZINC000409166231 1070584371 /nfs/dbraw/zinc/58/43/71/1070584371.db2.gz CTIGCULDNIDUIF-HZHRSRAPSA-N 0 0 542.057 5.572 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166751 1070584652 /nfs/dbraw/zinc/58/46/52/1070584652.db2.gz FOGSFZJLUFNTKU-WYEJZRMESA-N 0 0 565.722 8.823 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409175468 1070590510 /nfs/dbraw/zinc/59/05/10/1070590510.db2.gz ZKLDUQMFSVFLGN-IWIPYMOSSA-N 0 0 501.608 5.683 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176939 1070592132 /nfs/dbraw/zinc/59/21/32/1070592132.db2.gz BSVFQSXKGDVRNH-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409177872 1070593104 /nfs/dbraw/zinc/59/31/04/1070593104.db2.gz IMYXXLMZUUIRBM-UFFVCSGVSA-N 0 0 629.875 7.216 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)c1 ZINC000409178142 1070593597 /nfs/dbraw/zinc/59/35/97/1070593597.db2.gz JLVVEYPMIKLSMT-WSDLNYQXSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409180863 1070598013 /nfs/dbraw/zinc/59/80/13/1070598013.db2.gz SVKNWXRLHQINBE-GRSHGNNSSA-N 0 0 517.947 5.989 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182463 1070600153 /nfs/dbraw/zinc/60/01/53/1070600153.db2.gz LHWWYAXSDHUQBG-IDGDCODKSA-N 0 0 692.635 8.102 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185822 1070605528 /nfs/dbraw/zinc/60/55/28/1070605528.db2.gz QRRKNDFRKYHYCX-QYCJWQSUSA-N 0 0 759.797 7.697 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409196549 1070616624 /nfs/dbraw/zinc/61/66/24/1070616624.db2.gz WAFPZEWVJSEZDS-UXHLAJHPSA-N 0 0 653.632 6.804 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409203572 1070628787 /nfs/dbraw/zinc/62/87/87/1070628787.db2.gz XNORLXLVMBKFSZ-KSEXSDGBSA-N 0 0 580.688 5.630 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205763 1070632529 /nfs/dbraw/zinc/63/25/29/1070632529.db2.gz FNNOHXYBRKELNZ-RGVLZGJSSA-N 0 0 547.536 6.605 40 10 KKCBRN CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409225634 1070642961 /nfs/dbraw/zinc/64/29/61/1070642961.db2.gz RNKJDBQQSWAXRT-LPYMAVHISA-N 0 0 608.047 5.138 40 10 KKCBRN O=C(COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409223035 1070650227 /nfs/dbraw/zinc/65/02/27/1070650227.db2.gz GAALJMNYJOOAPV-UHFFFAOYSA-N 0 0 709.778 7.466 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409229959 1070645408 /nfs/dbraw/zinc/64/54/08/1070645408.db2.gz BBKVYRQEYGJLHO-OYKKKHCWSA-N 0 0 586.657 7.144 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409238296 1070654040 /nfs/dbraw/zinc/65/40/40/1070654040.db2.gz WSHKINHBYVLUQT-DICXZTSXSA-N 0 0 576.696 5.795 40 10 KKCBRN CC(C)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409231031 1070656669 /nfs/dbraw/zinc/65/66/69/1070656669.db2.gz AXKAJOFGNXBLEN-FXBPXSCXSA-N 0 0 560.322 6.383 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409233426 1070658353 /nfs/dbraw/zinc/65/83/53/1070658353.db2.gz KJMVLVZUGUFMLC-IUXPMGMMSA-N 0 0 588.876 5.110 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 ZINC000409234693 1070660740 /nfs/dbraw/zinc/66/07/40/1070660740.db2.gz XGXSBDBXTSHEOS-YDZHTSKRSA-N 0 0 521.570 5.085 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409235282 1070661253 /nfs/dbraw/zinc/66/12/53/1070661253.db2.gz ZJKZYEMPMFAADO-WGARJPEWSA-N 0 0 562.669 5.541 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409250061 1070667026 /nfs/dbraw/zinc/66/70/26/1070667026.db2.gz VXXSIURBWZYNOM-FMCGGJTJSA-N 0 0 572.586 5.853 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409242627 1070670643 /nfs/dbraw/zinc/67/06/43/1070670643.db2.gz RVGJUFFZCQYJDK-VYYCAZPPSA-N 0 0 576.696 5.850 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409249692 1070666235 /nfs/dbraw/zinc/66/62/35/1070666235.db2.gz KFXQKXDZYLJCBO-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409254534 1070672744 /nfs/dbraw/zinc/67/27/44/1070672744.db2.gz ZMUMTTBJVVAGKC-BKUYFWCQSA-N 0 0 543.439 6.012 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000409256810 1070676179 /nfs/dbraw/zinc/67/61/79/1070676179.db2.gz QCMFXKDIMQZSEM-FYJGNVAPSA-N 0 0 643.288 5.294 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409257844 1070678147 /nfs/dbraw/zinc/67/81/47/1070678147.db2.gz QOMGADJNWOFZHE-UUMRFZBWSA-N 0 0 533.071 5.136 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OCC)c2)SC1=S ZINC000409253029 1070685399 /nfs/dbraw/zinc/68/53/99/1070685399.db2.gz FVOGZCITKUVNHY-NDENLUEZSA-N 0 0 524.586 5.733 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409253166 1070685432 /nfs/dbraw/zinc/68/54/32/1070685432.db2.gz DXZWFGWZVITOEO-HMAPJEAMSA-N 0 0 543.041 6.301 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2OC)cc1 ZINC000409251175 1070681042 /nfs/dbraw/zinc/68/10/42/1070681042.db2.gz ORFXEHHJUKQVHC-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409265775 1070689741 /nfs/dbraw/zinc/68/97/41/1070689741.db2.gz OZXBODXVEKYGRZ-JJFYIABZSA-N 0 0 529.039 5.669 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409252595 1070683688 /nfs/dbraw/zinc/68/36/88/1070683688.db2.gz STZUTCURDJBYTM-UCQKPKSFSA-N 0 0 573.523 7.124 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409265915 1070689850 /nfs/dbraw/zinc/68/98/50/1070689850.db2.gz UZZUGHCFXMRDAR-MTJSOVHGSA-N 0 0 532.540 6.268 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409252282 1070683887 /nfs/dbraw/zinc/68/38/87/1070683887.db2.gz RNERTKJXHAELFB-XKZIYDEJSA-N 0 0 529.014 5.911 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409268227 1070693528 /nfs/dbraw/zinc/69/35/28/1070693528.db2.gz ZVWRNXTUDQWPDD-BRLDDBHUSA-N 0 0 522.570 5.103 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409263731 1070700710 /nfs/dbraw/zinc/70/07/10/1070700710.db2.gz MIKJGSGEVBPRGW-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409260919 1070696415 /nfs/dbraw/zinc/69/64/15/1070696415.db2.gz YMBOTQWTGJEUSL-IWIPYMOSSA-N 0 0 538.622 5.656 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409262771 1070699150 /nfs/dbraw/zinc/69/91/50/1070699150.db2.gz HBMQKFDDORUAJS-ZBKNUEDVSA-N 0 0 519.431 6.005 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409269703 1070704231 /nfs/dbraw/zinc/70/42/31/1070704231.db2.gz LWEFJDPBMZZFDH-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409270682 1070706894 /nfs/dbraw/zinc/70/68/94/1070706894.db2.gz HBKDZIFWMURPDU-UYRXBGFRSA-N 0 0 535.485 5.477 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409270965 1070707405 /nfs/dbraw/zinc/70/74/05/1070707405.db2.gz SGUOBVFJPLGONK-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409272037 1070709366 /nfs/dbraw/zinc/70/93/66/1070709366.db2.gz XWHOCHTXHCWPBW-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408881135 1070784100 /nfs/dbraw/zinc/78/41/00/1070784100.db2.gz JTAYLLRXLAUZOP-UHFFFAOYSA-N 0 0 567.041 7.128 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408879817 1070791787 /nfs/dbraw/zinc/79/17/87/1070791787.db2.gz GXJGSAIFQKEUJA-UDWIEESQSA-N 0 0 633.282 5.481 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408878215 1070800809 /nfs/dbraw/zinc/80/08/09/1070800809.db2.gz YHSFFUXKDBEUAX-UHFFFAOYSA-N 0 0 664.952 7.292 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408879212 1070795582 /nfs/dbraw/zinc/79/55/82/1070795582.db2.gz BHSHSFMXLKKBJX-IWIPYMOSSA-N 0 0 521.411 5.742 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408877300 1070808757 /nfs/dbraw/zinc/80/87/57/1070808757.db2.gz VDLDXTJIBJZOPK-UHFFFAOYSA-N 0 0 724.620 8.479 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409327116 1070827501 /nfs/dbraw/zinc/82/75/01/1070827501.db2.gz IDWDTCOEUFNEGF-MKMNVTDBSA-N 0 0 535.666 5.985 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1Cl ZINC000409327954 1070829023 /nfs/dbraw/zinc/82/90/23/1070829023.db2.gz OCTAFKHSQMQLEA-VXLYETTFSA-N 0 0 507.376 6.576 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409328671 1070829863 /nfs/dbraw/zinc/82/98/63/1070829863.db2.gz ZRZCHEOEBZTGGZ-XKZIYDEJSA-N 0 0 544.467 6.890 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409329146 1070830736 /nfs/dbraw/zinc/83/07/36/1070830736.db2.gz DABFLBXJMONXCB-FOKLQQMPSA-N 0 0 556.471 7.132 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409329452 1070830989 /nfs/dbraw/zinc/83/09/89/1070830989.db2.gz FSLUUEAAHPUZID-CIAFOILYSA-N 0 0 670.242 7.968 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409329605 1070831674 /nfs/dbraw/zinc/83/16/74/1070831674.db2.gz GDBLPABYYVYPGT-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409329577 1070831946 /nfs/dbraw/zinc/83/19/46/1070831946.db2.gz GEORWJICGFXRRF-KIBLKLHPSA-N 0 0 505.661 6.298 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409330338 1070833449 /nfs/dbraw/zinc/83/34/49/1070833449.db2.gz KVVGBWMEHHFMHU-UKWGHVSLSA-N 0 0 649.388 8.593 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409331765 1070835638 /nfs/dbraw/zinc/83/56/38/1070835638.db2.gz OYONBUGWPZPDPW-FBHDLOMBSA-N 0 0 527.511 5.849 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000409331675 1070835784 /nfs/dbraw/zinc/83/57/84/1070835784.db2.gz OWUNKRWFVDVYRP-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332890 1070837441 /nfs/dbraw/zinc/83/74/41/1070837441.db2.gz SDDCKFKDMHBELJ-UCQKPKSFSA-N 0 0 585.501 7.049 40 10 KKCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409332826 1070837539 /nfs/dbraw/zinc/83/75/39/1070837539.db2.gz RNHJTUPFOGFMDN-CIAFOILYSA-N 0 0 559.894 6.526 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1 ZINC000409332882 1070837634 /nfs/dbraw/zinc/83/76/34/1070837634.db2.gz SBOSNFNMRYZIKG-BKUYFWCQSA-N 0 0 685.346 6.889 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333171 1070837757 /nfs/dbraw/zinc/83/77/57/1070837757.db2.gz CNOFDVKRDUYVJX-SXDGJLEOSA-N 0 0 520.676 5.817 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334148 1070840114 /nfs/dbraw/zinc/84/01/14/1070840114.db2.gz UMYFRTUQVRCPAT-AWQFTUOYSA-N 0 0 709.106 9.266 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409334236 1070840622 /nfs/dbraw/zinc/84/06/22/1070840622.db2.gz WHYRPVMNGNRZRG-MTJSOVHGSA-N 0 0 561.866 6.996 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1Cl ZINC000409334429 1070840712 /nfs/dbraw/zinc/84/07/12/1070840712.db2.gz XTETUYIUNJIKGX-SRZZPIQSSA-N 0 0 500.985 6.539 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408895963 1070840812 /nfs/dbraw/zinc/84/08/12/1070840812.db2.gz MHXGXGZPYUHXFJ-UHFFFAOYSA-N 0 0 615.455 7.149 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409326333 1070844326 /nfs/dbraw/zinc/84/43/26/1070844326.db2.gz AJTXBOLGEAJZNB-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409340297 1070845649 /nfs/dbraw/zinc/84/56/49/1070845649.db2.gz UINYGSNUHDFLSD-VEILYXNESA-N 0 0 554.693 6.970 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409340280 1070845973 /nfs/dbraw/zinc/84/59/73/1070845973.db2.gz TZSRVLPMPIWDQJ-RGVLZGJSSA-N 0 0 558.391 6.464 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408895523 1070846174 /nfs/dbraw/zinc/84/61/74/1070846174.db2.gz LAAOOTPZUQKYFX-UHFFFAOYSA-N 0 0 536.559 6.387 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409340591 1070846374 /nfs/dbraw/zinc/84/63/74/1070846374.db2.gz ZUMOBZNPYCBOKV-WSDLNYQXSA-N 0 0 578.912 7.625 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409341242 1070847750 /nfs/dbraw/zinc/84/77/50/1070847750.db2.gz ANFAZFPLWFCPMX-YDZHTSKRSA-N 0 0 617.568 7.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409342095 1070849225 /nfs/dbraw/zinc/84/92/25/1070849225.db2.gz BWOCNJXKBSZNNB-IUXPMGMMSA-N 0 0 621.756 6.221 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335890 1070856483 /nfs/dbraw/zinc/85/64/83/1070856483.db2.gz ZKVGECLUPDBMOY-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408893996 1070859007 /nfs/dbraw/zinc/85/90/07/1070859007.db2.gz HXFWMAIXOHPVEZ-UHFFFAOYSA-N 0 0 568.698 7.784 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409347002 1070863966 /nfs/dbraw/zinc/86/39/66/1070863966.db2.gz PIDILJMSRONKPB-MYYYXRDXSA-N 0 0 643.955 8.091 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409338006 1070860180 /nfs/dbraw/zinc/86/01/80/1070860180.db2.gz BEWHLBLOBXZNRS-FSJBWODESA-N 0 0 560.922 7.404 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)SC2=S)cc1 ZINC000409338753 1070861370 /nfs/dbraw/zinc/86/13/70/1070861370.db2.gz AGCRXIQWMSTVRB-BUVRLJJBSA-N 0 0 662.527 6.982 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S)c1ccc(Cl)cc1 ZINC000409339040 1070861714 /nfs/dbraw/zinc/86/17/14/1070861714.db2.gz DOKZDWAUAWAPKO-MTJSOVHGSA-N 0 0 577.884 6.367 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409339419 1070862737 /nfs/dbraw/zinc/86/27/37/1070862737.db2.gz VIOCXRPPQLNQHC-OEAKJJBVSA-N 0 0 559.938 7.153 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409346712 1070863016 /nfs/dbraw/zinc/86/30/16/1070863016.db2.gz OFPRDHAEQMCNNA-LZYBPNLTSA-N 0 0 607.276 5.927 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409348964 1070866202 /nfs/dbraw/zinc/86/62/02/1070866202.db2.gz UGAICLWOJXCMKV-LDADJPATSA-N 0 0 540.448 5.170 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409349280 1070866652 /nfs/dbraw/zinc/86/66/52/1070866652.db2.gz VHPUMEJTEQUPPE-LSFURLLWSA-N 0 0 516.427 6.707 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408893027 1070869651 /nfs/dbraw/zinc/86/96/51/1070869651.db2.gz DTJIPZDXSRULJV-UHFFFAOYSA-N 0 0 581.068 7.518 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O ZINC000409352664 1070871056 /nfs/dbraw/zinc/87/10/56/1070871056.db2.gz XTAVIIDWUADJKE-OQLLNIDSSA-N 0 0 515.248 5.722 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408891894 1070874586 /nfs/dbraw/zinc/87/45/86/1070874586.db2.gz DXRDLTZSDHDSIK-ACAGNQJTSA-N 0 0 511.155 5.362 40 10 KKCBRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1 ZINC000409362246 1070878436 /nfs/dbraw/zinc/87/84/36/1070878436.db2.gz SXCVMWRFCKRHOF-NTMZXPBYSA-N 0 0 513.627 5.761 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408890302 1070883267 /nfs/dbraw/zinc/88/32/67/1070883267.db2.gz RBTILOHDVKQERX-UHFFFAOYSA-N 0 0 648.428 6.601 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409367811 1070890730 /nfs/dbraw/zinc/89/07/30/1070890730.db2.gz HAWPLOQEOQZOKE-UFFVCSGVSA-N 0 0 643.799 7.926 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S ZINC000409367809 1070890955 /nfs/dbraw/zinc/89/09/55/1070890955.db2.gz GYXYKDFMUUBDPS-SRZZPIQSSA-N 0 0 609.354 7.273 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408905611 1070898990 /nfs/dbraw/zinc/89/89/90/1070898990.db2.gz BQSFUAGQOOBGID-RDRPBHBLSA-N 0 0 651.568 7.163 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408906807 1070893930 /nfs/dbraw/zinc/89/39/30/1070893930.db2.gz KQCITRVJGDETBQ-AFUMVMLFSA-N 0 0 596.467 5.725 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905693 1070899387 /nfs/dbraw/zinc/89/93/87/1070899387.db2.gz CLRWUDIMYVVJGR-UXHLAJHPSA-N 0 0 651.568 7.163 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(OCC)c1 ZINC000409372379 1070895201 /nfs/dbraw/zinc/89/52/01/1070895201.db2.gz LCZCKFJZOSPTOA-GIJQJNRQSA-N 0 0 512.440 5.729 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408904791 1070900682 /nfs/dbraw/zinc/90/06/82/1070900682.db2.gz ORFNYMFOONFBLL-HYARGMPZSA-N 0 0 534.410 5.671 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408904450 1070900779 /nfs/dbraw/zinc/90/07/79/1070900779.db2.gz JPFQFQAFKXHZIX-HYARGMPZSA-N 0 0 581.410 5.514 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408903496 1070904033 /nfs/dbraw/zinc/90/40/33/1070904033.db2.gz YRACDIMTMFMFHX-WPWMEQJKSA-N 0 0 531.102 7.732 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408903311 1070904904 /nfs/dbraw/zinc/90/49/04/1070904904.db2.gz XELOMUIENXSKGF-FYJGNVAPSA-N 0 0 604.447 6.193 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409379148 1070905192 /nfs/dbraw/zinc/90/51/92/1070905192.db2.gz UUZTYPUHPUNKJZ-PKAZHMFMSA-N 0 0 527.690 6.013 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408903175 1070905400 /nfs/dbraw/zinc/90/54/00/1070905400.db2.gz VDBVOLQNOYBUPN-WSDLNYQXSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408902995 1070905999 /nfs/dbraw/zinc/90/59/99/1070905999.db2.gz TYUVHZAFSFTFEM-WSDLNYQXSA-N 0 0 546.895 7.096 40 10 KKCBRN O=C1/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000408902760 1070909060 /nfs/dbraw/zinc/90/90/60/1070909060.db2.gz RCDSZUDOJVQAHL-ANYBSYGZSA-N 0 0 549.120 8.871 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408902765 1070909222 /nfs/dbraw/zinc/90/92/22/1070909222.db2.gz RDUKDQSJIJSWGY-RGVLZGJSSA-N 0 0 654.673 6.934 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408902781 1070909233 /nfs/dbraw/zinc/90/92/33/1070909233.db2.gz RHQLBGZLZYBGFE-PXLXIMEGSA-N 0 0 616.502 6.113 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902467 1070911363 /nfs/dbraw/zinc/91/13/63/1070911363.db2.gz ODGFLRHUVZTIPG-VXLYETTFSA-N 0 0 546.248 7.150 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408902487 1070911797 /nfs/dbraw/zinc/91/17/97/1070911797.db2.gz OKYDBFITCDFOSK-RGVLZGJSSA-N 0 0 526.774 6.396 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902329 1070912367 /nfs/dbraw/zinc/91/23/67/1070912367.db2.gz NBIRXJPDHADVDY-FYJGNVAPSA-N 0 0 547.414 6.415 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408902295 1070912414 /nfs/dbraw/zinc/91/24/14/1070912414.db2.gz MUVOYNRXMRPPEC-RGVLZGJSSA-N 0 0 605.124 7.359 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902315 1070912448 /nfs/dbraw/zinc/91/24/48/1070912448.db2.gz MXRIAGUARPAQHB-HYARGMPZSA-N 0 0 618.474 6.583 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408902135 1070913277 /nfs/dbraw/zinc/91/32/77/1070913277.db2.gz KROCKXLNSRCNGY-ZVHZXABRSA-N 0 0 623.288 7.592 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902177 1070913942 /nfs/dbraw/zinc/91/39/42/1070913942.db2.gz LKSPXRLCFKNOCI-CIAFOILYSA-N 0 0 522.355 5.751 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408901998 1070914711 /nfs/dbraw/zinc/91/47/11/1070914711.db2.gz JRLDSEMHUJBQME-RGVLZGJSSA-N 0 0 618.225 6.347 40 10 KKCBRN Cc1c(Br)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408901965 1070914750 /nfs/dbraw/zinc/91/47/50/1070914750.db2.gz JJHIRUZRLQQJSL-XDHOZWIPSA-N 0 0 548.325 7.025 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000408902230 1070914768 /nfs/dbraw/zinc/91/47/68/1070914768.db2.gz MHFRTOBEMOWPPJ-FYJGNVAPSA-N 0 0 573.228 6.439 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408901821 1070916101 /nfs/dbraw/zinc/91/61/01/1070916101.db2.gz HLUFVIPYRLQBAN-YBFXNURJSA-N 0 0 546.248 7.150 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000408901460 1070921116 /nfs/dbraw/zinc/92/11/16/1070921116.db2.gz FJRRWHQOFLBPEP-UDWIEESQSA-N 0 0 573.228 6.439 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408901440 1070921212 /nfs/dbraw/zinc/92/12/12/1070921212.db2.gz FEYOVGRNSANHCG-CIAFOILYSA-N 0 0 603.254 6.447 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408901265 1070921915 /nfs/dbraw/zinc/92/19/15/1070921915.db2.gz CTOUYTDKPZOFCR-CIAFOILYSA-N 0 0 522.355 5.751 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408901196 1070925861 /nfs/dbraw/zinc/92/58/61/1070925861.db2.gz BYIOTJOBWQLISR-FYJGNVAPSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408898510 1070955987 /nfs/dbraw/zinc/95/59/87/1070955987.db2.gz LYPCESQCLBRCDW-UHFFFAOYSA-N 0 0 708.530 6.349 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000408898054 1070960802 /nfs/dbraw/zinc/96/08/02/1070960802.db2.gz JWTYIPQVQHUXGE-UHFFFAOYSA-N 0 0 522.532 5.997 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408909405 1070976681 /nfs/dbraw/zinc/97/66/81/1070976681.db2.gz UFAKCFMSKBYPAQ-MTDXEUNCSA-N 0 0 651.568 7.163 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408907358 1070990511 /nfs/dbraw/zinc/99/05/11/1070990511.db2.gz MJSJJSULGACTNV-WPWMEQJKSA-N 0 0 716.039 7.825 40 10 KKCBRN Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000585266556 1071003420 /nfs/dbraw/zinc/00/34/20/1071003420.db2.gz FCDUSUQDGCDHNN-NDEPHWFRSA-N 0 0 557.094 5.949 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408915853 1071004756 /nfs/dbraw/zinc/00/47/56/1071004756.db2.gz RANDPXCDPZXNAB-CBPRFPNYSA-N 0 0 637.783 5.581 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)NC1=S ZINC000408913001 1071020783 /nfs/dbraw/zinc/02/07/83/1071020783.db2.gz JLSKWPNTCCDGMG-RQZCQDPDSA-N 0 0 515.816 5.091 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3cccc([C@@H]4OC[C@@H](c5ccccc5Cl)C[C@H]4C(C)C)c3)CC2)cc1 ZINC000585295442 1071044569 /nfs/dbraw/zinc/04/45/69/1071044569.db2.gz ZLIXIJQNHBZGGT-DYMXRVJRSA-N 0 0 563.138 6.594 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408910535 1071068576 /nfs/dbraw/zinc/06/85/76/1071068576.db2.gz XAXINQFIOVIBFZ-STBIYBPSSA-N 0 0 686.013 7.817 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408926310 1071074739 /nfs/dbraw/zinc/07/47/39/1071074739.db2.gz MLJAANPLFJPSMF-DAIZXWHWSA-N 0 0 605.760 6.148 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408926301 1071074226 /nfs/dbraw/zinc/07/42/26/1071074226.db2.gz MHFQSXZMFAXFDG-ITNAUSPISA-N 0 0 567.755 6.109 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408925709 1071076938 /nfs/dbraw/zinc/07/69/38/1071076938.db2.gz SJQDCZAJBWFZGK-WQNUKSJVSA-N 0 0 610.176 6.109 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920545 1071102883 /nfs/dbraw/zinc/10/28/83/1071102883.db2.gz JXZCHACBWVGMMA-FZEVDNDPSA-N 0 0 709.606 5.628 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408919739 1071116236 /nfs/dbraw/zinc/11/62/36/1071116236.db2.gz BUVFDFJNAIEFLT-FVUNBJOLSA-N 0 0 707.678 7.022 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408919428 1071120764 /nfs/dbraw/zinc/12/07/64/1071120764.db2.gz XSISDXOMDPSDRR-MTJSOVHGSA-N 0 0 559.385 5.843 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)c(C)c1 ZINC000408930003 1071164188 /nfs/dbraw/zinc/16/41/88/1071164188.db2.gz QRDXJSDMCFRZEM-AFUMVMLFSA-N 0 0 531.634 5.481 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934075 1071200436 /nfs/dbraw/zinc/20/04/36/1071200436.db2.gz LBXNSYPYPMIMGF-MNSGKFKFSA-N 0 0 599.753 5.346 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)c1 ZINC000208694044 1071212365 /nfs/dbraw/zinc/21/23/65/1071212365.db2.gz PBIKTHDCIJZTNA-MTJSOVHGSA-N 0 0 593.337 7.644 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c1 ZINC000208696884 1071212403 /nfs/dbraw/zinc/21/24/03/1071212403.db2.gz QAIBQFFHDPMGKY-MTJSOVHGSA-N 0 0 593.337 7.644 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408935697 1071219113 /nfs/dbraw/zinc/21/91/13/1071219113.db2.gz DLJVMDVOMYLDHL-YDZHTSKRSA-N 0 0 533.422 6.095 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934239 1071235583 /nfs/dbraw/zinc/23/55/83/1071235583.db2.gz BNZLYRABIBJZFC-BNUCFEHPSA-N 0 0 730.714 7.879 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933541 1071240663 /nfs/dbraw/zinc/24/06/63/1071240663.db2.gz BGJWVNLPTDCQRU-NFYDWNOTSA-N 0 0 626.960 5.240 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)cc4)c(=O)n32)cc1OCC ZINC000408944568 1071257879 /nfs/dbraw/zinc/25/78/79/1071257879.db2.gz MVFLOHCOFXLVHR-AJXYAIDJSA-N 0 0 676.235 5.894 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408943714 1071289615 /nfs/dbraw/zinc/28/96/15/1071289615.db2.gz LWAAYEUBMBMCLM-NFYDWNOTSA-N 0 0 673.960 5.082 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)cc4Cl)c(=O)n32)cc1OCC ZINC000408943616 1071291493 /nfs/dbraw/zinc/29/14/93/1071291493.db2.gz LRAMVHZFILCGKY-IHVNLHDWSA-N 0 0 710.680 6.548 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408943360 1071293398 /nfs/dbraw/zinc/29/33/98/1071293398.db2.gz SBLVEIAWEZBHBZ-CIAFOILYSA-N 0 0 539.813 6.132 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Br)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408941771 1071306414 /nfs/dbraw/zinc/30/64/14/1071306414.db2.gz KHNZVYYKXZUHOL-RVKRRNEASA-N 0 0 742.692 6.565 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408939229 1071324775 /nfs/dbraw/zinc/32/47/75/1071324775.db2.gz IFRCFTYCAAXOJL-LRAMOIDDSA-N 0 0 687.987 5.391 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1 ZINC000408938674 1071329125 /nfs/dbraw/zinc/32/91/25/1071329125.db2.gz RBWDTJFTQXZVJG-HYARGMPZSA-N 0 0 566.395 5.711 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n21 ZINC000408958792 1071401648 /nfs/dbraw/zinc/40/16/48/1071401648.db2.gz WTHPTZFBFBMUKG-AHDXEZHLSA-N 0 0 696.667 7.032 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 ZINC000408966355 1071410281 /nfs/dbraw/zinc/41/02/81/1071410281.db2.gz MAYMIKPFAKOYQX-UCQKPKSFSA-N 0 0 521.570 5.085 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408964156 1071419393 /nfs/dbraw/zinc/41/93/93/1071419393.db2.gz PUUJUPZLNOWTQW-MTJSOVHGSA-N 0 0 514.334 7.345 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408963496 1071422261 /nfs/dbraw/zinc/42/22/61/1071422261.db2.gz FBCSNRTZUKUIMJ-STZFKDTASA-N 0 0 511.456 5.921 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1ccccc1F ZINC000408973824 1071446267 /nfs/dbraw/zinc/44/62/67/1071446267.db2.gz VLRKWNZTYXHCOQ-WQRHYEAKSA-N 0 0 549.318 6.524 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1ccccc1Cl ZINC000408970931 1071453934 /nfs/dbraw/zinc/45/39/34/1071453934.db2.gz AWXTWXMPUYPADD-WQRHYEAKSA-N 0 0 565.773 7.039 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c1 ZINC000408967956 1071462953 /nfs/dbraw/zinc/46/29/53/1071462953.db2.gz VZBDDBOIFVSSQK-UCQKPKSFSA-N 0 0 505.552 5.416 40 10 KKCBRN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987232 1071481643 /nfs/dbraw/zinc/48/16/43/1071481643.db2.gz AWSVREJLSPBDRW-UHFFFAOYSA-N 0 0 739.816 7.905 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408986183 1071493956 /nfs/dbraw/zinc/49/39/56/1071493956.db2.gz OJISHPBBUYUGIB-DTDQMKFYSA-N 0 0 635.742 5.154 40 10 KKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408985439 1071501206 /nfs/dbraw/zinc/50/12/06/1071501206.db2.gz MABCLXURHLRBJT-SZXQPVLSSA-N 0 0 503.598 7.547 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985181 1071501374 /nfs/dbraw/zinc/50/13/74/1071501374.db2.gz JXISSLJPVSDVJT-PKYOQBLNSA-N 0 0 650.595 5.376 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408984320 1071509595 /nfs/dbraw/zinc/50/95/95/1071509595.db2.gz MMVMYCZVBTULFR-QYJHSCKRSA-N 0 0 652.172 5.783 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727199 1071510761 /nfs/dbraw/zinc/51/07/61/1071510761.db2.gz QGXDUGFVRWVARF-DTDQMKFYSA-N 0 0 591.733 5.676 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)OC)cc4)C3=O)o2)cc1 ZINC000408984230 1071511612 /nfs/dbraw/zinc/51/16/12/1071511612.db2.gz FUJPTJJQSSGHGL-HKOYGPOVSA-N 0 0 505.526 5.991 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727132 1071514622 /nfs/dbraw/zinc/51/46/22/1071514622.db2.gz QBHRWXUYGYFYQM-URFJJRPFSA-N 0 0 577.706 5.368 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408726285 1071513568 /nfs/dbraw/zinc/51/35/68/1071513568.db2.gz KZIYALIDTLIVMK-STZFKDTASA-N 0 0 579.481 6.053 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000408727094 1071514115 /nfs/dbraw/zinc/51/41/15/1071514115.db2.gz OQQYOCTUXRGWFJ-UUYOSTAYSA-N 0 0 539.547 5.718 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408724675 1071524601 /nfs/dbraw/zinc/52/46/01/1071524601.db2.gz AWPMXVWOOAXDNZ-XQNWCSQWSA-N 0 0 604.128 5.036 40 10 KKCBRN COc1cc(Br)c(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408724496 1071525363 /nfs/dbraw/zinc/52/53/63/1071525363.db2.gz AONWXEJGBMDXQM-UHFFFAOYSA-N 0 0 551.462 5.831 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408724910 1071522956 /nfs/dbraw/zinc/52/29/56/1071522956.db2.gz DXKWOEQSIYHMTF-UHFFFAOYSA-N 0 0 611.492 7.237 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408982175 1071528522 /nfs/dbraw/zinc/52/85/22/1071528522.db2.gz IVJJOZLYONADJD-NBQDTTAVSA-N 0 0 599.753 5.230 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408982181 1071528554 /nfs/dbraw/zinc/52/85/54/1071528554.db2.gz IVWQUYNBKPSWQK-NBQDTTAVSA-N 0 0 599.753 5.230 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408981168 1071536827 /nfs/dbraw/zinc/53/68/27/1071536827.db2.gz ZYNYHASSWJEGPD-UHAPOFRNSA-N 0 0 618.759 5.607 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408979452 1071545289 /nfs/dbraw/zinc/54/52/89/1071545289.db2.gz CPDHRVYSYYBKEJ-ADUBFANXSA-N 0 0 633.770 5.669 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408979839 1071542624 /nfs/dbraw/zinc/54/26/24/1071542624.db2.gz SQLAPZVKCISEPG-ZSXMQSLNSA-N 0 0 676.795 5.475 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994809 1071555927 /nfs/dbraw/zinc/55/59/27/1071555927.db2.gz JKTKRRUALQNLPW-FHJMOKKUSA-N 0 0 583.779 5.504 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(I)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736224 1071557542 /nfs/dbraw/zinc/55/75/42/1071557542.db2.gz MMNAVGXVRNWFSB-SLSDLSHTSA-N 0 0 524.358 6.605 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408994256 1071558913 /nfs/dbraw/zinc/55/89/13/1071558913.db2.gz YPTWNOMBMOGFGI-UHFFFAOYSA-N 0 0 795.924 9.138 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408994124 1071559980 /nfs/dbraw/zinc/55/99/80/1071559980.db2.gz GIEBUYHNNRESIR-SXDGJLEOSA-N 0 0 539.122 6.770 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408993825 1071562223 /nfs/dbraw/zinc/56/22/23/1071562223.db2.gz XALXRHWJZCSCHB-UHFFFAOYSA-N 0 0 691.643 9.028 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408993288 1071566581 /nfs/dbraw/zinc/56/65/81/1071566581.db2.gz VLCWGFCOGRAOKF-UHFFFAOYSA-N 0 0 695.804 8.246 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408992763 1071569581 /nfs/dbraw/zinc/56/95/81/1071569581.db2.gz BRKOQCAIUCNMKO-OREGWCPLSA-N 0 0 593.092 7.480 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733865 1071570839 /nfs/dbraw/zinc/57/08/39/1071570839.db2.gz BNGANRQHERACOU-UNDLXJOSSA-N 0 0 620.171 5.657 40 10 KKCBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)N(c6ccc(C)c(C)c6)C(=S)N(c6ccc(C)c(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408992154 1071575639 /nfs/dbraw/zinc/57/56/39/1071575639.db2.gz QQHWTVGGSWYJLF-UHFFFAOYSA-N 0 0 783.957 9.898 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408992289 1071574238 /nfs/dbraw/zinc/57/42/38/1071574238.db2.gz RGLIWLXUMCRUKA-JMIUGGIZSA-N 0 0 585.113 6.750 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408990823 1071586865 /nfs/dbraw/zinc/58/68/65/1071586865.db2.gz WRYKIBCEADLHLF-PQNXSAFSSA-N 0 0 603.700 5.072 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408990415 1071590596 /nfs/dbraw/zinc/59/05/96/1071590596.db2.gz VRFHVMVGJKZZRY-PEPUGYCWSA-N 0 0 734.059 6.910 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408989333 1071597891 /nfs/dbraw/zinc/59/78/91/1071597891.db2.gz TYTFNIODBCVLSS-LHBBPENESA-N 0 0 663.752 5.089 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408989522 1071596981 /nfs/dbraw/zinc/59/69/81/1071596981.db2.gz HZIVYWZWHBVNTM-UHFFFAOYSA-N 0 0 596.071 5.176 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727915 1071598634 /nfs/dbraw/zinc/59/86/34/1071598634.db2.gz YWCLUNGDPGFXPG-ZWTGMXIPSA-N 0 0 646.596 6.674 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408727589 1071599894 /nfs/dbraw/zinc/59/98/94/1071599894.db2.gz UNGRJLTYQMAUGH-DJTCXORXSA-N 0 0 600.955 6.166 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408739448 1071603848 /nfs/dbraw/zinc/60/38/48/1071603848.db2.gz WHBSTEFSUUNFLA-RELWKKBWSA-N 0 0 555.453 7.980 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408988727 1071602056 /nfs/dbraw/zinc/60/20/56/1071602056.db2.gz FSEXWQYCMRUOOC-UHFFFAOYSA-N 0 0 640.768 7.931 40 10 KKCBRN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1 ZINC000408739681 1071602754 /nfs/dbraw/zinc/60/27/54/1071602754.db2.gz ZJKWVPKNAHRCHV-XMHGGMMESA-N 0 0 508.315 5.979 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408988211 1071607731 /nfs/dbraw/zinc/60/77/31/1071607731.db2.gz RJTWBTARMREQOA-CBPRFPNYSA-N 0 0 594.136 5.997 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408987656 1071610265 /nfs/dbraw/zinc/61/02/65/1071610265.db2.gz QSVBTXOCHQDJCB-MQCBVOCZSA-N 0 0 633.726 5.080 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1Cl ZINC000408738140 1071610365 /nfs/dbraw/zinc/61/03/65/1071610365.db2.gz QFNCLHZAPQSJLA-QGOAFFKASA-N 0 0 522.815 8.387 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408997122 1071615330 /nfs/dbraw/zinc/61/53/30/1071615330.db2.gz RHRYVWAVAPMQPM-DEDYPNTBSA-N 0 0 502.979 6.517 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409005911 1071627024 /nfs/dbraw/zinc/62/70/24/1071627024.db2.gz GLXHHNIEPGNHET-NNLKUIAGSA-N 0 0 739.938 8.936 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000409006983 1071623132 /nfs/dbraw/zinc/62/31/32/1071623132.db2.gz MHNPPLGMAJORLP-YVLHZVERSA-N 0 0 556.403 5.008 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409006690 1071624175 /nfs/dbraw/zinc/62/41/75/1071624175.db2.gz KOYVDTFOBKUPNG-UNOMPAQXSA-N 0 0 539.460 5.798 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741563 1071625047 /nfs/dbraw/zinc/62/50/47/1071625047.db2.gz QQAHJGNEPOCAKO-UHFFFAOYSA-N 0 0 520.658 5.908 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409006342 1071625142 /nfs/dbraw/zinc/62/51/42/1071625142.db2.gz ISHKJFHEWXOOIK-VFCFBJKWSA-N 0 0 591.689 6.078 40 10 KKCBRN CNc1c(I)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1I ZINC000408741595 1071625186 /nfs/dbraw/zinc/62/51/86/1071625186.db2.gz JZVXFLWJMZSSPH-VGOFMYFVSA-N 0 0 543.142 5.227 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408756900 1071635300 /nfs/dbraw/zinc/63/53/00/1071635300.db2.gz UQHYPNLJTYIAKE-ZRYJBNJPSA-N 0 0 604.688 5.251 40 10 KKCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408756881 1071635314 /nfs/dbraw/zinc/63/53/14/1071635314.db2.gz KDUBRLPOKFOYSR-WCMJOSRZSA-N 0 0 504.678 7.071 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409002746 1071639741 /nfs/dbraw/zinc/63/97/41/1071639741.db2.gz PQNSQTFUVIIENP-PKAZHMFMSA-N 0 0 510.590 5.507 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409002982 1071638083 /nfs/dbraw/zinc/63/80/83/1071638083.db2.gz XRNDWPQYKFPTQA-LLXISZFLSA-N 0 0 640.230 6.718 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409001890 1071643469 /nfs/dbraw/zinc/64/34/69/1071643469.db2.gz XKKWPOMKEMAFJL-PLNPHXOGSA-N 0 0 624.162 6.005 40 10 KKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409000828 1071647563 /nfs/dbraw/zinc/64/75/63/1071647563.db2.gz NFSVHEKGTDKUIT-VYKTZEHYSA-N 0 0 504.677 6.117 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409000304 1071650459 /nfs/dbraw/zinc/65/04/59/1071650459.db2.gz YKPOWVYMZDJZJR-DTDQMKFYSA-N 0 0 635.742 5.154 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408999791 1071652128 /nfs/dbraw/zinc/65/21/28/1071652128.db2.gz SJRITIINKMLZDW-VQMDLGMUSA-N 0 0 681.883 7.732 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409016830 1071665955 /nfs/dbraw/zinc/66/59/55/1071665955.db2.gz ACWYOTAFEXABCH-ASUJOLEISA-N 0 0 576.697 5.729 40 10 KKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000409016501 1071667787 /nfs/dbraw/zinc/66/77/87/1071667787.db2.gz CVFNASYNQQDVJC-MMTYYTLLSA-N 0 0 536.566 6.538 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409015735 1071670403 /nfs/dbraw/zinc/67/04/03/1071670403.db2.gz RZQNFHAPWLPRDO-UCQKPKSFSA-N 0 0 525.432 6.677 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=O ZINC000409014730 1071674543 /nfs/dbraw/zinc/67/45/43/1071674543.db2.gz YHLDYRXZXOYZEY-UYRXBGFRSA-N 0 0 561.841 5.872 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409013841 1071678259 /nfs/dbraw/zinc/67/82/59/1071678259.db2.gz WGEDANJWNJXTNW-UDWIEESQSA-N 0 0 602.858 5.680 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012570 1071683475 /nfs/dbraw/zinc/68/34/75/1071683475.db2.gz KKVBYYBZCRXETQ-PCLIKHOPSA-N 0 0 506.071 6.435 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011311 1071687272 /nfs/dbraw/zinc/68/72/72/1071687272.db2.gz HAQAXKPFQHSDKW-UDWIEESQSA-N 0 0 516.425 6.104 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011361 1071687893 /nfs/dbraw/zinc/68/78/93/1071687893.db2.gz GHCVUIRBIKHMAG-WGOQTCKBSA-N 0 0 736.457 8.170 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409011039 1071688894 /nfs/dbraw/zinc/68/88/94/1071688894.db2.gz FORMTKSMPQVLIW-IWIPYMOSSA-N 0 0 548.426 6.022 40 10 KKCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409008915 1071697729 /nfs/dbraw/zinc/69/77/29/1071697729.db2.gz AGBMJDGYQQHHLF-CIAFOILYSA-N 0 0 595.888 5.591 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409010160 1071692585 /nfs/dbraw/zinc/69/25/85/1071692585.db2.gz JVDNFLOWWNIKLV-MYYYXRDXSA-N 0 0 569.514 5.786 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000408761066 1071694172 /nfs/dbraw/zinc/69/41/72/1071694172.db2.gz HGBQPEVRIYNXMC-UDWIEESQSA-N 0 0 542.227 6.063 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409009799 1071694688 /nfs/dbraw/zinc/69/46/88/1071694688.db2.gz CBCRJDYTCZVEJQ-HMAPJEAMSA-N 0 0 542.886 6.074 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409009666 1071695161 /nfs/dbraw/zinc/69/51/61/1071695161.db2.gz BDQWASAMMQCCQZ-XYGWBWBKSA-N 0 0 535.040 5.680 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408760346 1071696823 /nfs/dbraw/zinc/69/68/23/1071696823.db2.gz XBDFHFYFRIENHZ-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409009097 1071697299 /nfs/dbraw/zinc/69/72/99/1071697299.db2.gz BHJFZAUNDRCJJC-YSMPRRRNSA-N 0 0 533.466 6.741 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409008793 1071698350 /nfs/dbraw/zinc/69/83/50/1071698350.db2.gz IDGULISUKADVRX-IWIPYMOSSA-N 0 0 519.439 6.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409007315 1071703353 /nfs/dbraw/zinc/70/33/53/1071703353.db2.gz PFOBXRGOXKQQKM-HMAPJEAMSA-N 0 0 575.493 6.643 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409007291 1071703398 /nfs/dbraw/zinc/70/33/98/1071703398.db2.gz NNHXOMIZZCXMRK-UHFFFAOYSA-N 0 0 591.689 6.160 40 10 KKCBRN CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408759557 1071700956 /nfs/dbraw/zinc/70/09/56/1071700956.db2.gz HBOIZEBEFKAFHK-KGENOOAVSA-N 0 0 536.882 7.218 40 10 KKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408758442 1071705031 /nfs/dbraw/zinc/70/50/31/1071705031.db2.gz KAWSAOARSYTWPE-VCHYOVAHSA-N 0 0 537.822 6.880 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409024919 1071710382 /nfs/dbraw/zinc/71/03/82/1071710382.db2.gz YWGDFDFHTGELBW-NBQDTTAVSA-N 0 0 706.659 5.852 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024924 1071710411 /nfs/dbraw/zinc/71/04/11/1071710411.db2.gz ZCLZOTPVOWTCGR-OBDCIHEFSA-N 0 0 604.172 5.956 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024866 1071710869 /nfs/dbraw/zinc/71/08/69/1071710869.db2.gz YMCKTQSHQUMWPR-IMUCPKNRSA-N 0 0 677.665 5.823 40 10 KKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408757384 1071713558 /nfs/dbraw/zinc/71/35/58/1071713558.db2.gz ZFXUHIMOJUXQPM-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022393 1071719784 /nfs/dbraw/zinc/71/97/84/1071719784.db2.gz MVQDJSZRHBKNSA-NULZLWRNSA-N 0 0 589.161 5.314 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408765903 1071721502 /nfs/dbraw/zinc/72/15/02/1071721502.db2.gz RMOPXVMUGHRQKN-BWAHOGKJSA-N 0 0 510.640 6.796 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409022021 1071720571 /nfs/dbraw/zinc/72/05/71/1071720571.db2.gz HXLSPAZYQXSRRJ-BUELQQIUSA-N 0 0 662.812 5.426 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408765885 1071721546 /nfs/dbraw/zinc/72/15/46/1071721546.db2.gz BQXKKYTZRIGOMP-ALUWMOPFSA-N 0 0 762.464 5.590 40 10 KKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408766639 1071718160 /nfs/dbraw/zinc/71/81/60/1071718160.db2.gz WEGSIQPNLSPEOG-PXLXIMEGSA-N 0 0 525.244 6.112 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409022326 1071719402 /nfs/dbraw/zinc/71/94/02/1071719402.db2.gz KATAGUBQEZHUFA-IMUCPKNRSA-N 0 0 599.753 5.312 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409021485 1071723124 /nfs/dbraw/zinc/72/31/24/1071723124.db2.gz JWTOEFWIIHKPHE-XSTKMXAKSA-N 0 0 679.637 5.052 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)OC)c5C)c4C)c(=O)n32)cc1 ZINC000409021475 1071723133 /nfs/dbraw/zinc/72/31/33/1071723133.db2.gz JNZWZTYLFZQLDX-IMUCPKNRSA-N 0 0 627.763 5.088 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409021484 1071723201 /nfs/dbraw/zinc/72/32/01/1071723201.db2.gz JWTOEFWIIHKPHE-GWRYVSOYSA-N 0 0 679.637 5.052 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409021121 1071724058 /nfs/dbraw/zinc/72/40/58/1071724058.db2.gz YDHPLJXPLPJLAT-RUMWWMSVSA-N 0 0 626.731 6.255 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(OC)c(O)c(Br)c2Br)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020716 1071725758 /nfs/dbraw/zinc/72/57/58/1071725758.db2.gz SJCPUORAMFJMHI-MDWZMJQESA-N 0 0 574.678 5.143 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409020239 1071727452 /nfs/dbraw/zinc/72/74/52/1071727452.db2.gz MZDFIQSALRBQGM-RDRPBHBLSA-N 0 0 637.541 6.855 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409019566 1071729524 /nfs/dbraw/zinc/72/95/24/1071729524.db2.gz UKVOQGMXESVMSB-ZTKZIYFRSA-N 0 0 596.734 7.107 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409018780 1071731272 /nfs/dbraw/zinc/73/12/72/1071731272.db2.gz UTYDQCIWZOFWNV-TVRVIFGSSA-N 0 0 740.676 6.209 40 10 KKCBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n21 ZINC000409018791 1071731297 /nfs/dbraw/zinc/73/12/97/1071731297.db2.gz UWVUWZIRJNYELG-TZUCAZQYSA-N 0 0 619.187 5.322 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409037109 1071738640 /nfs/dbraw/zinc/73/86/40/1071738640.db2.gz MZMBBJDCGLMREK-AWNIVKPZSA-N 0 0 634.168 7.431 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000409036835 1071740750 /nfs/dbraw/zinc/74/07/50/1071740750.db2.gz MEHDYLFHAKVAFM-OVCLIPMQSA-N 0 0 602.272 6.511 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409036557 1071742447 /nfs/dbraw/zinc/74/24/47/1071742447.db2.gz LPFSXHQLAWWFPN-PDGQHHTCSA-N 0 0 542.891 7.574 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035900 1071747515 /nfs/dbraw/zinc/74/75/15/1071747515.db2.gz QOIPIVHQXBPNOW-LMGFFNHESA-N 0 0 770.304 6.389 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)S2)cc1 ZINC000408776893 1071747523 /nfs/dbraw/zinc/74/75/23/1071747523.db2.gz RSSBHMHAIVPKJB-DDIUQFJASA-N 0 0 544.120 7.489 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000408775009 1071757555 /nfs/dbraw/zinc/75/75/55/1071757555.db2.gz FEJZHOLUYILEAV-IWIPYMOSSA-N 0 0 565.420 5.005 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409035134 1071753455 /nfs/dbraw/zinc/75/34/55/1071753455.db2.gz PJYBAXLXDBTSJI-AUWJEWJLSA-N 0 0 650.623 7.946 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000409034735 1071757559 /nfs/dbraw/zinc/75/75/59/1071757559.db2.gz NYLSUOVZYKFAEP-LCQSEVKBSA-N 0 0 598.165 5.095 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409034237 1071761315 /nfs/dbraw/zinc/76/13/15/1071761315.db2.gz MXNKJLGMJBTEKJ-LZYBPNLTSA-N 0 0 571.329 7.473 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408774058 1071762821 /nfs/dbraw/zinc/76/28/21/1071762821.db2.gz VLTDNYYCNZVBMI-RGXNXFOYSA-N 0 0 687.734 8.068 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409034386 1071759419 /nfs/dbraw/zinc/75/94/19/1071759419.db2.gz NQZVUZHJYVQNEI-VIZOYTHASA-N 0 0 601.753 7.192 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034185 1071763462 /nfs/dbraw/zinc/76/34/62/1071763462.db2.gz MRQKSBABQQUASG-ADVVJVSQSA-N 0 0 770.304 6.389 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)sc2=N1 ZINC000409034074 1071765076 /nfs/dbraw/zinc/76/50/76/1071765076.db2.gz GMKJQTTZIHFPAW-LAUBZIAYSA-N 0 0 539.701 5.329 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408773821 1071765255 /nfs/dbraw/zinc/76/52/55/1071765255.db2.gz SVDKYWUCVDWHIE-KQWNVCNZSA-N 0 0 551.426 6.278 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000409033749 1071767317 /nfs/dbraw/zinc/76/73/17/1071767317.db2.gz PJUWLNYSKSOFHI-MKMNVTDBSA-N 0 0 681.168 7.273 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033095 1071773182 /nfs/dbraw/zinc/77/31/82/1071773182.db2.gz KZORTIJSVPDKKB-HZHHUVPKSA-N 0 0 628.795 5.068 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772440 1071774474 /nfs/dbraw/zinc/77/44/74/1071774474.db2.gz LOXMYMRRJFTBME-YUMHPJSZSA-N 0 0 556.485 6.206 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000408769714 1071790220 /nfs/dbraw/zinc/79/02/20/1071790220.db2.gz ZYPROMBZFCQTKL-QJOMJCCJSA-N 0 0 568.592 6.045 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCC(C)C)c([N+](=O)[O-])c1 ZINC000409031026 1071791252 /nfs/dbraw/zinc/79/12/52/1071791252.db2.gz GIIFRMBKUYNKFZ-WCIBSUBMSA-N 0 0 548.262 5.894 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000409031471 1071787131 /nfs/dbraw/zinc/78/71/31/1071787131.db2.gz ATZGWNMEJXPNCA-MKMNVTDBSA-N 0 0 728.168 7.116 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409031513 1071787663 /nfs/dbraw/zinc/78/76/63/1071787663.db2.gz GYZOAWUBZKPONK-VIZOYTHASA-N 0 0 557.302 7.083 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCC ZINC000409031154 1071792655 /nfs/dbraw/zinc/79/26/55/1071792655.db2.gz JBTYSDBEZVVRJG-WDZFZDKYSA-N 0 0 519.264 5.748 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408769440 1071792855 /nfs/dbraw/zinc/79/28/55/1071792855.db2.gz VBABGTBANLQYRD-UHFFFAOYSA-N 0 0 523.592 7.036 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408769445 1071792902 /nfs/dbraw/zinc/79/29/02/1071792902.db2.gz VDBJOAOQSNEZQS-BDUOMTGHSA-N 0 0 542.592 5.058 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1cccc(Cl)c1 ZINC000409030822 1071794671 /nfs/dbraw/zinc/79/46/71/1071794671.db2.gz FQXMMMSWGJYAQA-CHHVJCJISA-N 0 0 744.623 7.630 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2OCC)cc1 ZINC000409029950 1071803135 /nfs/dbraw/zinc/80/31/35/1071803135.db2.gz DLBDLJGBCRCWAN-UNOMPAQXSA-N 0 0 574.502 6.343 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408781788 1071816245 /nfs/dbraw/zinc/81/62/45/1071816245.db2.gz DTPHFGQWVWYYLI-UHFFFAOYSA-N 0 0 546.627 5.514 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C)cc2)c(I)c1 ZINC000409038277 1071816400 /nfs/dbraw/zinc/81/64/00/1071816400.db2.gz OYXQFGGYUCUVDY-VIZOYTHASA-N 0 0 677.205 7.443 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037858 1071820633 /nfs/dbraw/zinc/82/06/33/1071820633.db2.gz OAAKSFQDSRTCKG-QPKMOXKASA-N 0 0 709.840 6.720 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)sc2=N1 ZINC000409045514 1071824941 /nfs/dbraw/zinc/82/49/41/1071824941.db2.gz PSXWWCUGYGSBPX-SELCLYCASA-N 0 0 650.628 6.530 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(C)c2)c(I)c1 ZINC000409045553 1071825118 /nfs/dbraw/zinc/82/51/18/1071825118.db2.gz PYIWAAMJGZVENR-VIZOYTHASA-N 0 0 677.205 7.443 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409046201 1071833204 /nfs/dbraw/zinc/83/32/04/1071833204.db2.gz JDCZAXRTENZQHH-VXLYETTFSA-N 0 0 503.288 5.517 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409046284 1071834115 /nfs/dbraw/zinc/83/41/15/1071834115.db2.gz JVMHNHAPTDFVOE-UHFFFAOYSA-N 0 0 701.198 8.681 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409045757 1071840168 /nfs/dbraw/zinc/84/01/68/1071840168.db2.gz HTBGKMCDWXFUIH-KEBDBYFISA-N 0 0 669.153 7.163 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409045460 1071841488 /nfs/dbraw/zinc/84/14/88/1071841488.db2.gz PPXQRGKKXNNVJP-OVCLIPMQSA-N 0 0 629.279 6.280 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408778057 1071839572 /nfs/dbraw/zinc/83/95/72/1071839572.db2.gz PNDZLPWTSBKRQB-XNENXQGPSA-N 0 0 619.812 6.373 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409045659 1071839657 /nfs/dbraw/zinc/83/96/57/1071839657.db2.gz GVBTXIURPFIDRZ-UHFFFAOYSA-N 0 0 612.296 8.463 40 10 KKCBRN CCOc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409045094 1071843509 /nfs/dbraw/zinc/84/35/09/1071843509.db2.gz HPZUYCBWAZPEKU-RUDMXATFSA-N 0 0 648.107 5.796 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409044862 1071846635 /nfs/dbraw/zinc/84/66/35/1071846635.db2.gz CXCKRXJLHGEBQD-UBKPWBPPSA-N 0 0 670.097 6.672 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408786434 1071851122 /nfs/dbraw/zinc/85/11/22/1071851122.db2.gz PWIXSGNNURRTGL-ZMTYCLHQSA-N 0 0 617.001 7.686 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409044237 1071851975 /nfs/dbraw/zinc/85/19/75/1071851975.db2.gz UTAZEUKYSHQESJ-UHFFFAOYSA-N 0 0 711.204 8.137 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408785246 1071858966 /nfs/dbraw/zinc/85/89/66/1071858966.db2.gz XMHJDUWZFAWMKI-UHFFFAOYSA-N 0 0 517.629 6.975 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(Br)cc2)c2ccccc12 ZINC000409043159 1071861363 /nfs/dbraw/zinc/86/13/63/1071861363.db2.gz ZUGXZTPHUMTMGF-UDWIEESQSA-N 0 0 603.410 8.396 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409042266 1071870922 /nfs/dbraw/zinc/87/09/22/1071870922.db2.gz MAOYZSSRQTWGBB-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OC(C)C ZINC000409042827 1071866766 /nfs/dbraw/zinc/86/67/66/1071866766.db2.gz XWXZAYROFSGVDZ-SDQBBNPISA-N 0 0 533.291 6.137 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)S2)cc1 ZINC000408783614 1071868920 /nfs/dbraw/zinc/86/89/20/1071868920.db2.gz NRULOKRQLDKNDA-XPCGLTFESA-N 0 0 529.447 5.861 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408783092 1071873605 /nfs/dbraw/zinc/87/36/05/1071873605.db2.gz MZFXOHGRDUCPQA-OYKKKHCWSA-N 0 0 521.411 5.742 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041152 1071883287 /nfs/dbraw/zinc/88/32/87/1071883287.db2.gz ZIRBBYIIIJVTPG-UHAPOFRNSA-N 0 0 627.807 6.125 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409041025 1071885014 /nfs/dbraw/zinc/88/50/14/1071885014.db2.gz ZRRAOOZTRPFQDS-UNOMPAQXSA-N 0 0 587.342 7.683 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409040359 1071889726 /nfs/dbraw/zinc/88/97/26/1071889726.db2.gz HVRMJIFXPAQVPS-RQZCQDPDSA-N 0 0 642.362 7.079 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408791362 1071890335 /nfs/dbraw/zinc/89/03/35/1071890335.db2.gz WOYMXBCPDHZIBJ-XKZIYDEJSA-N 0 0 511.405 6.287 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409040503 1071891338 /nfs/dbraw/zinc/89/13/38/1071891338.db2.gz YMLDNWMERBKSAM-PXNMLYILSA-N 0 0 673.332 6.679 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038830 1071904767 /nfs/dbraw/zinc/90/47/67/1071904767.db2.gz PQDXJUNJDVMPEQ-QPKMOXKASA-N 0 0 709.840 6.720 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408807014 1071902015 /nfs/dbraw/zinc/90/20/15/1071902015.db2.gz CMEUCWUHKCTRFO-UHFFFAOYSA-N 0 0 575.089 7.821 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409038708 1071906293 /nfs/dbraw/zinc/90/62/93/1071906293.db2.gz VMRHJLSHFDKTSK-GIDUJCDVSA-N 0 0 650.225 8.235 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408805124 1071908113 /nfs/dbraw/zinc/90/81/13/1071908113.db2.gz FBDDZFPLSCXKMZ-IKEWTAEESA-N 0 0 596.558 7.753 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000408804815 1071908850 /nfs/dbraw/zinc/90/88/50/1071908850.db2.gz BMGGWURURKAXPY-UHFFFAOYSA-N 0 0 548.857 6.424 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049470 1071913004 /nfs/dbraw/zinc/91/30/04/1071913004.db2.gz RAICLKZJXMCOQK-JBVGNYNVSA-N 0 0 685.843 5.454 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1 ZINC000409048886 1071914073 /nfs/dbraw/zinc/91/40/73/1071914073.db2.gz ULVWMUVLGLLPBN-UHFFFAOYSA-N 0 0 517.541 5.288 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409054383 1071916182 /nfs/dbraw/zinc/91/61/82/1071916182.db2.gz JHDCMINUJVPLRA-ONUIUJJFSA-N 0 0 512.606 5.765 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409054469 1071917342 /nfs/dbraw/zinc/91/73/42/1071917342.db2.gz GJHPADLGENFJFX-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409053270 1071941358 /nfs/dbraw/zinc/94/13/58/1071941358.db2.gz NWDGIPPSYRVUTD-QRVIBDJDSA-N 0 0 558.494 6.886 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409054028 1071936211 /nfs/dbraw/zinc/93/62/11/1071936211.db2.gz PZUKRZQDTQZUFB-KSEXSDGBSA-N 0 0 579.368 8.045 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000409053902 1071937663 /nfs/dbraw/zinc/93/76/63/1071937663.db2.gz DJYONWSKFPXOGT-PXNMLYILSA-N 0 0 513.276 5.930 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409053111 1071941880 /nfs/dbraw/zinc/94/18/80/1071941880.db2.gz KPCBIZNUJLKOIU-OYKKKHCWSA-N 0 0 544.525 7.681 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)cc2Cl)cc1 ZINC000409053137 1071941891 /nfs/dbraw/zinc/94/18/91/1071941891.db2.gz LDMUPAHOXZUPIZ-QRVIBDJDSA-N 0 0 514.499 7.591 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409053695 1071938128 /nfs/dbraw/zinc/93/81/28/1071938128.db2.gz HCBYAYKLMHTAJH-XYGWBWBKSA-N 0 0 500.595 5.293 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409051141 1071954167 /nfs/dbraw/zinc/95/41/67/1071954167.db2.gz APHBFCGCKLWFHM-FMCGGJTJSA-N 0 0 539.857 6.696 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409050724 1071955073 /nfs/dbraw/zinc/95/50/73/1071955073.db2.gz YZMMMKHTUMEGEY-GRSHGNNSSA-N 0 0 526.905 6.547 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409049641 1071963540 /nfs/dbraw/zinc/96/35/40/1071963540.db2.gz XMFYNHPIYKATEP-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409049354 1071965073 /nfs/dbraw/zinc/96/50/73/1071965073.db2.gz ZFDCWQUASSRMTL-UNOMPAQXSA-N 0 0 542.891 7.574 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409048681 1071968262 /nfs/dbraw/zinc/96/82/62/1071968262.db2.gz ULBNZJLUOCIHNM-UHFFFAOYSA-N 0 0 517.541 5.288 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409048689 1071968295 /nfs/dbraw/zinc/96/82/95/1071968295.db2.gz UOCCUOIUJHHRDR-GIJQJNRQSA-N 0 0 608.645 6.250 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2cccc(F)c2)cc1 ZINC000409047559 1071978775 /nfs/dbraw/zinc/97/87/75/1071978775.db2.gz UUVDSACHRSMION-QRVIBDJDSA-N 0 0 569.505 7.314 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409047999 1071974959 /nfs/dbraw/zinc/97/49/59/1071974959.db2.gz VOHZTMDPPUVROL-UCQKPKSFSA-N 0 0 551.515 7.175 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000409047886 1071976761 /nfs/dbraw/zinc/97/67/61/1071976761.db2.gz NOXKKZOGLFBKJC-NBQDTTAVSA-N 0 0 706.659 5.934 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409047533 1071978327 /nfs/dbraw/zinc/97/83/27/1071978327.db2.gz URMOZSUEYLIWGL-VIZOYTHASA-N 0 0 567.854 6.337 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409059380 1071980507 /nfs/dbraw/zinc/98/05/07/1071980507.db2.gz MSGAFWJUHKIECV-PFZTWQQOSA-N 0 0 557.760 5.692 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409058368 1071987624 /nfs/dbraw/zinc/98/76/24/1071987624.db2.gz ODCJELLSDYUDHY-QWYUUOJISA-N 0 0 555.103 5.128 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409058177 1071988160 /nfs/dbraw/zinc/98/81/60/1071988160.db2.gz RZFHNRFRQDZTCQ-UHFFFAOYSA-N 0 0 596.437 6.050 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409058453 1071988173 /nfs/dbraw/zinc/98/81/73/1071988173.db2.gz XVWIJBGKQLICPN-RMNLPTLGSA-N 0 0 557.760 5.611 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409065147 1071996562 /nfs/dbraw/zinc/99/65/62/1071996562.db2.gz DMIPNODWYWHNFD-QRVIBDJDSA-N 0 0 521.013 5.950 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409066675 1072001248 /nfs/dbraw/zinc/00/12/48/1072001248.db2.gz NRSMRWFVCLHHHF-YBFXNURJSA-N 0 0 610.711 6.439 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409062868 1072022530 /nfs/dbraw/zinc/02/25/30/1072022530.db2.gz CDHLSFXBTQWEPH-UPWSPCOFSA-N 0 0 576.118 5.176 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409063677 1072020279 /nfs/dbraw/zinc/02/02/79/1072020279.db2.gz AXXKXWLTJNKPBK-HAHDFKILSA-N 0 0 513.465 6.964 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409062384 1072025138 /nfs/dbraw/zinc/02/51/38/1072025138.db2.gz SUDOZQUGRDCBAB-WNFQYIGGSA-N 0 0 550.269 7.585 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409062152 1072025710 /nfs/dbraw/zinc/02/57/10/1072025710.db2.gz OMSZLGBRKXGMHJ-UNOMPAQXSA-N 0 0 545.850 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409061579 1072027843 /nfs/dbraw/zinc/02/78/43/1072027843.db2.gz FXMJVKRYADMYER-UCQKPKSFSA-N 0 0 538.522 5.777 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061232 1072030980 /nfs/dbraw/zinc/03/09/80/1072030980.db2.gz CBWNEXIPBUHGCK-XKZIYDEJSA-N 0 0 537.012 5.651 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409059899 1072037930 /nfs/dbraw/zinc/03/79/30/1072037930.db2.gz PCGMGBVVEVUUNV-BKUYFWCQSA-N 0 0 509.375 5.873 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409059678 1072038265 /nfs/dbraw/zinc/03/82/65/1072038265.db2.gz WRFFMTJTXTWZOI-UHFFFAOYSA-N 0 0 557.433 7.464 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409059683 1072038393 /nfs/dbraw/zinc/03/83/93/1072038393.db2.gz WUCPVCARQRVRDF-FYJGNVAPSA-N 0 0 501.391 5.876 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409059696 1072038686 /nfs/dbraw/zinc/03/86/86/1072038686.db2.gz XDHACSADWYLLLH-UHFFFAOYSA-N 0 0 632.308 7.374 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409077036 1072042767 /nfs/dbraw/zinc/04/27/67/1072042767.db2.gz CRYCHXJEAFKPGQ-WCEBZYJUSA-N 0 0 552.487 5.946 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409077121 1072043579 /nfs/dbraw/zinc/04/35/79/1072043579.db2.gz CXMGXOSBYRNIQS-QRQZCWQFSA-N 0 0 589.360 6.724 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076443 1072050365 /nfs/dbraw/zinc/05/03/65/1072050365.db2.gz BCXPZCCGPQLKCG-XYGWBWBKSA-N 0 0 578.293 8.169 40 10 KKCBRN O=C1C(=Cc2cccc(OS(=O)(=O)c3ccccc3)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409075858 1072055828 /nfs/dbraw/zinc/05/58/28/1072055828.db2.gz YPGFYDMFEVVITB-UHFFFAOYSA-N 0 0 524.554 5.038 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409074750 1072066819 /nfs/dbraw/zinc/06/68/19/1072066819.db2.gz VIKCCSWVKPLGMX-UHFFFAOYSA-N 0 0 558.999 5.691 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409071893 1072087496 /nfs/dbraw/zinc/08/74/96/1072087496.db2.gz QHKMRDZSEZQUIB-PUUMDJTNSA-N 0 0 552.675 5.003 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409069100 1072106824 /nfs/dbraw/zinc/10/68/24/1072106824.db2.gz LGOLIIQIPDBAFL-QFFYTCKUSA-N 0 0 543.733 5.302 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409069470 1072102597 /nfs/dbraw/zinc/10/25/97/1072102597.db2.gz JCGHLRFRAQTZBE-DEDYPNTBSA-N 0 0 527.396 5.032 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409067710 1072116169 /nfs/dbraw/zinc/11/61/69/1072116169.db2.gz YZJHLAPHHQEOLW-LFVJCYFKSA-N 0 0 640.543 6.844 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409067717 1072116174 /nfs/dbraw/zinc/11/61/74/1072116174.db2.gz ZCDWLNSRQVGPAK-PRLWALMFSA-N 0 0 576.118 5.258 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080930 1072119678 /nfs/dbraw/zinc/11/96/78/1072119678.db2.gz OOPABVYQWTVWPI-VCHYOVAHSA-N 0 0 513.293 6.408 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409080208 1072126917 /nfs/dbraw/zinc/12/69/17/1072126917.db2.gz MWJRNEANVYTNEO-FIJRTHIRSA-N 0 0 503.476 6.377 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079418 1072134523 /nfs/dbraw/zinc/13/45/23/1072134523.db2.gz FTNJUKBYKDIVFI-WSLMLHKMSA-N 0 0 587.330 6.310 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409079103 1072137710 /nfs/dbraw/zinc/13/77/10/1072137710.db2.gz JUIGYXJOIWTHSC-SOFYTKRASA-N 0 0 603.387 7.114 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409078568 1072144435 /nfs/dbraw/zinc/14/44/35/1072144435.db2.gz IILMFZZYYRKFKM-VEILYXNESA-N 0 0 549.457 8.560 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409078135 1072149092 /nfs/dbraw/zinc/14/90/92/1072149092.db2.gz GSQCKMWBLBQDLU-CRCYZHLCSA-N 0 0 685.438 5.739 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087186 1072159054 /nfs/dbraw/zinc/15/90/54/1072159054.db2.gz GVHGHMXGHNCKMY-YBFXNURJSA-N 0 0 614.352 6.105 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409086924 1072162138 /nfs/dbraw/zinc/16/21/38/1072162138.db2.gz SBGRBKNCTBYTHS-UZQMFHLOSA-N 0 0 520.470 5.417 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086671 1072162784 /nfs/dbraw/zinc/16/27/84/1072162784.db2.gz RMAAMDYXGCZMKL-UHFFFAOYSA-N 0 0 706.405 6.492 40 10 KKCBRN O=C1C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409086470 1072167465 /nfs/dbraw/zinc/16/74/65/1072167465.db2.gz ZRFRJYFUXVMTIR-UHFFFAOYSA-N 0 0 550.483 5.879 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409086323 1072169274 /nfs/dbraw/zinc/16/92/74/1072169274.db2.gz ZBUVENFIWNMBST-UHFFFAOYSA-N 0 0 708.275 7.404 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086008 1072172018 /nfs/dbraw/zinc/17/20/18/1072172018.db2.gz XXCKVAWJXXVXSW-YBFXNURJSA-N 0 0 545.901 7.264 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083926 1072195044 /nfs/dbraw/zinc/19/50/44/1072195044.db2.gz LVOCRIRXEOAGGQ-ZTJHJZSNSA-N 0 0 776.491 5.980 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083553 1072200678 /nfs/dbraw/zinc/20/06/78/1072200678.db2.gz VISUXPKNNMBEID-HAHDFKILSA-N 0 0 517.387 7.546 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409082950 1072206709 /nfs/dbraw/zinc/20/67/09/1072206709.db2.gz RMNGQAIUMLGNQO-SOFYTKRASA-N 0 0 650.387 6.956 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000409083156 1072202524 /nfs/dbraw/zinc/20/25/24/1072202524.db2.gz KPDQVKNHXRWBGY-VFAFIFLJSA-N 0 0 504.471 5.717 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409082721 1072207191 /nfs/dbraw/zinc/20/71/91/1072207191.db2.gz SNRDUHXBAZOTQP-WSLMLHKMSA-N 0 0 742.236 6.618 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409082947 1072206640 /nfs/dbraw/zinc/20/66/40/1072206640.db2.gz RMNGQAIUMLGNQO-HQOKVJKCSA-N 0 0 650.387 6.956 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409082493 1072211480 /nfs/dbraw/zinc/21/14/80/1072211480.db2.gz JIMUDAWWSAGIRQ-LELXDKESSA-N 0 0 612.467 5.167 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409081626 1072221703 /nfs/dbraw/zinc/22/17/03/1072221703.db2.gz QOUHOIAOYMVFBT-UHFFFAOYSA-N 0 0 629.379 6.641 40 10 KKCBRN CCOC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409097117 1072230599 /nfs/dbraw/zinc/23/05/99/1072230599.db2.gz LNYKJFLODAMMOL-SYXCRGJESA-N 0 0 550.633 5.814 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)cc1 ZINC000409097147 1072230623 /nfs/dbraw/zinc/23/06/23/1072230623.db2.gz LPQKOFJZGGICKS-UXHLAJHPSA-N 0 0 616.139 7.400 40 10 KKCBRN CCCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409096924 1072230986 /nfs/dbraw/zinc/23/09/86/1072230986.db2.gz MLZKPMODAMSRPS-JJIBRWJFSA-N 0 0 506.624 6.663 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409096518 1072233768 /nfs/dbraw/zinc/23/37/68/1072233768.db2.gz LHBWAGUIIQKKTM-OVVQPSECSA-N 0 0 607.736 6.127 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409095711 1072237604 /nfs/dbraw/zinc/23/76/04/1072237604.db2.gz ILGALEJXGZKYJD-OEAKJJBVSA-N 0 0 601.519 7.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409327129 1072241407 /nfs/dbraw/zinc/24/14/07/1072241407.db2.gz IGNFORMTASFNCC-WGARJPEWSA-N 0 0 552.504 8.140 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409094869 1072242865 /nfs/dbraw/zinc/24/28/65/1072242865.db2.gz GEIGZFUDOUOZRI-MAKYVFJGSA-N 0 0 594.781 5.256 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 ZINC000409327017 1072243115 /nfs/dbraw/zinc/24/31/15/1072243115.db2.gz GMHYTQWOLMCRJM-ZVHZXABRSA-N 0 0 530.042 6.871 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409327034 1072243198 /nfs/dbraw/zinc/24/31/98/1072243198.db2.gz GWSZZTDQSXIBAS-VIZOYTHASA-N 0 0 596.693 6.130 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)SC2=S)cc1Cl ZINC000409327043 1072243202 /nfs/dbraw/zinc/24/32/02/1072243202.db2.gz HBAXFEFGIBPKBE-RGVLZGJSSA-N 0 0 502.957 5.931 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409327092 1072243597 /nfs/dbraw/zinc/24/35/97/1072243597.db2.gz HTXNRTHITOEBSW-QRVIBDJDSA-N 0 0 546.497 7.386 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409326695 1072244486 /nfs/dbraw/zinc/24/44/86/1072244486.db2.gz DHTKMISWQFVDLI-HMAPJEAMSA-N 0 0 571.474 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409326543 1072246198 /nfs/dbraw/zinc/24/61/98/1072246198.db2.gz BYSYEFZNXUVAFQ-YDZHTSKRSA-N 0 0 560.922 7.486 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)SC1=S ZINC000409326616 1072246700 /nfs/dbraw/zinc/24/67/00/1072246700.db2.gz COGUGOVFAWMHCU-NVMNQCDNSA-N 0 0 509.403 5.166 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)cc1 ZINC000409094494 1072246890 /nfs/dbraw/zinc/24/68/90/1072246890.db2.gz DIUVYVYSLDJJNM-NDZAJKAJSA-N 0 0 581.694 6.747 40 10 KKCBRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)NC1=S ZINC000409093454 1072253187 /nfs/dbraw/zinc/25/31/87/1072253187.db2.gz ZKRXSUITBMOTQA-BOPFTXTBSA-N 0 0 557.251 5.100 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409093151 1072256483 /nfs/dbraw/zinc/25/64/83/1072256483.db2.gz YKYKTFRTOOSCMM-IVQFASICSA-N 0 0 643.596 6.597 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409092339 1072262182 /nfs/dbraw/zinc/26/21/82/1072262182.db2.gz URGJVBLPQCCEHQ-MYYYXRDXSA-N 0 0 577.895 8.459 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)c(Br)c3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409091865 1072268373 /nfs/dbraw/zinc/26/83/73/1072268373.db2.gz SSTFKXQCMXVTDQ-NULZLWRNSA-N 0 0 678.605 5.154 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1 ZINC000409091604 1072268727 /nfs/dbraw/zinc/26/87/27/1072268727.db2.gz QHBAWFSJAHTSGY-ITYLOYPMSA-N 0 0 600.456 7.103 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)S1 ZINC000409091627 1072268753 /nfs/dbraw/zinc/26/87/53/1072268753.db2.gz QSYQVXOBAHESSS-LZYBPNLTSA-N 0 0 528.197 5.036 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409090092 1072284367 /nfs/dbraw/zinc/28/43/67/1072284367.db2.gz QLELTMVKFCRILK-VEPRTGNQSA-N 0 0 680.874 7.340 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc(Cl)c1 ZINC000409089474 1072288963 /nfs/dbraw/zinc/28/89/63/1072288963.db2.gz MMFNJOJDTDXQBJ-XYGWBWBKSA-N 0 0 620.874 7.367 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000409088929 1072294983 /nfs/dbraw/zinc/29/49/83/1072294983.db2.gz LECGZFCJRMVIJX-LMBBUSAASA-N 0 0 646.769 5.467 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c1 ZINC000409100868 1072317187 /nfs/dbraw/zinc/31/71/87/1072317187.db2.gz XAPMVVWRSDAHMZ-JVWAILMASA-N 0 0 619.537 7.825 40 10 KKCBRN S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000409336645 1072328825 /nfs/dbraw/zinc/32/88/25/1072328825.db2.gz ULFOOSNCPVDYDT-UHFFFAOYSA-N 0 0 500.627 6.575 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1C ZINC000409335923 1072334907 /nfs/dbraw/zinc/33/49/07/1072334907.db2.gz ZRZKHZHQTQFPMC-OEAKJJBVSA-N 0 0 553.503 6.489 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)c3ccccc32)cc1 ZINC000409097315 1072337362 /nfs/dbraw/zinc/33/73/62/1072337362.db2.gz GHOYLHYKQQNXQY-UXHLAJHPSA-N 0 0 577.706 7.795 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409335702 1072337713 /nfs/dbraw/zinc/33/77/13/1072337713.db2.gz YTTTWSRVMOZSSN-IDUWFGFVSA-N 0 0 562.385 5.434 40 10 KKCBRN CCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409106523 1072342502 /nfs/dbraw/zinc/34/25/02/1072342502.db2.gz NUKQAKRPFAUTFF-BUVRLJJBSA-N 0 0 501.608 6.458 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107037 1072340795 /nfs/dbraw/zinc/34/07/95/1072340795.db2.gz PVDGPBLTLIKLCU-UFKHLRDRSA-N 0 0 730.672 6.278 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409334883 1072342648 /nfs/dbraw/zinc/34/26/48/1072342648.db2.gz XXGQUMFZSMINHF-IWIPYMOSSA-N 0 0 510.681 5.863 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409335211 1072340806 /nfs/dbraw/zinc/34/08/06/1072340806.db2.gz ZMGDVWCAKRPBLN-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409334414 1072345454 /nfs/dbraw/zinc/34/54/54/1072345454.db2.gz XPXUMUJVOZWEFG-FSJBWODESA-N 0 0 556.471 6.682 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409334264 1072346731 /nfs/dbraw/zinc/34/67/31/1072346731.db2.gz WMKKWJJDPUADMJ-AFPJDJCSSA-N 0 0 658.810 7.841 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409334327 1072347149 /nfs/dbraw/zinc/34/71/49/1072347149.db2.gz WVPHIZPFFMQFQW-WOJGMQOQSA-N 0 0 523.430 5.951 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409334164 1072348194 /nfs/dbraw/zinc/34/81/94/1072348194.db2.gz URUJXWPWWQDLSM-OYKKKHCWSA-N 0 0 511.665 6.931 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409334246 1072348447 /nfs/dbraw/zinc/34/84/47/1072348447.db2.gz WJHBNDLHGMKCRR-MFKUBSTISA-N 0 0 562.673 5.864 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409334099 1072349638 /nfs/dbraw/zinc/34/96/38/1072349638.db2.gz TYIVTFCFHPUCBC-RQZCQDPDSA-N 0 0 561.850 5.766 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCC ZINC000409334109 1072349762 /nfs/dbraw/zinc/34/97/62/1072349762.db2.gz UAKXEMWVTXCYDE-STZFKDTASA-N 0 0 561.466 6.648 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409333675 1072351219 /nfs/dbraw/zinc/35/12/19/1072351219.db2.gz VDKDXVHKVZGTHY-OYKKKHCWSA-N 0 0 536.700 6.149 40 10 KKCBRN O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409333778 1072351522 /nfs/dbraw/zinc/35/15/22/1072351522.db2.gz VVCCJEVUPDNYDX-MKMNVTDBSA-N 0 0 508.189 5.709 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409103935 1072358017 /nfs/dbraw/zinc/35/80/17/1072358017.db2.gz XNRQFGCNOWRAHE-RGVLZGJSSA-N 0 0 558.410 6.155 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409333668 1072353514 /nfs/dbraw/zinc/35/35/14/1072353514.db2.gz VALKUSQOSPOXLL-XYGWBWBKSA-N 0 0 532.484 7.587 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C2=O)cc1 ZINC000409104730 1072353881 /nfs/dbraw/zinc/35/38/81/1072353881.db2.gz FFFGKJHTUXNKAU-ZMOGYAJESA-N 0 0 550.593 5.085 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409332915 1072358043 /nfs/dbraw/zinc/35/80/43/1072358043.db2.gz SUBZBWQHUQVLMB-CJLVFECKSA-N 0 0 512.450 6.313 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 ZINC000409104401 1072355222 /nfs/dbraw/zinc/35/52/22/1072355222.db2.gz ZBEFMPADFUCGGY-FMCGGJTJSA-N 0 0 544.460 6.475 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409332948 1072356320 /nfs/dbraw/zinc/35/63/20/1072356320.db2.gz TVCDSEFKQVEMIQ-PXNMLYILSA-N 0 0 532.359 5.426 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409332958 1072356372 /nfs/dbraw/zinc/35/63/72/1072356372.db2.gz TWHIHTBQJGPFBV-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409332599 1072359766 /nfs/dbraw/zinc/35/97/66/1072359766.db2.gz QONMVLQJWNYAPW-FSJBWODESA-N 0 0 559.496 6.734 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409332624 1072360227 /nfs/dbraw/zinc/36/02/27/1072360227.db2.gz QQYZEXDRNLNBNN-UKWGHVSLSA-N 0 0 648.200 8.642 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409103421 1072361426 /nfs/dbraw/zinc/36/14/26/1072361426.db2.gz WLPVVRLZKYQCRM-URFJJRPFSA-N 0 0 582.770 5.137 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)cc1 ZINC000409332341 1072363006 /nfs/dbraw/zinc/36/30/06/1072363006.db2.gz QUKDDHZGIZTSQJ-OYKKKHCWSA-N 0 0 517.607 5.384 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409332179 1072364300 /nfs/dbraw/zinc/36/43/00/1072364300.db2.gz QGIHKRFWYKIZLK-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102842 1072364576 /nfs/dbraw/zinc/36/45/76/1072364576.db2.gz UJWAZCOMDAHODC-UFKHLRDRSA-N 0 0 649.773 5.581 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409330758 1072373777 /nfs/dbraw/zinc/37/37/77/1072373777.db2.gz LWJVTWCIOZFSGO-WSDLNYQXSA-N 0 0 550.916 8.030 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409331183 1072372747 /nfs/dbraw/zinc/37/27/47/1072372747.db2.gz MJJZSLSBFNCBNL-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409331500 1072368448 /nfs/dbraw/zinc/36/84/48/1072368448.db2.gz OIOPZXILJMTKSA-MSXFZWOLSA-N 0 0 617.974 7.151 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409331475 1072370391 /nfs/dbraw/zinc/37/03/91/1072370391.db2.gz OEIQSSWQFDXUSX-XKZIYDEJSA-N 0 0 546.895 7.096 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409331274 1072371255 /nfs/dbraw/zinc/37/12/55/1072371255.db2.gz NNPXFVFETMZFTE-MFKUBSTISA-N 0 0 521.585 7.843 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409330807 1072374228 /nfs/dbraw/zinc/37/42/28/1072374228.db2.gz MAWKPESNFGSIFJ-PKAZHMFMSA-N 0 0 637.564 8.136 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409330849 1072374562 /nfs/dbraw/zinc/37/45/62/1072374562.db2.gz NCJCQZZAGPRQBR-UUYOSTAYSA-N 0 0 578.912 7.625 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409330819 1072374641 /nfs/dbraw/zinc/37/46/41/1072374641.db2.gz MEBLEBKBKXWRPU-QRVIBDJDSA-N 0 0 538.481 6.543 40 10 KKCBRN C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000409330884 1072375102 /nfs/dbraw/zinc/37/51/02/1072375102.db2.gz AKIYDIVGCJCVOS-JOCHJYFZSA-N 0 0 590.708 8.457 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)SC2=S)cc1 ZINC000409330677 1072375468 /nfs/dbraw/zinc/37/54/68/1072375468.db2.gz LWSMQORIWMOUMX-UCQKPKSFSA-N 0 0 632.501 5.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409330661 1072375474 /nfs/dbraw/zinc/37/54/74/1072375474.db2.gz LQOFLAKHCOAKQB-YUMHPJSZSA-N 0 0 515.631 7.362 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409329967 1072381436 /nfs/dbraw/zinc/38/14/36/1072381436.db2.gz JFKHJXFZAOSZEK-PKAZHMFMSA-N 0 0 637.564 7.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409330559 1072376676 /nfs/dbraw/zinc/37/66/76/1072376676.db2.gz KTCHDWITIXCXFI-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC ZINC000409330398 1072377595 /nfs/dbraw/zinc/37/75/95/1072377595.db2.gz LYWTWXKGCBZHCG-NDENLUEZSA-N 0 0 526.905 7.086 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1 ZINC000409330209 1072378543 /nfs/dbraw/zinc/37/85/43/1072378543.db2.gz JSYLJZNEKOMJAL-HYARGMPZSA-N 0 0 555.475 5.583 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409330245 1072378945 /nfs/dbraw/zinc/37/89/45/1072378945.db2.gz KEQJAGZIGHSMPO-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409330253 1072379047 /nfs/dbraw/zinc/37/90/47/1072379047.db2.gz KGTNIXDRLLZPSH-NHDPSOOVSA-N 0 0 661.892 7.957 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409330053 1072379440 /nfs/dbraw/zinc/37/94/40/1072379440.db2.gz KAYKVGHZXHJOHH-YSURURNPSA-N 0 0 531.590 5.554 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330031 1072379528 /nfs/dbraw/zinc/37/95/28/1072379528.db2.gz JCBULMOIFZVFLP-RGVLZGJSSA-N 0 0 586.991 5.504 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409330046 1072379533 /nfs/dbraw/zinc/37/95/33/1072379533.db2.gz JUROFAZVKITOGP-MTJSOVHGSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409329749 1072382021 /nfs/dbraw/zinc/38/20/21/1072382021.db2.gz HQROMWXGYMAGGX-YDZHTSKRSA-N 0 0 668.418 7.288 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329958 1072380958 /nfs/dbraw/zinc/38/09/58/1072380958.db2.gz JCVYVESEIJNVHI-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1 ZINC000409329590 1072383016 /nfs/dbraw/zinc/38/30/16/1072383016.db2.gz GLBBTNLIKAVAGI-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409329777 1072382548 /nfs/dbraw/zinc/38/25/48/1072382548.db2.gz HWPCVLHOCQXLSY-IWIPYMOSSA-N 0 0 540.504 7.141 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409329630 1072383427 /nfs/dbraw/zinc/38/34/27/1072383427.db2.gz GRSMWKMHZRQLTQ-CPNJWEJPSA-N 0 0 555.459 5.893 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)SC1=S ZINC000409329656 1072383501 /nfs/dbraw/zinc/38/35/01/1072383501.db2.gz GSRMJMZIMJTJCN-WSDLNYQXSA-N 0 0 562.547 6.829 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S ZINC000409329448 1072383954 /nfs/dbraw/zinc/38/39/54/1072383954.db2.gz FQJQQNGFLYOHNH-CIAFOILYSA-N 0 0 509.521 5.710 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409329160 1072386095 /nfs/dbraw/zinc/38/60/95/1072386095.db2.gz DDYBZTXIWUTYTQ-SRZZPIQSSA-N 0 0 545.411 6.481 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409329237 1072387081 /nfs/dbraw/zinc/38/70/81/1072387081.db2.gz CPDJOVLTNANHKZ-HAHDFKILSA-N 0 0 587.504 6.983 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409329288 1072387105 /nfs/dbraw/zinc/38/71/05/1072387105.db2.gz DIERQGCSNGWIPS-IUXPMGMMSA-N 0 0 547.279 6.104 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409329291 1072387117 /nfs/dbraw/zinc/38/71/17/1072387117.db2.gz DJCDJGDGCVRAAL-FSJBWODESA-N 0 0 682.945 7.245 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409329236 1072387156 /nfs/dbraw/zinc/38/71/56/1072387156.db2.gz CNYKPHTVBXHBQI-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409329072 1072388046 /nfs/dbraw/zinc/38/80/46/1072388046.db2.gz COBBVPQLLLYMEE-GRSHGNNSSA-N 0 0 510.509 5.105 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000409329106 1072388096 /nfs/dbraw/zinc/38/80/96/1072388096.db2.gz CUMPHIDMXQLUBN-XKZIYDEJSA-N 0 0 505.577 5.327 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000409329133 1072388462 /nfs/dbraw/zinc/38/84/62/1072388462.db2.gz CXJBAGTUKRURQP-CIAFOILYSA-N 0 0 595.765 7.850 40 10 KKCBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000409328869 1072388514 /nfs/dbraw/zinc/38/85/14/1072388514.db2.gz BSBJUHBOHHCNLS-NDENLUEZSA-N 0 0 502.434 5.314 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409328813 1072390421 /nfs/dbraw/zinc/39/04/21/1072390421.db2.gz AYDJICAUJLAEFH-CXUHLZMHSA-N 0 0 528.291 5.692 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409328562 1072390833 /nfs/dbraw/zinc/39/08/33/1072390833.db2.gz XQQFSFZQABALTA-VULFUBBASA-N 0 0 729.553 5.738 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409328665 1072391264 /nfs/dbraw/zinc/39/12/64/1072391264.db2.gz ZQARESGOVKNEJS-WPWMEQJKSA-N 0 0 605.738 5.781 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1 ZINC000409328646 1072391386 /nfs/dbraw/zinc/39/13/86/1072391386.db2.gz ZIYNFDRIHGOCJG-CIAFOILYSA-N 0 0 652.361 6.485 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409328418 1072391721 /nfs/dbraw/zinc/39/17/21/1072391721.db2.gz UWBTUGYIAHOACW-AFUMVMLFSA-N 0 0 550.727 6.457 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409328440 1072391777 /nfs/dbraw/zinc/39/17/77/1072391777.db2.gz VIWIXAADRTYMJU-DEDYPNTBSA-N 0 0 512.996 5.323 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409328435 1072391865 /nfs/dbraw/zinc/39/18/65/1072391865.db2.gz VGIZYTLXOFWOIO-HMAPJEAMSA-N 0 0 538.050 5.212 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409328502 1072392335 /nfs/dbraw/zinc/39/23/35/1072392335.db2.gz WPFQPSMAYAUPIY-ODLFYWEKSA-N 0 0 536.469 5.422 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409328357 1072393702 /nfs/dbraw/zinc/39/37/02/1072393702.db2.gz SVCRVIQFBFIKGZ-FOKLQQMPSA-N 0 0 688.461 8.703 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328378 1072393722 /nfs/dbraw/zinc/39/37/22/1072393722.db2.gz TZCRKXHMEUPKJF-KEBDBYFISA-N 0 0 768.661 8.297 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409328329 1072393748 /nfs/dbraw/zinc/39/37/48/1072393748.db2.gz SHFZFZDTXWNOGJ-LPYMAVHISA-N 0 0 622.379 7.402 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409328180 1072394575 /nfs/dbraw/zinc/39/45/75/1072394575.db2.gz PSMAQQPIZQSWAQ-UKWGHVSLSA-N 0 0 648.200 8.642 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409328195 1072394729 /nfs/dbraw/zinc/39/47/29/1072394729.db2.gz PWNKKHXCKJRCQQ-OEAKJJBVSA-N 0 0 540.504 7.059 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409328162 1072394741 /nfs/dbraw/zinc/39/47/41/1072394741.db2.gz PPHFTFUZVVXZRZ-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409328233 1072395109 /nfs/dbraw/zinc/39/51/09/1072395109.db2.gz QHPLLDWRHMUQKR-OYKKKHCWSA-N 0 0 553.934 7.820 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409328015 1072395533 /nfs/dbraw/zinc/39/55/33/1072395533.db2.gz PBRIDYZKSIWVPU-WGARJPEWSA-N 0 0 552.504 8.140 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)c(C)c1 ZINC000409328003 1072395697 /nfs/dbraw/zinc/39/56/97/1072395697.db2.gz PANHLFFOKOGFQM-YDZHTSKRSA-N 0 0 540.644 5.694 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(OC)cc4)C3=O)o2)cc1 ZINC000409327920 1072397314 /nfs/dbraw/zinc/39/73/14/1072397314.db2.gz NOUSSQNFSFUDPY-XQNSMLJCSA-N 0 0 536.631 5.458 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409327724 1072397929 /nfs/dbraw/zinc/39/79/29/1072397929.db2.gz LWEFODCCYPAUGL-CIAFOILYSA-N 0 0 669.347 7.189 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409327743 1072398272 /nfs/dbraw/zinc/39/82/72/1072398272.db2.gz MFYMCNUSFBSZKB-WSDLNYQXSA-N 0 0 550.916 8.030 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327749 1072398284 /nfs/dbraw/zinc/39/82/84/1072398284.db2.gz MIGBZIOJRJDHBG-JMIUGGIZSA-N 0 0 598.352 8.221 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409327806 1072398825 /nfs/dbraw/zinc/39/88/25/1072398825.db2.gz NGWJUSDLNPSNFX-BUVRLJJBSA-N 0 0 520.632 5.436 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409327583 1072399741 /nfs/dbraw/zinc/39/97/41/1072399741.db2.gz KYUFJSIJEAADQV-UYRXBGFRSA-N 0 0 598.484 5.034 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409109179 1072400923 /nfs/dbraw/zinc/40/09/23/1072400923.db2.gz ZEGLBHRMKWPPCD-UAMLYEQYSA-N 0 0 710.638 5.133 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409327475 1072401247 /nfs/dbraw/zinc/40/12/47/1072401247.db2.gz JZOFBUOUGPIHQO-FBHDLOMBSA-N 0 0 566.966 7.474 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409327341 1072402413 /nfs/dbraw/zinc/40/24/13/1072402413.db2.gz JELIFIOEADMEDB-QRVIBDJDSA-N 0 0 590.561 7.694 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409347015 1072410717 /nfs/dbraw/zinc/41/07/17/1072410717.db2.gz PJFWSKVYRLCQBQ-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409346898 1072412426 /nfs/dbraw/zinc/41/24/26/1072412426.db2.gz OTSJWQTXSDFIJZ-LICLKQGHSA-N 0 0 511.850 5.356 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1 ZINC000409346912 1072412432 /nfs/dbraw/zinc/41/24/32/1072412432.db2.gz OQWPAUSUCXZMBX-PCLIKHOPSA-N 0 0 561.685 5.382 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409346916 1072412433 /nfs/dbraw/zinc/41/24/33/1072412433.db2.gz OZWREENOPFVIDD-NHDPSOOVSA-N 0 0 628.340 7.591 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409346681 1072412997 /nfs/dbraw/zinc/41/29/97/1072412997.db2.gz NZOIWPJIPOZCJX-CJLVFECKSA-N 0 0 511.024 5.344 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000409346666 1072413012 /nfs/dbraw/zinc/41/30/12/1072413012.db2.gz NIRYKJBZPHCBGG-GRSHGNNSSA-N 0 0 569.442 5.613 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346773 1072413497 /nfs/dbraw/zinc/41/34/97/1072413497.db2.gz OMYCJFFQEAKTSM-UUYOSTAYSA-N 0 0 652.919 7.236 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409346734 1072413511 /nfs/dbraw/zinc/41/35/11/1072413511.db2.gz OHHSFAYLRYQFPT-ZDLGFXPLSA-N 0 0 511.249 7.422 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409107515 1072414903 /nfs/dbraw/zinc/41/49/03/1072414903.db2.gz WOJVFHRUIWYUSW-RGFRMHDHSA-N 0 0 577.125 5.304 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409346654 1072415046 /nfs/dbraw/zinc/41/50/46/1072415046.db2.gz OBWCSFMSZDIBNC-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409346631 1072415065 /nfs/dbraw/zinc/41/50/65/1072415065.db2.gz NUWVDFHKGXIBPM-NHDPSOOVSA-N 0 0 564.885 7.235 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409123067 1072417985 /nfs/dbraw/zinc/41/79/85/1072417985.db2.gz DNBUCPGAKJEFRV-HUBZVCNYSA-N 0 0 531.747 6.049 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409346162 1072418081 /nfs/dbraw/zinc/41/80/81/1072418081.db2.gz NKTFOULXEHYNMJ-FMCGGJTJSA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409345956 1072418581 /nfs/dbraw/zinc/41/85/81/1072418581.db2.gz LXGIJGCRZKYYNK-GTWSWNCMSA-N 0 0 547.701 8.377 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409345937 1072418604 /nfs/dbraw/zinc/41/86/04/1072418604.db2.gz LVLIRNQUVBXLSM-SRZZPIQSSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409345859 1072420710 /nfs/dbraw/zinc/42/07/10/1072420710.db2.gz MLCBOEGLSRLVQL-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409122595 1072421009 /nfs/dbraw/zinc/42/10/09/1072421009.db2.gz ACZMEUZKMXNIOP-RMORIDSASA-N 0 0 538.467 6.388 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409345910 1072421215 /nfs/dbraw/zinc/42/12/15/1072421215.db2.gz MSQWBKUWZRWGOK-YSMPRRRNSA-N 0 0 657.982 8.481 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409345696 1072421612 /nfs/dbraw/zinc/42/16/12/1072421612.db2.gz IXMIPLHNUHTPCD-JJFYIABZSA-N 0 0 568.545 6.008 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409345684 1072421673 /nfs/dbraw/zinc/42/16/73/1072421673.db2.gz ITZZTOMZPJQNCL-AFUMVMLFSA-N 0 0 536.650 6.381 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409345774 1072422288 /nfs/dbraw/zinc/42/22/88/1072422288.db2.gz JUZJASVRDYNQDX-VULFUBBASA-N 0 0 689.878 9.402 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409345767 1072422297 /nfs/dbraw/zinc/42/22/97/1072422297.db2.gz JTRYAIZOAZUWLF-MOSHPQCFSA-N 0 0 553.487 6.501 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409345314 1072426368 /nfs/dbraw/zinc/42/63/68/1072426368.db2.gz LKURKNFZPOAXLR-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409345083 1072426965 /nfs/dbraw/zinc/42/69/65/1072426965.db2.gz KDFFLELOEPJLPD-ZVHZXABRSA-N 0 0 512.052 6.732 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409345148 1072427515 /nfs/dbraw/zinc/42/75/15/1072427515.db2.gz KAVWVTORBINQTQ-UCQKPKSFSA-N 0 0 543.483 6.639 40 10 KKCBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)C(C)C)c1 ZINC000409344949 1072427940 /nfs/dbraw/zinc/42/79/40/1072427940.db2.gz KERJOWDIZREPMK-XKHIVHIHSA-N 0 0 541.681 6.397 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409344800 1072428415 /nfs/dbraw/zinc/42/84/15/1072428415.db2.gz HFUOYBHWHSVYNL-CXUHLZMHSA-N 0 0 607.276 6.009 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409344714 1072430729 /nfs/dbraw/zinc/43/07/29/1072430729.db2.gz GPKHWPJDDABCQY-YUMHPJSZSA-N 0 0 542.638 7.132 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409344370 1072432193 /nfs/dbraw/zinc/43/21/93/1072432193.db2.gz JEVABQBDMIUNND-MYKKPKGFSA-N 0 0 505.020 6.478 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409344443 1072432855 /nfs/dbraw/zinc/43/28/55/1072432855.db2.gz JOQCEDFPWULYQN-QRVIBDJDSA-N 0 0 609.394 8.135 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409344432 1072432901 /nfs/dbraw/zinc/43/29/01/1072432901.db2.gz JETRNQLKJAXQCV-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409344208 1072433408 /nfs/dbraw/zinc/43/34/08/1072433408.db2.gz IDQJPJZOUAKOEZ-HMAPJEAMSA-N 0 0 556.643 5.394 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O ZINC000409344135 1072435556 /nfs/dbraw/zinc/43/55/56/1072435556.db2.gz FPQZBTZCDYWRMT-ZSOIEALJSA-N 0 0 503.770 5.065 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000409343801 1072437349 /nfs/dbraw/zinc/43/73/49/1072437349.db2.gz GPOGQRGELQFKAR-GZTJUZNOSA-N 0 0 511.406 5.413 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409343840 1072437916 /nfs/dbraw/zinc/43/79/16/1072437916.db2.gz DPRYVBCIENYCHW-UKWGHVSLSA-N 0 0 615.836 8.228 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)SC1=S ZINC000409343636 1072438412 /nfs/dbraw/zinc/43/84/12/1072438412.db2.gz HXSWMJITJWZHJH-ODLFYWEKSA-N 0 0 505.459 5.305 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409343627 1072438424 /nfs/dbraw/zinc/43/84/24/1072438424.db2.gz HXMXOPXXAWYKHC-KEBDBYFISA-N 0 0 505.404 7.184 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409343217 1072442333 /nfs/dbraw/zinc/44/23/33/1072442333.db2.gz DBAPMBUWKXGZMI-BKUYFWCQSA-N 0 0 527.465 6.146 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409343230 1072442412 /nfs/dbraw/zinc/44/24/12/1072442412.db2.gz DCMAVXNNTMESCL-HZHRSRAPSA-N 0 0 556.503 6.841 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409343186 1072442434 /nfs/dbraw/zinc/44/24/34/1072442434.db2.gz CUSNLBCWZDEYLD-AFPJDJCSSA-N 0 0 708.708 9.555 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409342912 1072444937 /nfs/dbraw/zinc/44/49/37/1072444937.db2.gz CYOZJJHTGIHZEM-GIJQJNRQSA-N 0 0 619.886 5.310 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3OCc3ccccc3)SC2=S)cc1 ZINC000409342761 1072446025 /nfs/dbraw/zinc/44/60/25/1072446025.db2.gz GHRUYWYLBUQMIO-OVVQPSECSA-N 0 0 518.704 6.916 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000409342610 1072447532 /nfs/dbraw/zinc/44/75/32/1072447532.db2.gz DXEWUXFCLSBODW-HZHRSRAPSA-N 0 0 526.477 6.833 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409342494 1072448688 /nfs/dbraw/zinc/44/86/88/1072448688.db2.gz DNOTYGWRHOVYAL-WSDLNYQXSA-N 0 0 556.021 5.680 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409127043 1072448746 /nfs/dbraw/zinc/44/87/46/1072448746.db2.gz INKUEWFPUMZLQX-ROTLSHHCSA-N 0 0 567.505 7.001 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409342374 1072449804 /nfs/dbraw/zinc/44/98/04/1072449804.db2.gz BYQWGKNVAYDVAM-JJFYIABZSA-N 0 0 613.357 8.279 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409342429 1072450344 /nfs/dbraw/zinc/45/03/44/1072450344.db2.gz DWEXELGIOGAHOT-LDADJPATSA-N 0 0 512.878 6.696 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409342196 1072450845 /nfs/dbraw/zinc/45/08/45/1072450845.db2.gz CSSOMQSAHYCUHT-PKAZHMFMSA-N 0 0 606.563 7.994 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409342280 1072451521 /nfs/dbraw/zinc/45/15/21/1072451521.db2.gz BEBAAGOKYSNMOF-JJFYIABZSA-N 0 0 557.993 6.753 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409342017 1072451525 /nfs/dbraw/zinc/45/15/25/1072451525.db2.gz CSIHMGGDQRSZLL-BUVRLJJBSA-N 0 0 565.629 5.127 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409342009 1072451540 /nfs/dbraw/zinc/45/15/40/1072451540.db2.gz DJKCAPUJZUVHTR-NHDPSOOVSA-N 0 0 520.434 7.126 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409342034 1072451894 /nfs/dbraw/zinc/45/18/94/1072451894.db2.gz CVRWRJSHVLYNID-PXNMLYILSA-N 0 0 533.347 6.390 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)c(OC)c3)SC2=S)cc1 ZINC000409342053 1072451932 /nfs/dbraw/zinc/45/19/32/1072451932.db2.gz DBDKADANRQZESP-CVKSISIWSA-N 0 0 627.582 6.897 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409341870 1072452562 /nfs/dbraw/zinc/45/25/62/1072452562.db2.gz CDSJOQPGKJMNJL-PCLIKHOPSA-N 0 0 531.058 6.618 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409126207 1072453161 /nfs/dbraw/zinc/45/31/61/1072453161.db2.gz BECZNESCEMSUNA-CFRMEGHHSA-N 0 0 587.948 7.521 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409341890 1072453954 /nfs/dbraw/zinc/45/39/54/1072453954.db2.gz ALOQXMYMWWHQNJ-WSDLNYQXSA-N 0 0 562.963 7.809 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2C)cc1 ZINC000409126032 1072456691 /nfs/dbraw/zinc/45/66/91/1072456691.db2.gz AOBALXCNEXZGOP-XHPQRKPJSA-N 0 0 518.704 6.495 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409341414 1072457255 /nfs/dbraw/zinc/45/72/55/1072457255.db2.gz BNSRVUGHWWPUFS-MXAYSNPKSA-N 0 0 520.676 6.867 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409341496 1072457986 /nfs/dbraw/zinc/45/79/86/1072457986.db2.gz BJBPNBGMFVPNTM-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409341295 1072458732 /nfs/dbraw/zinc/45/87/32/1072458732.db2.gz AWSPALPCBRGXRS-MFOYZWKCSA-N 0 0 589.860 5.301 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409341326 1072459145 /nfs/dbraw/zinc/45/91/45/1072459145.db2.gz BDMFXKALLDHRIK-RQZCQDPDSA-N 0 0 542.860 5.459 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409125344 1072459606 /nfs/dbraw/zinc/45/96/06/1072459606.db2.gz DXWPIRUMZZBJKY-YSMPRRRNSA-N 0 0 577.569 7.425 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409341360 1072459919 /nfs/dbraw/zinc/45/99/19/1072459919.db2.gz BMHBVZQZWRNHCR-MYYYXRDXSA-N 0 0 522.478 8.131 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409341394 1072459923 /nfs/dbraw/zinc/45/99/23/1072459923.db2.gz BOXKQFZUBDFOAM-CIAFOILYSA-N 0 0 518.404 6.712 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CCOc5ccc(F)cc5)C4=O)c3C)cc2)cc1 ZINC000409125434 1072460801 /nfs/dbraw/zinc/46/08/01/1072460801.db2.gz MKBXHBCJIJGHHA-CEUNXORHSA-N 0 0 558.631 7.149 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409341237 1072460964 /nfs/dbraw/zinc/46/09/64/1072460964.db2.gz ALHDZRDSBWJPQT-XKZIYDEJSA-N 0 0 652.919 7.236 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409125066 1072462282 /nfs/dbraw/zinc/46/22/82/1072462282.db2.gz MJMQXOMPVMIRDM-CFRMEGHHSA-N 0 0 523.452 6.393 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409340537 1072464694 /nfs/dbraw/zinc/46/46/94/1072464694.db2.gz YUABTXBMNVHDTL-MSXFZWOLSA-N 0 0 584.557 6.985 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409340550 1072464749 /nfs/dbraw/zinc/46/47/49/1072464749.db2.gz ZAQDQHKPBPGTRO-BKUYFWCQSA-N 0 0 605.475 5.801 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409340556 1072464816 /nfs/dbraw/zinc/46/48/16/1072464816.db2.gz ZFHOCXXADDKHAY-MYYYXRDXSA-N 0 0 533.030 7.386 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409340575 1072465409 /nfs/dbraw/zinc/46/54/09/1072465409.db2.gz ZOMKIPNGKPFHCG-YDZHTSKRSA-N 0 0 607.016 8.208 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409340393 1072465833 /nfs/dbraw/zinc/46/58/33/1072465833.db2.gz WJSAOWJKFZDNIY-NHDPSOOVSA-N 0 0 628.340 7.591 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1Cl ZINC000409340430 1072466340 /nfs/dbraw/zinc/46/63/40/1072466340.db2.gz XBLJDVDLSLTXER-WSDLNYQXSA-N 0 0 623.921 6.947 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409124572 1072466397 /nfs/dbraw/zinc/46/63/97/1072466397.db2.gz BQFGGFVPBLHEQW-HMAPJEAMSA-N 0 0 663.331 6.432 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409340469 1072466864 /nfs/dbraw/zinc/46/68/64/1072466864.db2.gz XRLIEAKDLVBCIV-CIAFOILYSA-N 0 0 532.521 6.820 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1 ZINC000409340246 1072467339 /nfs/dbraw/zinc/46/73/39/1072467339.db2.gz SUFVIEWMWDDZLG-HMAPJEAMSA-N 0 0 555.475 5.583 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1C ZINC000409340247 1072467410 /nfs/dbraw/zinc/46/74/10/1072467410.db2.gz SUHJNEDSHGPTMJ-WSDLNYQXSA-N 0 0 522.026 7.237 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409124053 1072468625 /nfs/dbraw/zinc/46/86/25/1072468625.db2.gz GMJHFXRGQRNPCH-VEILYXNESA-N 0 0 589.670 7.408 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409340205 1072469696 /nfs/dbraw/zinc/46/96/96/1072469696.db2.gz SEGNXPYBSFPCBP-ZMFRSBBQSA-N 0 0 533.715 6.840 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409339952 1072469699 /nfs/dbraw/zinc/46/96/99/1072469699.db2.gz NJUPXHDVGJLUEI-WPWMEQJKSA-N 0 0 637.564 8.136 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409340045 1072470690 /nfs/dbraw/zinc/47/06/90/1072470690.db2.gz PIUPIRDBWVICMI-SSDVNMTOSA-N 0 0 520.434 7.126 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)c(OC)c3)SC2=S)cc1 ZINC000409340078 1072470715 /nfs/dbraw/zinc/47/07/15/1072470715.db2.gz QBRDVCPUQCAEIG-QQXSKIMKSA-N 0 0 591.711 5.391 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409339822 1072471294 /nfs/dbraw/zinc/47/12/94/1072471294.db2.gz YZUSFZJOSPLHSG-WYMPLXKRSA-N 0 0 617.974 7.151 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409340091 1072471299 /nfs/dbraw/zinc/47/12/99/1072471299.db2.gz QHVCZSQQGRGJKF-RQZCQDPDSA-N 0 0 577.747 7.068 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409339804 1072471300 /nfs/dbraw/zinc/47/13/00/1072471300.db2.gz YQCZNHUHLSXWCS-MFKUBSTISA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409339808 1072471327 /nfs/dbraw/zinc/47/13/27/1072471327.db2.gz YTDYKNOEYBSOIT-UUASQNMZSA-N 0 0 662.139 7.007 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409339852 1072471766 /nfs/dbraw/zinc/47/17/66/1072471766.db2.gz LQSXNTRXOXJRNW-FBHDLOMBSA-N 0 0 579.303 6.838 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409339932 1072472318 /nfs/dbraw/zinc/47/23/18/1072472318.db2.gz ZZMZHFJQHRXDGJ-UCQKPKSFSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339673 1072472412 /nfs/dbraw/zinc/47/24/12/1072472412.db2.gz KKNGYBRNHFBQEH-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409137187 1072473100 /nfs/dbraw/zinc/47/31/00/1072473100.db2.gz UKLUBSUYYYFRHJ-MRUKODCESA-N 0 0 594.512 6.008 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409339744 1072473547 /nfs/dbraw/zinc/47/35/47/1072473547.db2.gz XQDYDGVLVXQQOP-YDZHTSKRSA-N 0 0 515.487 7.044 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OC ZINC000409339781 1072473567 /nfs/dbraw/zinc/47/35/67/1072473567.db2.gz YGWGUSGXXCTZRN-LDADJPATSA-N 0 0 540.448 5.170 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)SC2=S)cc1 ZINC000409339519 1072474145 /nfs/dbraw/zinc/47/41/45/1072474145.db2.gz JKPYSNGKDQZMTC-YZSQISJMSA-N 0 0 526.639 5.974 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409339606 1072474662 /nfs/dbraw/zinc/47/46/62/1072474662.db2.gz WXVZPSMHLXKBNE-NHDPSOOVSA-N 0 0 564.885 7.235 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1Cc1ccccc1 ZINC000409339404 1072475321 /nfs/dbraw/zinc/47/53/21/1072475321.db2.gz VACBYNCWJLNYMH-MTJSOVHGSA-N 0 0 507.999 6.616 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409339425 1072475885 /nfs/dbraw/zinc/47/58/85/1072475885.db2.gz VKFYXYBQEFVXNU-IDUWFGFVSA-N 0 0 563.720 6.678 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409339469 1072476351 /nfs/dbraw/zinc/47/63/51/1072476351.db2.gz IMMMDBNEVBGZEJ-MOSHPQCFSA-N 0 0 607.485 5.539 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409339230 1072477127 /nfs/dbraw/zinc/47/71/27/1072477127.db2.gz FXWSPMVVGVDKCF-OEAKJJBVSA-N 0 0 574.949 7.794 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338957 1072479784 /nfs/dbraw/zinc/47/97/84/1072479784.db2.gz CMBOVDCLUISXBA-WSDLNYQXSA-N 0 0 523.548 6.018 40 10 KKCBRN O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409339048 1072480248 /nfs/dbraw/zinc/48/02/48/1072480248.db2.gz DOXZCWVLKVEUOW-AUWJEWJLSA-N 0 0 536.641 6.113 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409339054 1072480352 /nfs/dbraw/zinc/48/03/52/1072480352.db2.gz DQHFPTSOVHLYLF-RZNTYIFUSA-N 0 0 554.112 6.933 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409338886 1072481309 /nfs/dbraw/zinc/48/13/09/1072481309.db2.gz QENGHQQLIITRQM-MHWRWJLKSA-N 0 0 576.275 5.867 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409338739 1072482996 /nfs/dbraw/zinc/48/29/96/1072482996.db2.gz PFNNDOQEIKNWNA-LPYMAVHISA-N 0 0 530.896 7.396 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409338749 1072483008 /nfs/dbraw/zinc/48/30/08/1072483008.db2.gz ADMHDVKVJGGZFF-MTJSOVHGSA-N 0 0 561.866 6.996 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409338500 1072483650 /nfs/dbraw/zinc/48/36/50/1072483650.db2.gz KZFDUFMMCSAVCM-JJFYIABZSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338777 1072483673 /nfs/dbraw/zinc/48/36/73/1072483673.db2.gz ATQSVCYKSREIGD-HAHDFKILSA-N 0 0 556.503 6.841 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338508 1072483727 /nfs/dbraw/zinc/48/37/27/1072483727.db2.gz LCNHDUZTQBQOPW-XKZIYDEJSA-N 0 0 589.464 6.880 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCC(=O)OC ZINC000409338633 1072484816 /nfs/dbraw/zinc/48/48/16/1072484816.db2.gz NHGUFDBQXRTCCV-CAOOACKPSA-N 0 0 577.305 6.112 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409338375 1072485608 /nfs/dbraw/zinc/48/56/08/1072485608.db2.gz IUFUTAKPQWOPGL-MTDXEUNCSA-N 0 0 554.693 6.970 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)ccc1Cl ZINC000409338415 1072485648 /nfs/dbraw/zinc/48/56/48/1072485648.db2.gz JMWNTABGOKNNLX-FYJGNVAPSA-N 0 0 516.065 6.904 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409338479 1072486085 /nfs/dbraw/zinc/48/60/85/1072486085.db2.gz KRKHHXRGEHKQHO-LSHDLFTRSA-N 0 0 560.878 6.816 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409338222 1072486688 /nfs/dbraw/zinc/48/66/88/1072486688.db2.gz GANJACWSCOKRGD-MYYYXRDXSA-N 0 0 509.096 7.171 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S)c1ccc(Cl)cc1 ZINC000409338206 1072486707 /nfs/dbraw/zinc/48/67/07/1072486707.db2.gz FSOIEUPVJBIZLQ-MFKUBSTISA-N 0 0 565.503 7.272 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409338253 1072486767 /nfs/dbraw/zinc/48/67/67/1072486767.db2.gz GPZXHVNPBNTYOA-IWIPYMOSSA-N 0 0 582.103 5.611 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 ZINC000409338116 1072488324 /nfs/dbraw/zinc/48/83/24/1072488324.db2.gz DGRXCRMNDBZVLK-OYKKKHCWSA-N 0 0 518.063 6.198 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409134700 1072489956 /nfs/dbraw/zinc/48/99/56/1072489956.db2.gz XDZHMFFFKQAEDS-IWIPYMOSSA-N 0 0 515.639 5.482 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409337982 1072490012 /nfs/dbraw/zinc/49/00/12/1072490012.db2.gz ASGCGOLMFPVAAU-ZVHZXABRSA-N 0 0 509.483 7.711 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409337648 1072492150 /nfs/dbraw/zinc/49/21/50/1072492150.db2.gz XBNHDXNJIDVATA-OREGWCPLSA-N 0 0 525.095 6.462 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409134412 1072492218 /nfs/dbraw/zinc/49/22/18/1072492218.db2.gz SGPROYJULLHCPK-QQXSKIMKSA-N 0 0 562.072 8.048 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409133665 1072496769 /nfs/dbraw/zinc/49/67/69/1072496769.db2.gz MYGOVRNQPWMOPW-IWIPYMOSSA-N 0 0 504.568 5.080 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409133554 1072498379 /nfs/dbraw/zinc/49/83/79/1072498379.db2.gz LJENINGVWJTAJQ-UUYOSTAYSA-N 0 0 602.304 6.200 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409131403 1072509844 /nfs/dbraw/zinc/50/98/44/1072509844.db2.gz IJGRZVAXBQENHP-UCQKPKSFSA-N 0 0 527.429 6.371 40 10 KKCBRN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409355400 1072510251 /nfs/dbraw/zinc/51/02/51/1072510251.db2.gz BTDAXKQFOBRBEZ-RFIQVLFYSA-N 0 0 562.099 6.742 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(Cc5cccnc5)C4=O)c3C)cc2)cc1 ZINC000409131276 1072511058 /nfs/dbraw/zinc/51/10/58/1072511058.db2.gz MZALGSTYZNZZQG-YUMHPJSZSA-N 0 0 527.671 6.691 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409131146 1072512052 /nfs/dbraw/zinc/51/20/52/1072512052.db2.gz NKHMOBQYTMINQM-ITYLOYPMSA-N 0 0 531.747 6.097 40 10 KKCBRN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409355102 1072511990 /nfs/dbraw/zinc/51/19/90/1072511990.db2.gz BPUMTQPUKWSJDN-GQROMEJPSA-N 0 0 576.126 7.132 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1-c1ccc(Br)cc1 ZINC000409354949 1072513016 /nfs/dbraw/zinc/51/30/16/1072513016.db2.gz AVURSGQLFPGCPN-BYYHNAKLSA-N 0 0 521.444 6.874 40 10 KKCBRN CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O ZINC000409130866 1072513342 /nfs/dbraw/zinc/51/33/42/1072513342.db2.gz VGFSEPNOGYRANU-BKUYFWCQSA-N 0 0 504.450 5.140 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC1=S ZINC000409130354 1072515197 /nfs/dbraw/zinc/51/51/97/1072515197.db2.gz LMWHOVMCEDOYLE-BKUYFWCQSA-N 0 0 517.470 5.330 40 10 KKCBRN CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O ZINC000409130388 1072515556 /nfs/dbraw/zinc/51/55/56/1072515556.db2.gz HHNILMVKGZUSLY-HMAPJEAMSA-N 0 0 518.477 5.530 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409130407 1072515651 /nfs/dbraw/zinc/51/56/51/1072515651.db2.gz HSHLSDLEJBICMJ-BRPDVVIDSA-N 0 0 542.726 6.951 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000409130416 1072515668 /nfs/dbraw/zinc/51/56/68/1072515668.db2.gz HSXASQSVEJTCBF-HMAPJEAMSA-N 0 0 555.425 5.966 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409130266 1072516459 /nfs/dbraw/zinc/51/64/59/1072516459.db2.gz GZVSPGHSJUWZMV-QQXSKIMKSA-N 0 0 535.109 7.488 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)S1)c1ccccc1 ZINC000409129800 1072518319 /nfs/dbraw/zinc/51/83/19/1072518319.db2.gz UYNPZVGSWPJTQU-BKUYFWCQSA-N 0 0 574.827 5.924 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc5c(c4)OCO5)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409129164 1072520891 /nfs/dbraw/zinc/52/08/91/1072520891.db2.gz FPHBOQXVVIFNNB-PPDIBHTLSA-N 0 0 623.550 6.622 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409129251 1072521792 /nfs/dbraw/zinc/52/17/92/1072521792.db2.gz RIUBJVPFHRKZSN-OYKKKHCWSA-N 0 0 553.478 7.028 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409128918 1072523365 /nfs/dbraw/zinc/52/33/65/1072523365.db2.gz HEGMYXQPCNVYMK-OKCVXOCRSA-N 0 0 528.762 8.179 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409352954 1072523880 /nfs/dbraw/zinc/52/38/80/1072523880.db2.gz ZRPNHYJYXLNCSV-IWIPYMOSSA-N 0 0 522.604 5.987 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c1 ZINC000409353065 1072524884 /nfs/dbraw/zinc/52/48/84/1072524884.db2.gz YGDNSCQOCHQCJK-WGARJPEWSA-N 0 0 573.721 6.445 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409352671 1072526153 /nfs/dbraw/zinc/52/61/53/1072526153.db2.gz XVNAWQQEEIPNAY-LPYMAVHISA-N 0 0 695.944 6.377 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409352717 1072526554 /nfs/dbraw/zinc/52/65/54/1072526554.db2.gz YSRZJPVBZLSXKD-LPYMAVHISA-N 0 0 639.818 8.249 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC ZINC000409352639 1072527853 /nfs/dbraw/zinc/52/78/53/1072527853.db2.gz XOLYGRDDIBWZKK-NVNXTCNLSA-N 0 0 504.349 5.891 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4SC(=O)N(CC(=O)c5ccc(C)cc5)C4=O)c3C)cc2)cc1 ZINC000409127666 1072529108 /nfs/dbraw/zinc/52/91/08/1072529108.db2.gz QQZJMODICGHCEK-YKQZZPSBSA-N 0 0 552.652 7.123 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409127724 1072529695 /nfs/dbraw/zinc/52/96/95/1072529695.db2.gz JNUTWRYTVMEJFW-GEUHTFEZSA-N 0 0 557.535 6.171 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409352174 1072530054 /nfs/dbraw/zinc/53/00/54/1072530054.db2.gz WQJNKKVLFQTUHM-JMIUGGIZSA-N 0 0 700.317 6.789 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)SC2=S)cc1 ZINC000409352176 1072530366 /nfs/dbraw/zinc/53/03/66/1072530366.db2.gz WSDHVBDUYMHYNU-IWIPYMOSSA-N 0 0 603.503 6.683 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409352191 1072530378 /nfs/dbraw/zinc/53/03/78/1072530378.db2.gz WPAKZISGHSGIJB-QPSGOUHRSA-N 0 0 674.219 8.232 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409127664 1072531132 /nfs/dbraw/zinc/53/11/32/1072531132.db2.gz QQOQLPZRDIYAPK-UQQQWYQISA-N 0 0 523.768 6.244 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409144802 1072532090 /nfs/dbraw/zinc/53/20/90/1072532090.db2.gz GSSUNJSIXOTVPZ-OEAKJJBVSA-N 0 0 529.887 7.179 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409351487 1072533683 /nfs/dbraw/zinc/53/36/83/1072533683.db2.gz UOYSUIIOLBFIFD-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409351528 1072534136 /nfs/dbraw/zinc/53/41/36/1072534136.db2.gz UYVXOILBBYOZBE-LSHDLFTRSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409351601 1072534525 /nfs/dbraw/zinc/53/45/25/1072534525.db2.gz VAWRONKSFQFWJE-OEAKJJBVSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409351359 1072535079 /nfs/dbraw/zinc/53/50/79/1072535079.db2.gz UGAWSEDFFSNJMW-APSNUPSMSA-N 0 0 512.802 6.774 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)c2C)cc1 ZINC000409351403 1072535776 /nfs/dbraw/zinc/53/57/76/1072535776.db2.gz UOAQNEUPNDCDQR-XKZIYDEJSA-N 0 0 587.439 5.382 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409351214 1072536753 /nfs/dbraw/zinc/53/67/53/1072536753.db2.gz ZKMRSDJZFZONCH-RWPZCVJISA-N 0 0 541.650 6.952 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409351222 1072536801 /nfs/dbraw/zinc/53/68/01/1072536801.db2.gz ZMXUZKOOQPOTIE-JJFYIABZSA-N 0 0 624.365 7.188 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c1 ZINC000409351096 1072538056 /nfs/dbraw/zinc/53/80/56/1072538056.db2.gz ZIYQAIWTNQVMGX-BHGWPJFGSA-N 0 0 541.550 8.124 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCC ZINC000409351114 1072538641 /nfs/dbraw/zinc/53/86/41/1072538641.db2.gz ZLSWXJJSRXJPHP-WOJGMQOQSA-N 0 0 510.500 6.374 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000409351168 1072539117 /nfs/dbraw/zinc/53/91/17/1072539117.db2.gz ZUZUUDCJELKBBC-LPYMAVHISA-N 0 0 603.491 5.731 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409350784 1072540204 /nfs/dbraw/zinc/54/02/04/1072540204.db2.gz ZBTMBCSNYVLBKU-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409350686 1072541712 /nfs/dbraw/zinc/54/17/12/1072541712.db2.gz SALJQCOYLHNSRI-PKAZHMFMSA-N 0 0 590.564 8.294 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409143070 1072543225 /nfs/dbraw/zinc/54/32/25/1072543225.db2.gz YWDXQAUYBNHOLD-IWIPYMOSSA-N 0 0 568.562 5.860 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(F)F ZINC000409350201 1072544415 /nfs/dbraw/zinc/54/44/15/1072544415.db2.gz QZKVEKZYJZBBRE-CHHVJCJISA-N 0 0 506.777 6.118 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409350232 1072544534 /nfs/dbraw/zinc/54/45/34/1072544534.db2.gz RDANFWYKHOTGOK-AFUMVMLFSA-N 0 0 540.468 8.271 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409142970 1072544987 /nfs/dbraw/zinc/54/49/87/1072544987.db2.gz SLGLMNVBRNKHKF-MFKUBSTISA-N 0 0 612.129 5.619 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)c(Cl)c1 ZINC000409142773 1072545452 /nfs/dbraw/zinc/54/54/52/1072545452.db2.gz BVPOEPKUKYOWLY-LPYMAVHISA-N 0 0 513.015 5.913 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142788 1072545986 /nfs/dbraw/zinc/54/59/86/1072545986.db2.gz BZWHUPMNELWBCX-JOCHJYFZSA-N 0 0 585.347 7.446 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409349898 1072546156 /nfs/dbraw/zinc/54/61/56/1072546156.db2.gz WNIGUCUCGXWDJB-FMCGGJTJSA-N 0 0 523.998 6.796 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409349914 1072546213 /nfs/dbraw/zinc/54/62/13/1072546213.db2.gz WLYKPMUQHUSGKG-JJFYIABZSA-N 0 0 676.812 8.635 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349935 1072546222 /nfs/dbraw/zinc/54/62/22/1072546222.db2.gz WPZVDVRDEQIBMB-XKZIYDEJSA-N 0 0 552.596 7.339 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409142689 1072546725 /nfs/dbraw/zinc/54/67/25/1072546725.db2.gz CUZZLDLTQJASLK-QRVIBDJDSA-N 0 0 603.947 6.545 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349786 1072547236 /nfs/dbraw/zinc/54/72/36/1072547236.db2.gz WELDYURQVNHVCI-UFFVCSGVSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCC ZINC000409142454 1072547354 /nfs/dbraw/zinc/54/73/54/1072547354.db2.gz AAAPQKHFEFUPMF-KEBDBYFISA-N 0 0 565.555 5.695 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409349825 1072547550 /nfs/dbraw/zinc/54/75/50/1072547550.db2.gz QYEQDWMCQABOAD-UFFVCSGVSA-N 0 0 573.992 6.372 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)c(C)c1 ZINC000409349876 1072547606 /nfs/dbraw/zinc/54/76/06/1072547606.db2.gz WKGKVFPIQDMKSF-BRJLIKDPSA-N 0 0 507.055 7.505 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1C1CCCCC1 ZINC000409349590 1072548034 /nfs/dbraw/zinc/54/80/34/1072548034.db2.gz QBRIOJOMVNJNAD-BKUYFWCQSA-N 0 0 522.917 7.215 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409349639 1072548405 /nfs/dbraw/zinc/54/84/05/1072548405.db2.gz VRIREFDAJIXQSJ-FOKLQQMPSA-N 0 0 574.352 8.165 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409349483 1072549166 /nfs/dbraw/zinc/54/91/66/1072549166.db2.gz QKXXDNHEXFIHJW-MIXAMLLLSA-N 0 0 525.695 7.840 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409349571 1072549845 /nfs/dbraw/zinc/54/98/45/1072549845.db2.gz QBDYMCXDCHPZKZ-OGLMXYFKSA-N 0 0 543.735 7.945 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409142056 1072550098 /nfs/dbraw/zinc/55/00/98/1072550098.db2.gz ATMCWXYTYCIEND-YDZHTSKRSA-N 0 0 559.496 6.436 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409142097 1072550529 /nfs/dbraw/zinc/55/05/29/1072550529.db2.gz LFGHYZAAAWBCDJ-OQLNFPPLSA-N 0 0 513.084 6.144 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409349439 1072550679 /nfs/dbraw/zinc/55/06/79/1072550679.db2.gz PXCYEOAXONLCSK-ZVHZXABRSA-N 0 0 534.062 5.898 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409349197 1072551190 /nfs/dbraw/zinc/55/11/90/1072551190.db2.gz UWRSVXDAYMLKSO-MTJSOVHGSA-N 0 0 532.521 6.820 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409141971 1072551445 /nfs/dbraw/zinc/55/14/45/1072551445.db2.gz KJQTVWQIXPPSAA-JLPGSUDCSA-N 0 0 503.693 5.868 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409349286 1072551961 /nfs/dbraw/zinc/55/19/61/1072551961.db2.gz VIFYFVJZBKCNOX-ZVHZXABRSA-N 0 0 572.521 7.589 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409349281 1072551974 /nfs/dbraw/zinc/55/19/74/1072551974.db2.gz VKGLQJABLWSJBU-FSJBWODESA-N 0 0 672.393 7.990 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409349004 1072552056 /nfs/dbraw/zinc/55/20/56/1072552056.db2.gz UFDKVGAZFDQXSI-UKWGHVSLSA-N 0 0 648.200 8.642 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409349274 1072552101 /nfs/dbraw/zinc/55/21/01/1072552101.db2.gz VJAJKYUUSYOSHN-QRQIAZFYSA-N 0 0 554.693 6.889 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409141670 1072552618 /nfs/dbraw/zinc/55/26/18/1072552618.db2.gz JLNLQSABPLPRQG-PKAZHMFMSA-N 0 0 549.117 7.174 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409348934 1072553784 /nfs/dbraw/zinc/55/37/84/1072553784.db2.gz UBROJVHBMYYMFZ-YVLHZVERSA-N 0 0 512.834 5.450 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348995 1072554231 /nfs/dbraw/zinc/55/42/31/1072554231.db2.gz QWQWCBJTQCKXDI-CPLAZBKFSA-N 0 0 624.598 8.268 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409348616 1072555510 /nfs/dbraw/zinc/55/55/10/1072555510.db2.gz NTNHZNJSHAUIKG-IWIPYMOSSA-N 0 0 549.630 5.725 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409141059 1072555860 /nfs/dbraw/zinc/55/58/60/1072555860.db2.gz LONVWMLQUNNBEA-RWPZCVJISA-N 0 0 554.737 6.868 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NCc1ccco1 ZINC000409140895 1072556880 /nfs/dbraw/zinc/55/68/80/1072556880.db2.gz GQBDWFHOHFSGCM-AFPJDJCSSA-N 0 0 567.490 5.110 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1Cl ZINC000409348350 1072557756 /nfs/dbraw/zinc/55/77/56/1072557756.db2.gz SGWMZFGEAKIPOK-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000409348208 1072558623 /nfs/dbraw/zinc/55/86/23/1072558623.db2.gz RZYBCBJMUMPLEE-APSNUPSMSA-N 0 0 533.252 5.714 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1O ZINC000409140206 1072560958 /nfs/dbraw/zinc/56/09/58/1072560958.db2.gz GFVVWWWYXGRDIF-IUXPMGMMSA-N 0 0 527.849 5.061 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409347742 1072561447 /nfs/dbraw/zinc/56/14/47/1072561447.db2.gz RBLQHDDTNSDGIY-UCQKPKSFSA-N 0 0 522.673 5.840 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)c2C)cc1 ZINC000409139868 1072562973 /nfs/dbraw/zinc/56/29/73/1072562973.db2.gz BVJDZLBECMAZSY-ONUIUJJFSA-N 0 0 516.619 5.970 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409347609 1072562956 /nfs/dbraw/zinc/56/29/56/1072562956.db2.gz QNKKYRDRGUGICD-WOJGMQOQSA-N 0 0 521.255 6.877 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1I ZINC000409347687 1072563308 /nfs/dbraw/zinc/56/33/08/1072563308.db2.gz QWBMVKKXXOHSHM-VIZOYTHASA-N 0 0 522.216 6.012 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409347449 1072563771 /nfs/dbraw/zinc/56/37/71/1072563771.db2.gz MGSWQCSRUBCQQT-OCKHKDLRSA-N 0 0 522.442 5.032 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409347320 1072564336 /nfs/dbraw/zinc/56/43/36/1072564336.db2.gz PHDIHEQYQNQUJS-WSDLNYQXSA-N 0 0 575.495 6.136 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c(C)c1 ZINC000409347370 1072564727 /nfs/dbraw/zinc/56/47/27/1072564727.db2.gz PPQIWJLXISPREU-UUYOSTAYSA-N 0 0 507.549 6.318 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409139146 1072566529 /nfs/dbraw/zinc/56/65/29/1072566529.db2.gz AISJNIDMDZUJOL-CFRMEGHHSA-N 0 0 596.597 6.226 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409138597 1072570413 /nfs/dbraw/zinc/57/04/13/1072570413.db2.gz FELJOKFZXSBYPV-WKRCLWGVSA-N 0 0 505.503 5.854 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409366027 1072576217 /nfs/dbraw/zinc/57/62/17/1072576217.db2.gz XMKSEYWJRMBXLK-UHFFFAOYSA-N 0 0 614.427 6.189 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146388 1072581473 /nfs/dbraw/zinc/58/14/73/1072581473.db2.gz SOEKYMMRPKZTED-ZVBGSRNCSA-N 0 0 544.054 5.957 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409146067 1072583282 /nfs/dbraw/zinc/58/32/82/1072583282.db2.gz QRMMNXYNSQKOSF-CNHKJKLMSA-N 0 0 694.398 5.743 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCC ZINC000409146182 1072583668 /nfs/dbraw/zinc/58/36/68/1072583668.db2.gz RFQFUIUWHDRRJI-KEBDBYFISA-N 0 0 612.555 5.537 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409364273 1072585474 /nfs/dbraw/zinc/58/54/74/1072585474.db2.gz WXQGNYOWUVGCFO-PMJOTMIOSA-N 0 0 576.126 7.225 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409145131 1072589234 /nfs/dbraw/zinc/58/92/34/1072589234.db2.gz MSGVLWWBVUNHBJ-CVKSISIWSA-N 0 0 610.157 6.228 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409145108 1072589353 /nfs/dbraw/zinc/58/93/53/1072589353.db2.gz PZROHTCXTHVVBG-QRVIBDJDSA-N 0 0 508.485 6.353 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409145144 1072589768 /nfs/dbraw/zinc/58/97/68/1072589768.db2.gz PLDJMUGORPPSEQ-JMIUGGIZSA-N 0 0 530.469 5.021 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409144900 1072589800 /nfs/dbraw/zinc/58/98/00/1072589800.db2.gz HBYSVNYPCADUIM-QFEZKATASA-N 0 0 561.754 5.992 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409144973 1072590214 /nfs/dbraw/zinc/59/02/14/1072590214.db2.gz HIURCMVVXUNNME-QQXSKIMKSA-N 0 0 547.746 6.063 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409157173 1072591043 /nfs/dbraw/zinc/59/10/43/1072591043.db2.gz UXNDKPSNAQZUOS-OJLQRUNKSA-N 0 0 567.257 8.448 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409156322 1072595285 /nfs/dbraw/zinc/59/52/85/1072595285.db2.gz NMDLMGUXHKOLOG-JFLMPSFJSA-N 0 0 633.683 5.142 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409155383 1072600419 /nfs/dbraw/zinc/60/04/19/1072600419.db2.gz IPLWZTHULDGZAH-BCQCSXDESA-N 0 0 534.450 6.958 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409155324 1072600466 /nfs/dbraw/zinc/60/04/66/1072600466.db2.gz IGXAMSJLBDHZCA-UNVFRBQDSA-N 0 0 569.883 8.042 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409361509 1072600505 /nfs/dbraw/zinc/60/05/05/1072600505.db2.gz SWVXWDKDASXPPR-DHRITJCHSA-N 0 0 562.072 6.376 40 10 KKCBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409361282 1072601207 /nfs/dbraw/zinc/60/12/07/1072601207.db2.gz RCPMRMGHQDYECL-QNEJGDQOSA-N 0 0 528.682 7.455 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409154794 1072604523 /nfs/dbraw/zinc/60/45/23/1072604523.db2.gz KONKQVZRIGVISA-VULFUBBASA-N 0 0 621.647 5.273 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154555 1072604941 /nfs/dbraw/zinc/60/49/41/1072604941.db2.gz BIWIHGYMPUKIRG-YTZAWJCFSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154221 1072608148 /nfs/dbraw/zinc/60/81/48/1072608148.db2.gz OALHFKICHKWZCV-RHGYRFJNSA-N 0 0 610.173 8.933 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154216 1072608311 /nfs/dbraw/zinc/60/83/11/1072608311.db2.gz OALHFKICHKWZCV-GGUMNFRJSA-N 0 0 610.173 8.933 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409153336 1072613040 /nfs/dbraw/zinc/61/30/40/1072613040.db2.gz HUJPDZKVTYSRDW-GGUMNFRJSA-N 0 0 576.274 8.078 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1C ZINC000409359016 1072616295 /nfs/dbraw/zinc/61/62/95/1072616295.db2.gz MCEWZTIGXKXJIG-ZMFRSBBQSA-N 0 0 575.756 5.770 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409358635 1072619550 /nfs/dbraw/zinc/61/95/50/1072619550.db2.gz MNRYIQIHIHCBQU-VXLYETTFSA-N 0 0 512.436 5.740 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152297 1072619682 /nfs/dbraw/zinc/61/96/82/1072619682.db2.gz JOYIXKQUPHVCJZ-RLSLOFABSA-N 0 0 564.829 8.535 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409152076 1072620476 /nfs/dbraw/zinc/62/04/76/1072620476.db2.gz IWEDOGUMXBMJHJ-NTWBYJAHSA-N 0 0 607.375 9.837 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409151318 1072623435 /nfs/dbraw/zinc/62/34/35/1072623435.db2.gz BCTDZRNQGOWDHJ-XFAGBWLFSA-N 0 0 593.718 8.418 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409151315 1072624918 /nfs/dbraw/zinc/62/49/18/1072624918.db2.gz BCTDZRNQGOWDHJ-RHGYRFJNSA-N 0 0 593.718 8.418 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151062 1072625572 /nfs/dbraw/zinc/62/55/72/1072625572.db2.gz GIUSWTSELBSLJC-IMWIBFENSA-N 0 0 593.718 8.418 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)SC1=S ZINC000409375959 1072631151 /nfs/dbraw/zinc/63/11/51/1072631151.db2.gz RJPKQCZTCBEJCG-FMCGGJTJSA-N 0 0 517.503 7.201 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409375619 1072631676 /nfs/dbraw/zinc/63/16/76/1072631676.db2.gz NCOKVDCYMREIPO-WQRHYEAKSA-N 0 0 570.430 5.398 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)c(Cl)c1 ZINC000409149968 1072632539 /nfs/dbraw/zinc/63/25/39/1072632539.db2.gz WQTMRAVFBWCILK-WQRHYEAKSA-N 0 0 521.472 6.592 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149757 1072633520 /nfs/dbraw/zinc/63/35/20/1072633520.db2.gz PPXSHLHSPVUEKU-NUGSKGIGSA-N 0 0 682.540 7.617 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149673 1072635031 /nfs/dbraw/zinc/63/50/31/1072635031.db2.gz MWTFMDRHMCNULN-MYKKPKGFSA-N 0 0 601.563 6.616 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409149693 1072635066 /nfs/dbraw/zinc/63/50/66/1072635066.db2.gz NOFKYGISCVMVID-ZMOGYAJESA-N 0 0 616.548 6.264 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409149452 1072635631 /nfs/dbraw/zinc/63/56/31/1072635631.db2.gz GMMRFFZBMBJWPU-WSDLNYQXSA-N 0 0 547.460 6.566 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409149537 1072636082 /nfs/dbraw/zinc/63/60/82/1072636082.db2.gz JEIHLUHVQTZQFR-UNOMPAQXSA-N 0 0 569.930 6.145 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409149513 1072636110 /nfs/dbraw/zinc/63/61/10/1072636110.db2.gz INWXBANGTKQBBD-CCVNUDIWSA-N 0 0 663.659 7.639 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409149546 1072636590 /nfs/dbraw/zinc/63/65/90/1072636590.db2.gz JLRSXESZMQFOPN-RGVLZGJSSA-N 0 0 529.983 5.371 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409149219 1072637687 /nfs/dbraw/zinc/63/76/87/1072637687.db2.gz ZEQSLYJZFPJQDO-AUFPJITRSA-N 0 0 503.693 5.486 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409373528 1072641856 /nfs/dbraw/zinc/64/18/56/1072641856.db2.gz WXXQMLMDJNWGDC-PXNMLYILSA-N 0 0 547.283 6.093 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OCC ZINC000409148532 1072642911 /nfs/dbraw/zinc/64/29/11/1072642911.db2.gz ZRPNHUKPHJWHCI-KEBDBYFISA-N 0 0 521.104 5.586 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409148340 1072643418 /nfs/dbraw/zinc/64/34/18/1072643418.db2.gz YQLBAIOXRCGNFL-CFRMEGHHSA-N 0 0 553.503 6.786 40 10 KKCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409372807 1072643951 /nfs/dbraw/zinc/64/39/51/1072643951.db2.gz NPWVIOQUUGXPOZ-CIAFOILYSA-N 0 0 573.483 5.949 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409372911 1072644497 /nfs/dbraw/zinc/64/44/97/1072644497.db2.gz PZASFPFDOFJDLJ-LSHDLFTRSA-N 0 0 612.919 7.311 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S ZINC000409372643 1072645012 /nfs/dbraw/zinc/64/50/12/1072645012.db2.gz OHKMEZTVTARTDN-AUWJEWJLSA-N 0 0 550.230 5.536 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1CCC1CCCC1 ZINC000409148064 1072645319 /nfs/dbraw/zinc/64/53/19/1072645319.db2.gz OJYZJUWUSXHFKT-ITYLOYPMSA-N 0 0 525.139 7.545 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)SC1=S ZINC000409372414 1072645438 /nfs/dbraw/zinc/64/54/38/1072645438.db2.gz NBAIXJFQQUTWFE-LPYMAVHISA-N 0 0 524.454 7.238 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409147674 1072646941 /nfs/dbraw/zinc/64/69/41/1072646941.db2.gz ZHTGIGWSTUPCAL-LICLKQGHSA-N 0 0 588.876 5.207 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147552 1072647921 /nfs/dbraw/zinc/64/79/21/1072647921.db2.gz XHFLSBAHTGRSBN-AUEPDCJTSA-N 0 0 680.459 7.379 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409371917 1072648253 /nfs/dbraw/zinc/64/82/53/1072648253.db2.gz MLKOPJJCBBQDMU-SSDVNMTOSA-N 0 0 734.852 8.167 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000409371891 1072648317 /nfs/dbraw/zinc/64/83/17/1072648317.db2.gz JICIPQHPASEWPD-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S ZINC000409371537 1072648670 /nfs/dbraw/zinc/64/86/70/1072648670.db2.gz WYYYHGDENFIZKH-HYARGMPZSA-N 0 0 560.484 6.389 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)c(Cl)c1 ZINC000409147471 1072649536 /nfs/dbraw/zinc/64/95/36/1072649536.db2.gz YYMBFYMATXYCCY-LPYMAVHISA-N 0 0 513.015 5.913 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166158 1072650502 /nfs/dbraw/zinc/65/05/02/1072650502.db2.gz BSNQUYHOXFYORA-MVYHEMRASA-N 0 0 604.328 8.695 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S ZINC000409370795 1072651879 /nfs/dbraw/zinc/65/18/79/1072651879.db2.gz DYLJBGHVBLIDMB-NSIKDUERSA-N 0 0 566.229 5.242 40 10 KKCBRN COc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409370302 1072655314 /nfs/dbraw/zinc/65/53/14/1072655314.db2.gz OLQLKTHNDKOEMD-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000409369627 1072657422 /nfs/dbraw/zinc/65/74/22/1072657422.db2.gz SDXUFZTYAMQZKV-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409369408 1072659817 /nfs/dbraw/zinc/65/98/17/1072659817.db2.gz MQSJMMYMNKWSCR-UBKPWBPPSA-N 0 0 621.318 5.254 40 10 KKCBRN CCCn1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000409368962 1072661983 /nfs/dbraw/zinc/66/19/83/1072661983.db2.gz UYXAONRSSYWWIT-GRSHGNNSSA-N 0 0 505.452 6.296 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S ZINC000409368786 1072662655 /nfs/dbraw/zinc/66/26/55/1072662655.db2.gz MLCOIXMZRDAYLP-AWQFTUOYSA-N 0 0 606.425 6.540 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163858 1072663177 /nfs/dbraw/zinc/66/31/77/1072663177.db2.gz YTWMMQXYIDOFRT-IMWIBFENSA-N 0 0 541.283 7.626 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409368432 1072664140 /nfs/dbraw/zinc/66/41/40/1072664140.db2.gz VMUYSYNPXXBRHI-UFFVCSGVSA-N 0 0 720.825 7.777 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S ZINC000409368706 1072664327 /nfs/dbraw/zinc/66/43/27/1072664327.db2.gz IXBDOOWBMGSKPS-HYARGMPZSA-N 0 0 560.484 6.389 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409368133 1072665454 /nfs/dbraw/zinc/66/54/54/1072665454.db2.gz TVVAMPXFBBKUEH-MXAYSNPKSA-N 0 0 645.590 7.081 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409368124 1072667192 /nfs/dbraw/zinc/66/71/92/1072667192.db2.gz SCZLHJRKDVBQKV-IUXPMGMMSA-N 0 0 590.894 5.535 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409378871 1072673591 /nfs/dbraw/zinc/67/35/91/1072673591.db2.gz SUXWXOQUSPFKGQ-UHFFFAOYSA-N 0 0 626.463 6.059 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409161582 1072676151 /nfs/dbraw/zinc/67/61/51/1072676151.db2.gz WCKQWFSZFVOIQK-RHGYRFJNSA-N 0 0 599.274 9.189 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409161584 1072676213 /nfs/dbraw/zinc/67/62/13/1072676213.db2.gz WCKQWFSZFVOIQK-YTZAWJCFSA-N 0 0 599.274 9.189 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409161537 1072677191 /nfs/dbraw/zinc/67/71/91/1072677191.db2.gz VGDCSHAEBSWUFW-LUOAPIJWSA-N 0 0 628.534 6.822 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161204 1072678801 /nfs/dbraw/zinc/67/88/01/1072678801.db2.gz KVQKTUOMGACOGP-GATIEOLUSA-N 0 0 643.765 5.128 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409160841 1072680423 /nfs/dbraw/zinc/68/04/23/1072680423.db2.gz ZRWZSINJAIDUBE-NOMHHCBYSA-N 0 0 603.340 8.265 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(I)c2)SC1=S ZINC000409386970 1072682973 /nfs/dbraw/zinc/68/29/73/1072682973.db2.gz PESUERGPEMIDLL-BKUYFWCQSA-N 0 0 531.440 6.245 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409160280 1072684002 /nfs/dbraw/zinc/68/40/02/1072684002.db2.gz FUHBCUBUDNVHQX-FYJGNVAPSA-N 0 0 527.023 5.631 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1 ZINC000409160313 1072684019 /nfs/dbraw/zinc/68/40/19/1072684019.db2.gz GLPIRPCNKYLZCJ-DHRITJCHSA-N 0 0 674.626 6.718 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409384627 1072696574 /nfs/dbraw/zinc/69/65/74/1072696574.db2.gz DJODCXCESLYLST-NDZAJKAJSA-N 0 0 547.680 6.382 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)o1 ZINC000409384273 1072699844 /nfs/dbraw/zinc/69/98/44/1072699844.db2.gz AEHREECKANOGPR-RGVLZGJSSA-N 0 0 515.385 5.473 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)ccc1Cl ZINC000409167009 1072701095 /nfs/dbraw/zinc/70/10/95/1072701095.db2.gz GXQHKNKCODSFQL-ROTLSHHCSA-N 0 0 634.969 7.686 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)N2 ZINC000409166915 1072702402 /nfs/dbraw/zinc/70/24/02/1072702402.db2.gz HAEMCJWVVRSMKF-FUMQJTLXSA-N 0 0 589.313 7.957 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S)c1ccccc1 ZINC000409176773 1072707225 /nfs/dbraw/zinc/70/72/25/1072707225.db2.gz XGTJVHFWOXWEJC-UDWIEESQSA-N 0 0 545.520 5.952 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1F ZINC000409382340 1072707430 /nfs/dbraw/zinc/70/74/30/1072707430.db2.gz SERFAZPPESVLOE-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177087 1072708580 /nfs/dbraw/zinc/70/85/80/1072708580.db2.gz ABALITGMYPINTP-AFUMVMLFSA-N 0 0 506.023 7.617 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409381080 1072715086 /nfs/dbraw/zinc/71/50/86/1072715086.db2.gz DUAGVMHZGSENDN-ODLFYWEKSA-N 0 0 521.458 5.086 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409175275 1072716988 /nfs/dbraw/zinc/71/69/88/1072716988.db2.gz ZQNAXUGNUGQKIH-SWYRRKHMSA-N 0 0 510.859 7.825 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409175268 1072717069 /nfs/dbraw/zinc/71/70/69/1072717069.db2.gz YSNYYNJNVYNHNE-SSDVNMTOSA-N 0 0 623.909 7.533 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)ccc1Cl ZINC000409174706 1072719924 /nfs/dbraw/zinc/71/99/24/1072719924.db2.gz OBGFCBNRZFDQRC-BUVRLJJBSA-N 0 0 556.084 5.881 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409173862 1072725133 /nfs/dbraw/zinc/72/51/33/1072725133.db2.gz OCUHWNHPHAXAOF-YDZHTSKRSA-N 0 0 500.016 6.863 40 10 KKCBRN COC(=O)c1ccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c3ccccc32)o1 ZINC000409393143 1072725316 /nfs/dbraw/zinc/72/53/16/1072725316.db2.gz PFAADLMSWBFUGS-UHFFFAOYSA-N 0 0 561.619 5.818 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409173573 1072726760 /nfs/dbraw/zinc/72/67/60/1072726760.db2.gz JWHZGZNILDYYTC-JXQFQVJHSA-N 0 0 559.273 7.765 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409389913 1072731091 /nfs/dbraw/zinc/73/10/91/1072731091.db2.gz CWDNUQLYIKANIL-MWLSYYOVSA-N 0 0 523.633 6.199 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409172322 1072735344 /nfs/dbraw/zinc/73/53/44/1072735344.db2.gz CIVOZQOMINJIEB-YTZAWJCFSA-N 0 0 628.163 9.072 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409172319 1072735423 /nfs/dbraw/zinc/73/54/23/1072735423.db2.gz CIVOZQOMINJIEB-GGUMNFRJSA-N 0 0 628.163 9.072 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409172321 1072735432 /nfs/dbraw/zinc/73/54/32/1072735432.db2.gz CIVOZQOMINJIEB-XFAGBWLFSA-N 0 0 628.163 9.072 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)o1 ZINC000409388449 1072737508 /nfs/dbraw/zinc/73/75/08/1072737508.db2.gz IJHWLYGSMYPDFQ-KEBDBYFISA-N 0 0 562.385 5.315 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)SC1=S ZINC000409387764 1072742221 /nfs/dbraw/zinc/74/22/21/1072742221.db2.gz QJWOZJCJWFKWDQ-BKUYFWCQSA-N 0 0 514.466 6.411 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409170095 1072747052 /nfs/dbraw/zinc/74/70/52/1072747052.db2.gz TYYQVZDCHVUWDF-OGLMXYFKSA-N 0 0 543.689 6.404 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409169648 1072748813 /nfs/dbraw/zinc/74/88/13/1072748813.db2.gz QQPBOVHXBKEFAN-HHJKRLRDSA-N 0 0 571.855 7.433 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409169636 1072748858 /nfs/dbraw/zinc/74/88/58/1072748858.db2.gz QMCCZTYRGGMGSA-NHDPSOOVSA-N 0 0 578.410 6.550 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409169527 1072749678 /nfs/dbraw/zinc/74/96/78/1072749678.db2.gz RKTHKFYVHKZGMX-GGUMNFRJSA-N 0 0 610.719 8.732 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409399243 1072750149 /nfs/dbraw/zinc/75/01/49/1072750149.db2.gz GUNZYWQPKQJFNS-YSMPRRRNSA-N 0 0 532.427 6.441 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409169015 1072751602 /nfs/dbraw/zinc/75/16/02/1072751602.db2.gz OTTJWFSPPSAYDF-OXYPMYLPSA-N 0 0 607.375 9.837 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168471 1072754850 /nfs/dbraw/zinc/75/48/50/1072754850.db2.gz MSLNWDVPVUBPGA-FENDNCTDSA-N 0 0 634.612 10.130 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409167534 1072759318 /nfs/dbraw/zinc/75/93/18/1072759318.db2.gz IZUNMKMQFQXLSY-WZOHSFFVSA-N 0 0 537.410 6.780 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409167531 1072759500 /nfs/dbraw/zinc/75/95/00/1072759500.db2.gz IZUNMKMQFQXLSY-UMEGOILYSA-N 0 0 537.410 6.780 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167493 1072760666 /nfs/dbraw/zinc/76/06/66/1072760666.db2.gz IQLNVYHKZKBIAR-UOMUQXIMSA-N 0 0 572.930 9.184 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186228 1072762418 /nfs/dbraw/zinc/76/24/18/1072762418.db2.gz ZDNSPSXSEQYALX-XAKAHBONSA-N 0 0 908.656 10.179 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186112 1072763631 /nfs/dbraw/zinc/76/36/31/1072763631.db2.gz WUKCNBJDEOUWAF-QARBUXBVSA-N 0 0 703.864 8.812 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409186139 1072764162 /nfs/dbraw/zinc/76/41/62/1072764162.db2.gz XKZFRRQLJXNHFN-JVWAILMASA-N 0 0 706.431 8.162 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186130 1072764194 /nfs/dbraw/zinc/76/41/94/1072764194.db2.gz XCLQLQUMVKSWPF-NYYQTREMSA-N 0 0 762.726 8.430 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185956 1072765343 /nfs/dbraw/zinc/76/53/43/1072765343.db2.gz TWOSAEZYQKEJEC-LPNHJGGPSA-N 0 0 642.575 6.548 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185989 1072765939 /nfs/dbraw/zinc/76/59/39/1072765939.db2.gz ULVHMSBBFOEYBR-NYYQTREMSA-N 0 0 701.820 7.807 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186041 1072766294 /nfs/dbraw/zinc/76/62/94/1072766294.db2.gz VRVSSDGMFCIDIL-NJBIXYFGSA-N 0 0 737.632 8.011 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186034 1072766403 /nfs/dbraw/zinc/76/64/03/1072766403.db2.gz VPOVFUBHTZDTGX-OOIBJXBFSA-N 0 0 606.704 6.296 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185806 1072766677 /nfs/dbraw/zinc/76/66/77/1072766677.db2.gz QIWAINUJXCOTSM-NRNSZXCESA-N 0 0 814.145 8.917 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185886 1072767605 /nfs/dbraw/zinc/76/76/05/1072767605.db2.gz RYPLBZDOYZQIAF-XAKAHBONSA-N 0 0 772.754 10.119 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185881 1072767627 /nfs/dbraw/zinc/76/76/27/1072767627.db2.gz RWKSBRGZLXXUIO-SOSGBDQYSA-N 0 0 668.863 8.104 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185651 1072768522 /nfs/dbraw/zinc/76/85/22/1072768522.db2.gz NZYTZWSJYBMAGU-BSPUBTSWSA-N 0 0 901.561 7.231 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185761 1072769253 /nfs/dbraw/zinc/76/92/53/1072769253.db2.gz PRSQIFJTYOVJOM-FSPSSUGOSA-N 0 0 718.275 8.321 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185752 1072769330 /nfs/dbraw/zinc/76/93/30/1072769330.db2.gz PNJRNDJDHAPSHP-YLGMFMMFSA-N 0 0 712.872 7.582 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185767 1072769347 /nfs/dbraw/zinc/76/93/47/1072769347.db2.gz PUCCUPKPJFVVSP-BRBBWVIMSA-N 0 0 700.655 7.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185544 1072769845 /nfs/dbraw/zinc/76/98/45/1072769845.db2.gz MHMYZTAQJYRPAM-HGTXDYBSSA-N 0 0 844.171 8.925 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185565 1072770272 /nfs/dbraw/zinc/77/02/72/1072770272.db2.gz MOFPVQWJOGAQOM-IOSUBWPCSA-N 0 0 736.265 8.460 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409403574 1072770629 /nfs/dbraw/zinc/77/06/29/1072770629.db2.gz ACECFLYEBYKPIX-NDENLUEZSA-N 0 0 511.347 5.027 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185341 1072770683 /nfs/dbraw/zinc/77/06/83/1072770683.db2.gz KSWFHHFPKDIFML-GXKDRIIESA-N 0 0 766.747 9.364 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185388 1072771193 /nfs/dbraw/zinc/77/11/93/1072771193.db2.gz LBEROZSEKLWTSD-IXKGMLKDSA-N 0 0 586.717 6.561 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184902 1072773176 /nfs/dbraw/zinc/77/31/76/1072773176.db2.gz ILYDSOPXIBAASG-OBWDPHAXSA-N 0 0 903.593 8.934 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184955 1072773556 /nfs/dbraw/zinc/77/35/56/1072773556.db2.gz ZFFNWDAHJXSCAD-WFQVFFQTSA-N 0 0 892.643 9.969 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409185004 1072773923 /nfs/dbraw/zinc/77/39/23/1072773923.db2.gz PDGFFBCHJKEYDK-TWKHWXDSSA-N 0 0 679.622 7.201 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409184476 1072775843 /nfs/dbraw/zinc/77/58/43/1072775843.db2.gz XKMOYZNVAWYIBM-JJFYIABZSA-N 0 0 611.885 7.077 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184318 1072777271 /nfs/dbraw/zinc/77/72/71/1072777271.db2.gz GBDXGQBEOMJVOS-OURMJXGFSA-N 0 0 616.570 7.387 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184229 1072778539 /nfs/dbraw/zinc/77/85/39/1072778539.db2.gz FXIHHVXGEOTNNZ-ISMPAJQOSA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184059 1072778973 /nfs/dbraw/zinc/77/89/73/1072778973.db2.gz DYADFYHYYAEYRI-DKDMBQFYSA-N 0 0 736.721 9.274 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184113 1072779064 /nfs/dbraw/zinc/77/90/64/1072779064.db2.gz FGTCJSUMHPUOFB-ODCPUKCESA-N 0 0 652.729 6.005 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409183899 1072779886 /nfs/dbraw/zinc/77/98/86/1072779886.db2.gz WDTQORAYSWGRCU-QGMBQPNBSA-N 0 0 540.400 6.658 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184021 1072780413 /nfs/dbraw/zinc/78/04/13/1072780413.db2.gz DUQZSRJIXLBOCY-BRBBWVIMSA-N 0 0 700.655 7.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183863 1072781347 /nfs/dbraw/zinc/78/13/47/1072781347.db2.gz UHGDEDNTYUTMTJ-PGUHYHFASA-N 0 0 885.693 8.302 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183560 1072783479 /nfs/dbraw/zinc/78/34/79/1072783479.db2.gz BVQYNGHTLSNYPB-MLWVTIFLSA-N 0 0 790.780 9.128 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183179 1072784824 /nfs/dbraw/zinc/78/48/24/1072784824.db2.gz ASJVZMKAEIGMCZ-WFQVFFQTSA-N 0 0 776.311 8.440 40 10 KKCBRN CCN1c2ccccc2S/C1=C\C=C\C1=CC(c2ccccc2)=NC2=S=C(C(=O)C(F)(F)F)C(=O)N21 ZINC000409415793 1072785274 /nfs/dbraw/zinc/78/52/74/1072785274.db2.gz OFPDLLQTFJTZIO-HCYZRJLASA-N 0 0 525.577 5.370 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183234 1072785300 /nfs/dbraw/zinc/78/53/00/1072785300.db2.gz QRJBHNYQDBPWHS-DKDMBQFYSA-N 0 0 841.622 9.192 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182466 1072790561 /nfs/dbraw/zinc/79/05/61/1072790561.db2.gz LNEGFUPIILQTNT-FIACUALZSA-N 0 0 725.314 9.045 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182451 1072790674 /nfs/dbraw/zinc/79/06/74/1072790674.db2.gz LBYLGFVGTKAUTB-JFKZERDTSA-N 0 0 801.590 9.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182294 1072790953 /nfs/dbraw/zinc/79/09/53/1072790953.db2.gz KFPNACLUHVWQKC-HDORNCSZSA-N 0 0 794.743 8.959 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409181652 1072796017 /nfs/dbraw/zinc/79/60/17/1072796017.db2.gz FOABWVOLZWJOOD-HMAPJEAMSA-N 0 0 602.475 5.425 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409181266 1072798376 /nfs/dbraw/zinc/79/83/76/1072798376.db2.gz AMOUMDOJSKYEHQ-KGENOOAVSA-N 0 0 602.475 5.425 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409180601 1072803275 /nfs/dbraw/zinc/80/32/75/1072803275.db2.gz XUVLTSRNAJDTKS-IUXPMGMMSA-N 0 0 516.399 5.489 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180631 1072803737 /nfs/dbraw/zinc/80/37/37/1072803737.db2.gz YHQYGXKYZFMDLW-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409178811 1072814162 /nfs/dbraw/zinc/81/41/62/1072814162.db2.gz IRHCXNIOZKVCMR-FRKPEAEDSA-N 0 0 516.797 5.199 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178804 1072814258 /nfs/dbraw/zinc/81/42/58/1072814258.db2.gz INDRAXIDNRUBOI-DNTJNYDQSA-N 0 0 633.826 8.367 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409178313 1072818403 /nfs/dbraw/zinc/81/84/03/1072818403.db2.gz KOPZFWQCPUGYLW-AUEPDCJTSA-N 0 0 568.906 8.169 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409196735 1072828953 /nfs/dbraw/zinc/82/89/53/1072828953.db2.gz WUKVFEYXUZVSJL-HYARGMPZSA-N 0 0 543.508 6.383 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCC ZINC000409196608 1072829707 /nfs/dbraw/zinc/82/97/07/1072829707.db2.gz WSSJLQBRQOUILA-GZTJUZNOSA-N 0 0 528.437 5.044 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S ZINC000409195034 1072839081 /nfs/dbraw/zinc/83/90/81/1072839081.db2.gz OUKKRWRUZXGAPF-HAHDFKILSA-N 0 0 518.616 5.205 40 10 KKCBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409193986 1072846028 /nfs/dbraw/zinc/84/60/28/1072846028.db2.gz JQDZHERMAQBJHX-KZKMUKRCSA-N 0 0 565.519 6.797 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409190354 1072869771 /nfs/dbraw/zinc/86/97/71/1072869771.db2.gz XLSRKZJDGXRIRU-XGLKJEJJSA-N 0 0 730.272 5.856 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409188394 1072883163 /nfs/dbraw/zinc/88/31/63/1072883163.db2.gz YWTPFLKXGGWSKK-UHFFFAOYSA-N 0 0 521.642 6.241 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409207239 1072886150 /nfs/dbraw/zinc/88/61/50/1072886150.db2.gz UJKUWLYCUUEJIW-FOKLQQMPSA-N 0 0 543.022 6.250 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409206868 1072888758 /nfs/dbraw/zinc/88/87/58/1072888758.db2.gz MOGUHKPPBRBFQC-LPYMAVHISA-N 0 0 605.373 7.595 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409206250 1072892991 /nfs/dbraw/zinc/89/29/91/1072892991.db2.gz IRHCAOFZHQAPFL-ZWSORDCHSA-N 0 0 512.440 5.350 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1 ZINC000409206022 1072894969 /nfs/dbraw/zinc/89/49/69/1072894969.db2.gz LONZNTUNYHDWIV-XDHOZWIPSA-N 0 0 504.511 5.520 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409205832 1072895809 /nfs/dbraw/zinc/89/58/09/1072895809.db2.gz GCDOLPLHIBGHBZ-NDENLUEZSA-N 0 0 607.485 5.539 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409205462 1072899045 /nfs/dbraw/zinc/89/90/45/1072899045.db2.gz NCVRMMOYRCMWIX-LPYMAVHISA-N 0 0 577.953 7.036 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409204212 1072905998 /nfs/dbraw/zinc/90/59/98/1072905998.db2.gz CPBBHOAAQOMQTQ-GIJQJNRQSA-N 0 0 566.861 6.628 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409203972 1072907472 /nfs/dbraw/zinc/90/74/72/1072907472.db2.gz AJAFERBQKAQTFE-FSJBWODESA-N 0 0 533.502 6.927 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409201787 1072916561 /nfs/dbraw/zinc/91/65/61/1072916561.db2.gz PWFSJZLJABTKBI-FYJGNVAPSA-N 0 0 529.481 5.992 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409199727 1072924792 /nfs/dbraw/zinc/92/47/92/1072924792.db2.gz JMJCLYACAKYHPP-UQRQXUALSA-N 0 0 512.653 8.237 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409198761 1072928944 /nfs/dbraw/zinc/92/89/44/1072928944.db2.gz KPTVUPCBLSYXIN-OGLMXYFKSA-N 0 0 688.587 7.552 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409198565 1072929390 /nfs/dbraw/zinc/92/93/90/1072929390.db2.gz CBHCJDDRIYKRLR-WQRHYEAKSA-N 0 0 514.382 5.950 40 10 KKCBRN O=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409198547 1072929477 /nfs/dbraw/zinc/92/94/77/1072929477.db2.gz BXXHPQKIZVBOHK-UHFFFAOYSA-N 0 0 543.648 6.469 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC ZINC000409198363 1072930100 /nfs/dbraw/zinc/93/01/00/1072930100.db2.gz DSTQSWZRKVUGJI-WQRHYEAKSA-N 0 0 604.329 6.647 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)c2C)cc1 ZINC000409197965 1072932850 /nfs/dbraw/zinc/93/28/50/1072932850.db2.gz STKZWNDJRQNFJF-XKZIYDEJSA-N 0 0 512.056 5.611 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409197528 1072935168 /nfs/dbraw/zinc/93/51/68/1072935168.db2.gz HXWLLMRPRCUGLG-MYKKPKGFSA-N 0 0 584.557 6.985 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1F ZINC000409207423 1072942269 /nfs/dbraw/zinc/94/22/69/1072942269.db2.gz WQMAKRQVMXNOIO-WSDLNYQXSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409225833 1072977062 /nfs/dbraw/zinc/97/70/62/1072977062.db2.gz LXRQDJZPUMUYNR-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409224484 1072982729 /nfs/dbraw/zinc/98/27/29/1072982729.db2.gz HVTWARZSIJVGEZ-XODNFHPESA-N 0 0 624.521 7.794 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222616 1072992223 /nfs/dbraw/zinc/99/22/23/1072992223.db2.gz CQIPTLZFQFMNHD-UHFFFAOYSA-N 0 0 701.517 6.599 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000409221921 1072996484 /nfs/dbraw/zinc/99/64/84/1072996484.db2.gz VUXXVFQWLSBGQO-WGOQTCKBSA-N 0 0 511.603 5.931 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409221663 1072998687 /nfs/dbraw/zinc/99/86/87/1072998687.db2.gz UNQGQYGRXQYTBR-XKZIYDEJSA-N 0 0 573.490 5.860 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409220474 1073005102 /nfs/dbraw/zinc/00/51/02/1073005102.db2.gz AECPHKUDJRPMFW-HMAPJEAMSA-N 0 0 585.501 5.890 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219466 1073008160 /nfs/dbraw/zinc/00/81/60/1073008160.db2.gz MXZZHNDZEYJVCH-CVKSISIWSA-N 0 0 690.934 6.374 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409218985 1073010652 /nfs/dbraw/zinc/01/06/52/1073010652.db2.gz ZGLGQEIUNGTDQY-LQKURTRISA-N 0 0 556.569 5.483 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000409229834 1073018509 /nfs/dbraw/zinc/01/85/09/1073018509.db2.gz AFTSRRBJUDESQD-WSDLNYQXSA-N 0 0 511.409 5.495 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)cc1 ZINC000409229043 1073023441 /nfs/dbraw/zinc/02/34/41/1073023441.db2.gz IVYXZMQCELNWBB-STBIYBPSSA-N 0 0 646.563 7.119 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409228820 1073025750 /nfs/dbraw/zinc/02/57/50/1073025750.db2.gz FQJREGNDISKKBD-YSMPRRRNSA-N 0 0 581.159 7.396 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409228506 1073027722 /nfs/dbraw/zinc/02/77/22/1073027722.db2.gz AVJLNIAQGBWSSK-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409228199 1073028620 /nfs/dbraw/zinc/02/86/20/1073028620.db2.gz VUWPVVLKSUYAOP-CFRMEGHHSA-N 0 0 583.087 5.886 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000409228033 1073028976 /nfs/dbraw/zinc/02/89/76/1073028976.db2.gz SSMIJJAKUKMNKG-MYKKPKGFSA-N 0 0 553.061 5.796 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409227838 1073029847 /nfs/dbraw/zinc/02/98/47/1073029847.db2.gz RSXSKJLWUUUXCB-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)cc1 ZINC000409237254 1073032948 /nfs/dbraw/zinc/03/29/48/1073032948.db2.gz JARDBTMTTXESFM-IWIPYMOSSA-N 0 0 581.557 7.052 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409236963 1073035384 /nfs/dbraw/zinc/03/53/84/1073035384.db2.gz INRQDSSAYVIHPX-MYYYXRDXSA-N 0 0 553.105 6.118 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409236740 1073035702 /nfs/dbraw/zinc/03/57/02/1073035702.db2.gz GYYQURIGVMSKPL-NKVSQWTQSA-N 0 0 584.333 7.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409236644 1073037234 /nfs/dbraw/zinc/03/72/34/1073037234.db2.gz SNCGZSPYQAVHEH-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409236707 1073037484 /nfs/dbraw/zinc/03/74/84/1073037484.db2.gz GNXOCACLRYFMCL-MYYYXRDXSA-N 0 0 567.132 6.951 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)SC1=S ZINC000409236705 1073037958 /nfs/dbraw/zinc/03/79/58/1073037958.db2.gz GNBNFHDVRPBJFM-WSVATBPTSA-N 0 0 590.348 6.393 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409236487 1073038454 /nfs/dbraw/zinc/03/84/54/1073038454.db2.gz SEKOIZSEWDTMEL-SDPDQUOZSA-N 0 0 553.105 6.719 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409236335 1073039005 /nfs/dbraw/zinc/03/90/05/1073039005.db2.gz DZZCPNHZIKQQPK-KQWNVCNZSA-N 0 0 583.529 5.919 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409236058 1073040334 /nfs/dbraw/zinc/04/03/34/1073040334.db2.gz RKOSBQBCDZMGPF-OYKKKHCWSA-N 0 0 572.630 6.205 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409235867 1073041312 /nfs/dbraw/zinc/04/13/12/1073041312.db2.gz CUOIIFVBJZFKCZ-STBIYBPSSA-N 0 0 570.487 6.837 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OCC)c3)SC2=S)cc1 ZINC000409235687 1073043706 /nfs/dbraw/zinc/04/37/06/1073043706.db2.gz PTHAGASINGUFPQ-PKAZHMFMSA-N 0 0 576.740 6.833 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409235336 1073045162 /nfs/dbraw/zinc/04/51/62/1073045162.db2.gz BIWJFGHKKATCFY-QFEZKATASA-N 0 0 568.120 6.146 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409235062 1073046396 /nfs/dbraw/zinc/04/63/96/1073046396.db2.gz NRFCQSKIEJVHBM-JAIQZWGSSA-N 0 0 583.957 6.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409235025 1073046447 /nfs/dbraw/zinc/04/64/47/1073046447.db2.gz AQYHOXNSHDHHAV-IWIPYMOSSA-N 0 0 554.093 5.838 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409234261 1073050753 /nfs/dbraw/zinc/05/07/53/1073050753.db2.gz JQTLGIYCYGNAGO-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409234104 1073051148 /nfs/dbraw/zinc/05/11/48/1073051148.db2.gz LXTUKKSOIJEGJT-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(CC)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409233550 1073054472 /nfs/dbraw/zinc/05/44/72/1073054472.db2.gz SVACEOSVNHIACU-IMRQLAEWSA-N 0 0 562.713 6.470 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000409233389 1073055434 /nfs/dbraw/zinc/05/54/34/1073055434.db2.gz VQTUHZMOWSVFGQ-OQLNFPPLSA-N 0 0 581.557 7.046 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409233294 1073056477 /nfs/dbraw/zinc/05/64/77/1073056477.db2.gz FHRUZCRFLAFFKN-LQKURTRISA-N 0 0 606.531 7.655 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1 ZINC000409233348 1073056784 /nfs/dbraw/zinc/05/67/84/1073056784.db2.gz VCYPYKIAKHKJGZ-LPYMAVHISA-N 0 0 523.998 5.209 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409232679 1073059212 /nfs/dbraw/zinc/05/92/12/1073059212.db2.gz BGVLMJLKSLYIPT-IUXPMGMMSA-N 0 0 576.321 6.003 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409232423 1073061206 /nfs/dbraw/zinc/06/12/06/1073061206.db2.gz HOLWNDHCWGOTGB-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1 ZINC000409232429 1073061222 /nfs/dbraw/zinc/06/12/22/1073061222.db2.gz HRDGNKPMMNRLGM-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409231940 1073063106 /nfs/dbraw/zinc/06/31/06/1073063106.db2.gz GJXZRKNTOFMVLI-YDZHTSKRSA-N 0 0 510.808 7.056 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409230322 1073069915 /nfs/dbraw/zinc/06/99/15/1073069915.db2.gz BYQLQQPMAABSFQ-RMORIDSASA-N 0 0 557.024 5.627 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409230336 1073070128 /nfs/dbraw/zinc/07/01/28/1073070128.db2.gz CBJYCZIEJWJNLW-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409237307 1073071401 /nfs/dbraw/zinc/07/14/01/1073071401.db2.gz HWLCLRHVVFAOOQ-UCQKPKSFSA-N 0 0 557.093 6.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409247017 1073072501 /nfs/dbraw/zinc/07/25/01/1073072501.db2.gz ARYFUWMGPDUPDP-UCQKPKSFSA-N 0 0 524.620 5.106 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409246896 1073074065 /nfs/dbraw/zinc/07/40/65/1073074065.db2.gz KSXVDMXXDRVCGA-ONUIUJJFSA-N 0 0 564.685 5.916 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409246087 1073078390 /nfs/dbraw/zinc/07/83/90/1073078390.db2.gz DRNYWXROYSVYQT-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409245679 1073082130 /nfs/dbraw/zinc/08/21/30/1073082130.db2.gz XLVHSVZMXYLYFZ-MXAYSNPKSA-N 0 0 567.132 7.006 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409245509 1073082770 /nfs/dbraw/zinc/08/27/70/1073082770.db2.gz UWSWRJLRBRUYAY-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409245434 1073084184 /nfs/dbraw/zinc/08/41/84/1073084184.db2.gz SWOXZYZKQWHWCF-ZMFRSBBQSA-N 0 0 562.669 5.460 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409245231 1073084521 /nfs/dbraw/zinc/08/45/21/1073084521.db2.gz PKJXYKQELQGRRL-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409245202 1073084658 /nfs/dbraw/zinc/08/46/58/1073084658.db2.gz OWVZPSRPSQMMJJ-JJFYIABZSA-N 0 0 563.484 6.404 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409245480 1073084767 /nfs/dbraw/zinc/08/47/67/1073084767.db2.gz ULWASEAEHRNUAQ-GMPVXANTSA-N 0 0 573.523 6.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409245065 1073085416 /nfs/dbraw/zinc/08/54/16/1073085416.db2.gz MXRCJXJYXLOECA-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409244945 1073086174 /nfs/dbraw/zinc/08/61/74/1073086174.db2.gz KXOCPGUADAUEJE-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1 ZINC000409244764 1073086816 /nfs/dbraw/zinc/08/68/16/1073086816.db2.gz IIMUYGGZDBTHMI-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409244826 1073086949 /nfs/dbraw/zinc/08/69/49/1073086949.db2.gz JFKJJZKMCARHTP-IWIPYMOSSA-N 0 0 587.645 6.203 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409244776 1073087000 /nfs/dbraw/zinc/08/70/00/1073087000.db2.gz INNSWRQKGIRILX-QRVIBDJDSA-N 0 0 576.593 6.667 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409243576 1073092401 /nfs/dbraw/zinc/09/24/01/1073092401.db2.gz SSRNAJGCJYNCAV-LIAPLOTISA-N 0 0 567.132 7.027 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409243306 1073092854 /nfs/dbraw/zinc/09/28/54/1073092854.db2.gz XHJNDPLOVHTUKD-FJEPWZHXSA-N 0 0 557.159 8.452 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409243225 1073093575 /nfs/dbraw/zinc/09/35/75/1073093575.db2.gz QSULLEYGICLVKY-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409242883 1073094817 /nfs/dbraw/zinc/09/48/17/1073094817.db2.gz WMAUXSGYDALECL-MTJSOVHGSA-N 0 0 573.490 5.778 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409242308 1073097339 /nfs/dbraw/zinc/09/73/39/1073097339.db2.gz WTHRVKDWFIBBNM-HMAPJEAMSA-N 0 0 555.475 5.881 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409241658 1073101268 /nfs/dbraw/zinc/10/12/68/1073101268.db2.gz LFJOFZCFWBAYMM-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409240969 1073103681 /nfs/dbraw/zinc/10/36/81/1073103681.db2.gz VWBLKLSATRSJFB-UUYOSTAYSA-N 0 0 562.591 6.116 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409240157 1073109915 /nfs/dbraw/zinc/10/99/15/1073109915.db2.gz JVMRWGZFPXRNCZ-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000409240357 1073109932 /nfs/dbraw/zinc/10/99/32/1073109932.db2.gz SVSXHFFLSPQRHS-QRQIAZFYSA-N 0 0 587.122 7.864 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409239564 1073113416 /nfs/dbraw/zinc/11/34/16/1073113416.db2.gz HHADZIXTSAGUOD-JAIQZWGSSA-N 0 0 549.512 5.702 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409239305 1073115444 /nfs/dbraw/zinc/11/54/44/1073115444.db2.gz PHRJYWMGUWTOMP-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1C ZINC000409238977 1073116384 /nfs/dbraw/zinc/11/63/84/1073116384.db2.gz XXYGDGJETKNJDQ-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409238742 1073118907 /nfs/dbraw/zinc/11/89/07/1073118907.db2.gz BKIJTAKDZLYXCN-CFRMEGHHSA-N 0 0 557.068 6.610 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409238088 1073122323 /nfs/dbraw/zinc/12/23/23/1073122323.db2.gz KHKUUTRRAVGANN-GTNUZRKBSA-N 0 0 587.041 5.765 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409238029 1073123991 /nfs/dbraw/zinc/12/39/91/1073123991.db2.gz YRVKENKKEGIKRT-QRVIBDJDSA-N 0 0 559.496 6.734 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409237727 1073125867 /nfs/dbraw/zinc/12/58/67/1073125867.db2.gz BMTCRXJNLYOZFS-PCLIKHOPSA-N 0 0 511.043 6.399 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)cc1 ZINC000409237555 1073126419 /nfs/dbraw/zinc/12/64/19/1073126419.db2.gz XJMRCIHHQSMBHF-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000409251437 1073128772 /nfs/dbraw/zinc/12/87/72/1073128772.db2.gz PWCHZNYKZGYLHM-GRSHGNNSSA-N 0 0 511.452 5.631 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409251052 1073129984 /nfs/dbraw/zinc/12/99/84/1073129984.db2.gz SSHUAVKETZEOOM-NHDPSOOVSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409251307 1073129993 /nfs/dbraw/zinc/12/99/93/1073129993.db2.gz PIDKAPCOEGMMOY-ODLFYWEKSA-N 0 0 535.485 5.393 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)cc1C ZINC000409250716 1073134417 /nfs/dbraw/zinc/13/44/17/1073134417.db2.gz NRFYFSLWAVMLDZ-FMCGGJTJSA-N 0 0 577.049 7.399 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409250229 1073136430 /nfs/dbraw/zinc/13/64/30/1073136430.db2.gz WORSPACISCHJJZ-IWIPYMOSSA-N 0 0 582.545 6.247 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S ZINC000409249914 1073138585 /nfs/dbraw/zinc/13/85/85/1073138585.db2.gz JSLNBMIYQLOOQC-OCKHKDLRSA-N 0 0 511.452 5.249 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)c(C)c1 ZINC000409249343 1073142319 /nfs/dbraw/zinc/14/23/19/1073142319.db2.gz TYZLFFLTLYSWLN-FMCGGJTJSA-N 0 0 577.049 7.399 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)c(C)c1 ZINC000409249352 1073142405 /nfs/dbraw/zinc/14/24/05/1073142405.db2.gz UBHMVLKYVQONBM-OYKKKHCWSA-N 0 0 581.557 7.106 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409248408 1073147892 /nfs/dbraw/zinc/14/78/92/1073147892.db2.gz KCSOEZHJPOVGRK-LELXDKESSA-N 0 0 553.489 5.400 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cccc1C ZINC000409248508 1073148416 /nfs/dbraw/zinc/14/84/16/1073148416.db2.gz KVBMCCQSHNCBDM-HMAPJEAMSA-N 0 0 583.529 6.498 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409248550 1073148869 /nfs/dbraw/zinc/14/88/69/1073148869.db2.gz DRGVBVCQTWHESQ-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409247833 1073151320 /nfs/dbraw/zinc/15/13/20/1073151320.db2.gz OFSAYZGDYDBWNE-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)c(C)c1 ZINC000409247767 1073152586 /nfs/dbraw/zinc/15/25/86/1073152586.db2.gz BBJYRISNPPEIJJ-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409247315 1073154538 /nfs/dbraw/zinc/15/45/38/1073154538.db2.gz MMKOCDNRSWIXKM-NKVSQWTQSA-N 0 0 518.397 6.215 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1C ZINC000409256648 1073155824 /nfs/dbraw/zinc/15/58/24/1073155824.db2.gz PVQWOTVEVVXTPZ-XKZIYDEJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409255294 1073156194 /nfs/dbraw/zinc/15/61/94/1073156194.db2.gz HSDPCGYKRNYUJR-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409257173 1073157006 /nfs/dbraw/zinc/15/70/06/1073157006.db2.gz RJFROQKYPWAVTI-SAHIIKMKSA-N 0 0 537.106 6.882 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(CC)cc4)c(OC)c3)SC2=S)cc1 ZINC000409257297 1073157478 /nfs/dbraw/zinc/15/74/78/1073157478.db2.gz RYRPDOIMYQOCKO-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S ZINC000409257106 1073158233 /nfs/dbraw/zinc/15/82/33/1073158233.db2.gz QIONNAADHSKQBZ-PGECNJAHSA-N 0 0 542.604 6.685 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OCC)c2)SC1=S ZINC000409256875 1073160178 /nfs/dbraw/zinc/16/01/78/1073160178.db2.gz NWSMUYATRGAPKR-KQWNVCNZSA-N 0 0 514.669 5.503 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O ZINC000409256522 1073160626 /nfs/dbraw/zinc/16/06/26/1073160626.db2.gz OZDJTQBRFXPOLO-DHDCSXOGSA-N 0 0 517.797 5.455 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)SC2=S)cc1 ZINC000409256221 1073162341 /nfs/dbraw/zinc/16/23/41/1073162341.db2.gz KIIKZOMPOPHMMU-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409256038 1073163468 /nfs/dbraw/zinc/16/34/68/1073163468.db2.gz NODSTVFXRCJLNN-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409255897 1073164418 /nfs/dbraw/zinc/16/44/18/1073164418.db2.gz LSCRNXBLHKKROM-LIAPLOTISA-N 0 0 518.660 5.984 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409255955 1073164820 /nfs/dbraw/zinc/16/48/20/1073164820.db2.gz MRDGTJLOOLLSSZ-VPBNWZFVSA-N 0 0 548.686 6.074 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000409255565 1073166299 /nfs/dbraw/zinc/16/62/99/1073166299.db2.gz MBPYEEXJOXSXDK-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409255185 1073168256 /nfs/dbraw/zinc/16/82/56/1073168256.db2.gz KTGRHFMUWHDTGO-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)SC2=S)cc1 ZINC000409255219 1073168739 /nfs/dbraw/zinc/16/87/39/1073168739.db2.gz GTEWEEUFIOYWLJ-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S ZINC000409254583 1073171363 /nfs/dbraw/zinc/17/13/63/1073171363.db2.gz IYEPLLWFEPQIIU-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000409254273 1073173493 /nfs/dbraw/zinc/17/34/93/1073173493.db2.gz IEFIWVYPCGPMGU-SMNNTEATSA-N 0 0 523.079 6.628 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409253897 1073178027 /nfs/dbraw/zinc/17/80/27/1073178027.db2.gz CEYFUPFISWHTAM-GTBBCORBSA-N 0 0 522.570 5.103 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409253903 1073178033 /nfs/dbraw/zinc/17/80/33/1073178033.db2.gz CEYFUPFISWHTAM-WKRCLWGVSA-N 0 0 522.570 5.103 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409253750 1073179253 /nfs/dbraw/zinc/17/92/53/1073179253.db2.gz YEKSLNRSOBECNO-QQXSKIMKSA-N 0 0 546.714 6.742 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409253807 1073179720 /nfs/dbraw/zinc/17/97/20/1073179720.db2.gz GQIULZPLQSZIRC-WKULSOCRSA-N 0 0 624.590 7.040 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2)c(C)c1 ZINC000409253616 1073180238 /nfs/dbraw/zinc/18/02/38/1073180238.db2.gz XLHBOKQKVPJMQP-QAEYNFOBSA-N 0 0 516.688 6.592 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409253147 1073183031 /nfs/dbraw/zinc/18/30/31/1073183031.db2.gz WBVQECAZCUMNEG-NDENLUEZSA-N 0 0 515.012 5.361 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409253222 1073183509 /nfs/dbraw/zinc/18/35/09/1073183509.db2.gz FGOINLOVZGZHQJ-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409252552 1073186658 /nfs/dbraw/zinc/18/66/58/1073186658.db2.gz TXBXPUNBWAYXDO-MTJSOVHGSA-N 0 0 529.039 5.669 40 10 KKCBRN COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208797 1073191757 /nfs/dbraw/zinc/19/17/57/1073191757.db2.gz QAKIZVPELFHIOQ-RBISFHTESA-N 0 0 631.722 5.880 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S ZINC000409267265 1073196108 /nfs/dbraw/zinc/19/61/08/1073196108.db2.gz UHPGRDHFNXQZJG-XYIDMMFISA-N 0 0 543.497 6.973 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OCC)c2)SC1=S ZINC000409267097 1073196172 /nfs/dbraw/zinc/19/61/72/1073196172.db2.gz SJHKVMYIJNVJAI-UNOMPAQXSA-N 0 0 525.479 6.021 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409267080 1073197987 /nfs/dbraw/zinc/19/79/87/1073197987.db2.gz SFOSJYDUAHEWGV-JMIUGGIZSA-N 0 0 519.431 6.005 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409266569 1073200597 /nfs/dbraw/zinc/20/05/97/1073200597.db2.gz PTKODEAFROKWGO-UHFFFAOYSA-N 0 0 701.517 6.518 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1 ZINC000409265595 1073206854 /nfs/dbraw/zinc/20/68/54/1073206854.db2.gz MZJDZBUWMZFBLC-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409265388 1073207287 /nfs/dbraw/zinc/20/72/87/1073207287.db2.gz UPONLKIMUPWZAD-IMRQLAEWSA-N 0 0 546.714 6.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409265060 1073207851 /nfs/dbraw/zinc/20/78/51/1073207851.db2.gz NNTLARBSDUPIGE-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c1 ZINC000033716476 1073207803 /nfs/dbraw/zinc/20/78/03/1073207803.db2.gz CKXXXDHDLIPKGZ-AFDYPQSWSA-N 0 0 500.668 6.420 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409265096 1073208293 /nfs/dbraw/zinc/20/82/93/1073208293.db2.gz MPLBROCSYJPVDF-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1cccc(Cl)c1 ZINC000409265039 1073209678 /nfs/dbraw/zinc/20/96/78/1073209678.db2.gz MITDLJCTYVQXBJ-NHDPSOOVSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409264442 1073212847 /nfs/dbraw/zinc/21/28/47/1073212847.db2.gz KIRGDRKGYBHFCE-OYKKKHCWSA-N 0 0 522.648 5.714 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409264238 1073213225 /nfs/dbraw/zinc/21/32/25/1073213225.db2.gz PYSVOWVFAXLPOK-HMAPJEAMSA-N 0 0 543.041 6.301 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409264190 1073213239 /nfs/dbraw/zinc/21/32/39/1073213239.db2.gz NPVOKYFAPAMKCL-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409264252 1073213627 /nfs/dbraw/zinc/21/36/27/1073213627.db2.gz QAXXPWLESNUDCQ-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409263455 1073217471 /nfs/dbraw/zinc/21/74/71/1073217471.db2.gz MTRWNXAAAHILAH-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263371 1073218214 /nfs/dbraw/zinc/21/82/14/1073218214.db2.gz KNBCTQYIOWOTMU-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409263156 1073218523 /nfs/dbraw/zinc/21/85/23/1073218523.db2.gz APOIPBALKKMXJS-NLULDLIBSA-N 0 0 548.686 6.074 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1 ZINC000409262742 1073219918 /nfs/dbraw/zinc/21/99/18/1073219918.db2.gz GVOARASCQRRSNW-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409262819 1073220249 /nfs/dbraw/zinc/22/02/49/1073220249.db2.gz HRUROFTVRFUKEU-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC ZINC000409262618 1073221183 /nfs/dbraw/zinc/22/11/83/1073221183.db2.gz GCVWSPIJGBUTKV-VPBNWZFVSA-N 0 0 532.687 6.238 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409261946 1073224987 /nfs/dbraw/zinc/22/49/87/1073224987.db2.gz FPHILBWJLGHCFM-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409261645 1073226579 /nfs/dbraw/zinc/22/65/79/1073226579.db2.gz CHZFROGIGIASOJ-NVMNQCDNSA-N 0 0 511.452 5.549 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409261189 1073229161 /nfs/dbraw/zinc/22/91/61/1073229161.db2.gz BTGODAKTPWZLEC-QRVIBDJDSA-N 0 0 541.050 5.781 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409260866 1073230824 /nfs/dbraw/zinc/23/08/24/1073230824.db2.gz XRDHDZFOCVPXGS-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(OCC)c3)SC2=S)cc1 ZINC000409260725 1073231938 /nfs/dbraw/zinc/23/19/38/1073231938.db2.gz VJRQBAPORAOQDG-BOPFTXTBSA-N 0 0 527.405 5.200 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1C ZINC000409260756 1073232015 /nfs/dbraw/zinc/23/20/15/1073232015.db2.gz VUOUYBUHTGJRRI-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)SC1=S ZINC000409260814 1073232741 /nfs/dbraw/zinc/23/27/41/1073232741.db2.gz WWMBGCBFLULOQR-ZGWJWYQGSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409260521 1073234148 /nfs/dbraw/zinc/23/41/48/1073234148.db2.gz RMNDZPFCFJOXFQ-HAHDFKILSA-N 0 0 539.078 6.470 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)SC2=S)cc1Cl ZINC000409260152 1073235465 /nfs/dbraw/zinc/23/54/65/1073235465.db2.gz LPKHLCSCHVAYFQ-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cccc4C)c3)SC2=S)cc1 ZINC000409260194 1073235751 /nfs/dbraw/zinc/23/57/51/1073235751.db2.gz MIZDCQXDDZKKKF-JLPGSUDCSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)SC2=S)cc1 ZINC000409260171 1073235828 /nfs/dbraw/zinc/23/58/28/1073235828.db2.gz LZDZZRBWZMCURR-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409260198 1073235853 /nfs/dbraw/zinc/23/58/53/1073235853.db2.gz MJUZYGMQKDPMGP-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409259589 1073238951 /nfs/dbraw/zinc/23/89/51/1073238951.db2.gz BDELZXMRLBUNKU-NDENLUEZSA-N 0 0 529.437 5.461 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409259390 1073239302 /nfs/dbraw/zinc/23/93/02/1073239302.db2.gz ZEXASPJCTOERRJ-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2Cl)c(C)c1 ZINC000409259452 1073239745 /nfs/dbraw/zinc/23/97/45/1073239745.db2.gz ZHIQFNGSPHMSIZ-UUYOSTAYSA-N 0 0 513.040 5.969 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409259458 1073239751 /nfs/dbraw/zinc/23/97/51/1073239751.db2.gz ZSKKALRXNHBZSO-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409259280 1073240571 /nfs/dbraw/zinc/24/05/71/1073240571.db2.gz XZYZGTXKFMLCNE-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409258453 1073246359 /nfs/dbraw/zinc/24/63/59/1073246359.db2.gz VAZHLIDAHFNAHZ-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)c2)cc1 ZINC000409257910 1073248484 /nfs/dbraw/zinc/24/84/84/1073248484.db2.gz UOXWADLEERBJPC-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409257950 1073248814 /nfs/dbraw/zinc/24/88/14/1073248814.db2.gz VCMKYPGTFFKXAN-UHFFFAOYSA-N 0 0 723.805 7.774 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409257698 1073250512 /nfs/dbraw/zinc/25/05/12/1073250512.db2.gz UKMRTHQPCSQASC-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2)cc1Cl ZINC000409272658 1073252586 /nfs/dbraw/zinc/25/25/86/1073252586.db2.gz RIGOJVIZZDCUAI-SMNNTEATSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409271962 1073259279 /nfs/dbraw/zinc/25/92/79/1073259279.db2.gz WTUABYMKDSDINC-SLCIXIPPSA-N 0 0 533.071 5.055 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409271154 1073266205 /nfs/dbraw/zinc/26/62/05/1073266205.db2.gz KDEAVPCNTZLFAS-QQXSKIMKSA-N 0 0 532.687 5.803 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409270718 1073269375 /nfs/dbraw/zinc/26/93/75/1073269375.db2.gz HMCLNRYCKHDQNF-BKUYFWCQSA-N 0 0 519.088 5.928 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409270133 1073272595 /nfs/dbraw/zinc/27/25/95/1073272595.db2.gz FYEOAYAECFTRSO-OCKHKDLRSA-N 0 0 553.484 6.205 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409269508 1073276503 /nfs/dbraw/zinc/27/65/03/1073276503.db2.gz CJMWUFLYYVTNEA-CFRMEGHHSA-N 0 0 539.579 5.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409268484 1073283955 /nfs/dbraw/zinc/28/39/55/1073283955.db2.gz UJQJECGEPMVNNK-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409268268 1073284304 /nfs/dbraw/zinc/28/43/04/1073284304.db2.gz RTKMAAQYQQNHFB-UHFFFAOYSA-N 0 0 600.458 6.903 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)SC1=S ZINC000409268284 1073284369 /nfs/dbraw/zinc/28/43/69/1073284369.db2.gz YTMZRUMODNAAER-HAHDFKILSA-N 0 0 512.697 6.029 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409268389 1073285235 /nfs/dbraw/zinc/28/52/35/1073285235.db2.gz ZLVCLCUKXHYVHB-BKUYFWCQSA-N 0 0 548.995 6.782 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1 ZINC000409267745 1073287896 /nfs/dbraw/zinc/28/78/96/1073287896.db2.gz XLADTVYCWAQZBB-XYGWBWBKSA-N 0 0 534.659 5.690 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)SC1=S ZINC000409267616 1073289239 /nfs/dbraw/zinc/28/92/39/1073289239.db2.gz VESOFFUUSJEHOI-MOSHPQCFSA-N 0 0 535.485 5.477 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)SC1=S ZINC000409267416 1073289523 /nfs/dbraw/zinc/28/95/23/1073289523.db2.gz UOZLHGUWQISTBM-NDENLUEZSA-N 0 0 535.485 5.395 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409267340 1073290303 /nfs/dbraw/zinc/29/03/03/1073290303.db2.gz TYPVPQTWBBPFNH-UCQKPKSFSA-N 0 0 543.497 6.455 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)SC1=S ZINC000409273490 1073319470 /nfs/dbraw/zinc/31/94/70/1073319470.db2.gz YMICNZZWHOFWOO-MOSHPQCFSA-N 0 0 519.486 5.776 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409273016 1073320501 /nfs/dbraw/zinc/32/05/01/1073320501.db2.gz UUTHEAUKFUPNGZ-UHFFFAOYSA-N 0 0 600.458 6.903 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409276475 1073329522 /nfs/dbraw/zinc/32/95/22/1073329522.db2.gz RQVUXIFYVBLIBS-UFFVCSGVSA-N 0 0 501.942 5.701 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484766 193901402 /nfs/dbraw/zinc/90/14/02/193901402.db2.gz DPIWCUVUPDEYPX-HZHRSRAPSA-N 0 0 501.369 7.038 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccccc1 ZINC000059418069 193897373 /nfs/dbraw/zinc/89/73/73/193897373.db2.gz HYPFWBXAAVZCHM-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN Cc1cc([N+](=O)[N-]c2ccc(N=Nc3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100369089 193905242 /nfs/dbraw/zinc/90/52/42/193905242.db2.gz AVUIPABGYIFKBE-RCTOCPMBSA-N 0 0 524.588 11.167 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4I)ccc3o2)cc1 ZINC000100380943 193910839 /nfs/dbraw/zinc/91/08/39/193910839.db2.gz WOAKIVUDZLJHRZ-UHFFFAOYSA-N 0 0 570.456 6.072 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224502545 193949519 /nfs/dbraw/zinc/94/95/19/193949519.db2.gz LLADRDRZSMVPIX-RPBOFIJWSA-N 0 0 518.484 6.132 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531762 193966252 /nfs/dbraw/zinc/96/62/52/193966252.db2.gz GZNLMDKICHZVOT-URLMMPGGSA-N 0 0 560.123 6.152 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409050862 195501053 /nfs/dbraw/zinc/50/10/53/195501053.db2.gz BOCQFELDOBCEKG-OYKKKHCWSA-N 0 0 635.976 7.632 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409051134 195501311 /nfs/dbraw/zinc/50/13/11/195501311.db2.gz ALTHICHSGRKVPW-ZRYJBNJPSA-N 0 0 658.618 5.697 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409231574 195507533 /nfs/dbraw/zinc/50/75/33/195507533.db2.gz LJTNLERJRGQOEV-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409233216 195511630 /nfs/dbraw/zinc/51/16/30/195511630.db2.gz DLRJXSKZZDFUAE-MYKKPKGFSA-N 0 0 573.523 6.988 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)Nc1ccc(N(C)C)cc1 ZINC000000920555 551574308 /nfs/dbraw/zinc/57/43/08/551574308.db2.gz CANVFGSQZHGQLU-UHFFFAOYSA-N 0 0 531.657 5.742 40 10 KKCBRN CCOC(=O)c1c2c(sc1C(=O)CSc1ncc(-c3ccc(F)cc3)n1Cc1ccco1)CCCC2 ZINC000000924767 551578091 /nfs/dbraw/zinc/57/80/91/551578091.db2.gz BYHKWGUASVGMKF-UHFFFAOYSA-N 0 0 524.639 6.423 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000001890324 551726306 /nfs/dbraw/zinc/72/63/06/551726306.db2.gz LINFJLNNRNZQMD-PKYOQBLNSA-N 0 0 557.691 5.468 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002312634 552091156 /nfs/dbraw/zinc/09/11/56/552091156.db2.gz LNOQCTPUWWOPJI-CXUHLZMHSA-N 0 0 505.370 6.242 40 10 KKCBRN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4n3c3ccccc3c(=O)n4-c3cccc(C)c3)c2C)cc1 ZINC000002641448 552143058 /nfs/dbraw/zinc/14/30/58/552143058.db2.gz OXVLIAWEORPQMC-UHFFFAOYSA-N 0 0 549.656 5.733 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000003765944 552414591 /nfs/dbraw/zinc/41/45/91/552414591.db2.gz RUYSQRUNUXKMLJ-LSHDLFTRSA-N 0 0 520.434 7.126 40 10 KKCBRN Cc1cc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)ccc1Cl ZINC000004119504 552439198 /nfs/dbraw/zinc/43/91/98/552439198.db2.gz GDXJUTXJDULEIE-FDFHNCONSA-N 0 0 550.792 5.106 40 10 KKCBRN Cn1c(=O)cc2c3c1ccc(NC(=O)c1ccc4[nH]c5c(ccc6c5C(=O)c5ccccc5C6=O)c(=O)c4c1)c3C(=O)c1ccccc1-2 ZINC000004430655 552461022 /nfs/dbraw/zinc/46/10/22/552461022.db2.gz WZYGEHLZPCJTCJ-UHFFFAOYSA-N 0 0 627.612 5.772 40 10 KKCBRN O=C(Nc1cccc2c1C(=O)c1cccc(Nc3ccc(NC(=O)c4ccccc4)c4c3C(=O)c3ccccc3C4=O)c1C2=O)c1ccccc1 ZINC000004429712 552461072 /nfs/dbraw/zinc/46/10/72/552461072.db2.gz HZCNWAWXJDZEHZ-UHFFFAOYSA-N 0 0 667.677 7.486 40 10 KKCBRN Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc4c5c(nsc53)-c3ccccc3C4=O)c1C2=O ZINC000004522762 552462604 /nfs/dbraw/zinc/46/26/04/552462604.db2.gz XWPCGSVZRRWTCM-UHFFFAOYSA-N 0 0 501.523 5.118 40 10 KKCBRN COC(c1ccccc1)(c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000004773098 552481491 /nfs/dbraw/zinc/48/14/91/552481491.db2.gz WCQCDEJHUUSWBX-UHFFFAOYSA-N 0 0 584.719 6.227 40 10 KKCBRN O=C(OC1=C(OC(=O)c2ccc(/N=N/c3ccccc3)cc2)c2ccccc21)c1ccc(/N=N/c2ccccc2)cc1 ZINC000005082924 552493500 /nfs/dbraw/zinc/49/35/00/552493500.db2.gz YEYLSKFBDUMBJI-ATXIYDNESA-N 0 0 550.574 9.371 40 10 KKCBRN c1ccc(/N=N/[C@@]2(c3ccccc3)CC(c3ccccc3)=NN(c3ccccc3)[C@@H]2NNc2ccccc2)cc1 ZINC000005103226 552493708 /nfs/dbraw/zinc/49/37/08/552493708.db2.gz RAUZXBDYXHNGNW-ZEYOVNHESA-N 0 0 522.656 7.923 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=NNc3ccccc3Cl)C(=O)N(c3ccc(Br)cc3)C2=S)cc1 ZINC000005639567 552505745 /nfs/dbraw/zinc/50/57/45/552505745.db2.gz VTXWFPZTURPBJI-BYYHNAKLSA-N 0 0 557.857 7.293 40 10 KKCBRN Cc1nn(C(=O)c2c(C)onc2-c2ccccc2)c(C)c1/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005664697 552506513 /nfs/dbraw/zinc/50/65/13/552506513.db2.gz RSPOOOKZIIMJNA-QNEJGDQOSA-N 0 0 521.421 7.605 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2-c2ccccc2)cc1 ZINC000005809341 552509690 /nfs/dbraw/zinc/50/96/90/552509690.db2.gz AXRGTLBJYRDFIL-XAHDOWKMSA-N 0 0 550.018 7.964 40 10 KKCBRN CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000005941095 552513694 /nfs/dbraw/zinc/51/36/94/552513694.db2.gz CCBWYYKVKJXQCW-CTYAWMOPSA-N 0 0 556.662 6.776 40 10 KKCBRN CC[C@@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134525 552537756 /nfs/dbraw/zinc/53/77/56/552537756.db2.gz XMGDKMAHOQSAMV-QNLPTKCRSA-N 0 0 582.749 5.471 40 10 KKCBRN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1CCCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000006147857 552549192 /nfs/dbraw/zinc/54/91/92/552549192.db2.gz KAJVJZHJSHEZBY-BMJUYKDLSA-N 0 0 556.756 5.761 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006475285 552593320 /nfs/dbraw/zinc/59/33/20/552593320.db2.gz XPMQSZXZTMMBMR-SKVJQKLOSA-N 0 0 506.518 6.735 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000006480720 552593580 /nfs/dbraw/zinc/59/35/80/552593580.db2.gz IBGXVYAZBZMDLL-NKFKGCMQSA-N 0 0 545.126 6.697 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000006906858 552978661 /nfs/dbraw/zinc/97/86/61/552978661.db2.gz QVJIGPSKOHLCTC-FYJGNVAPSA-N 0 0 515.534 6.339 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000008819539 553154234 /nfs/dbraw/zinc/15/42/34/553154234.db2.gz XPTOKEKIUPMQDF-ATVHPVEESA-N 0 0 509.436 5.400 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000008819652 553154528 /nfs/dbraw/zinc/15/45/28/553154528.db2.gz VKTWMMJNGHYOFH-UQQQWYQISA-N 0 0 516.644 5.630 40 10 KKCBRN COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000008819937 553154614 /nfs/dbraw/zinc/15/46/14/553154614.db2.gz VPHRXGHOGJZLSZ-KQWNVCNZSA-N 0 0 512.653 5.307 40 10 KKCBRN COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819920 553154652 /nfs/dbraw/zinc/15/46/52/553154652.db2.gz SSWZVUOVLAPPKL-JWGURIENSA-N 0 0 500.642 5.113 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 ZINC000008819892 553154661 /nfs/dbraw/zinc/15/46/61/553154661.db2.gz VEAXYZAZLDKSRI-JWGURIENSA-N 0 0 523.705 6.219 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000008820151 553155061 /nfs/dbraw/zinc/15/50/61/553155061.db2.gz YPFTWKOCJLTJAD-UNOMPAQXSA-N 0 0 513.899 7.047 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)c1 ZINC000008820451 553155395 /nfs/dbraw/zinc/15/53/95/553155395.db2.gz YLNUKBMDRRETSL-OODPNNOFSA-N 0 0 505.690 5.829 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O ZINC000008820589 553155607 /nfs/dbraw/zinc/15/56/07/553155607.db2.gz ITMOJHSCGSKVPT-GEZYKDBCSA-N 0 0 525.721 5.292 40 10 KKCBRN COc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000008821392 553155881 /nfs/dbraw/zinc/15/58/81/553155881.db2.gz DAFKUXSTVWJCAE-OYKKKHCWSA-N 0 0 510.036 6.536 40 10 KKCBRN CCOc1cc(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821799 553156142 /nfs/dbraw/zinc/15/61/42/553156142.db2.gz KOVDLIOGVDQWHJ-QFEZKATASA-N 0 0 525.026 6.417 40 10 KKCBRN CCc1cccc(C)c1N(C(=O)Cn1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc21)[C@@H](C)COC ZINC000008834688 553160988 /nfs/dbraw/zinc/16/09/88/553160988.db2.gz JUNZFPUSPJSVKQ-ARHOYUFESA-N 0 0 510.682 6.212 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000008857611 553168296 /nfs/dbraw/zinc/16/82/96/553168296.db2.gz WQLUSBGJYWFNFM-HDWLYZEYSA-N 0 0 514.582 5.995 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000008871616 553171743 /nfs/dbraw/zinc/17/17/43/553171743.db2.gz OYZDQACFLXEXGY-PLRJNAJWSA-N 0 0 516.713 7.278 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000008911482 553183951 /nfs/dbraw/zinc/18/39/51/553183951.db2.gz VUHPBAGYEYEWNW-LTGZKZEYSA-N 0 0 517.072 5.917 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000008993789 553197090 /nfs/dbraw/zinc/19/70/90/553197090.db2.gz ZYBWSZPBBHFNBF-QRIKVYPUSA-N 0 0 519.410 5.489 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000009088647 553209099 /nfs/dbraw/zinc/20/90/99/553209099.db2.gz OSCYFHIYSSPJBS-JFHPUIQFSA-N 0 0 525.604 6.320 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000009233029 553223986 /nfs/dbraw/zinc/22/39/86/553223986.db2.gz IZDAMYDUYRDDEU-OGLMXYFKSA-N 0 0 511.668 7.450 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000009434528 553263979 /nfs/dbraw/zinc/26/39/79/553263979.db2.gz AUIGUIZULHMKDL-SXFYGQMCSA-N 0 0 525.630 6.156 40 10 KKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000009876735 553314158 /nfs/dbraw/zinc/31/41/58/553314158.db2.gz LNCJASMGJBVGCR-UHFFFAOYSA-N 0 0 504.870 6.397 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000010113126 553328756 /nfs/dbraw/zinc/32/87/56/553328756.db2.gz IUMBSIKTZOAWDZ-UHFFFAOYSA-N 0 0 505.684 5.114 40 10 KKCBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1cccc(Cl)c1 ZINC000010113236 553328929 /nfs/dbraw/zinc/32/89/29/553328929.db2.gz GPJPFTBPUREXFP-UHFFFAOYSA-N 0 0 512.075 5.227 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000012278494 553356087 /nfs/dbraw/zinc/35/60/87/553356087.db2.gz NVGRFOLOAASOED-WITYVPSDSA-N 0 0 514.697 7.054 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012411747 553363572 /nfs/dbraw/zinc/36/35/72/553363572.db2.gz UYBVBFZQKLNELJ-IWHONNDMSA-N 0 0 522.686 5.467 40 10 biogenic,in-vitro KKCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)CCC2 ZINC000013025085 553435322 /nfs/dbraw/zinc/43/53/22/553435322.db2.gz PQPYWQQTYXYTHQ-GDLZYMKVSA-N 0 0 513.638 5.052 40 10 KKCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000013025055 553435361 /nfs/dbraw/zinc/43/53/61/553435361.db2.gz NORJIBWBBMQQTM-AREMUKBSSA-N 0 0 526.008 5.356 40 10 KKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1C ZINC000013025165 553435448 /nfs/dbraw/zinc/43/54/48/553435448.db2.gz LYWAJUJSJLNBCQ-NDEPHWFRSA-N 0 0 501.627 5.180 40 10 KKCBRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000013676480 553482786 /nfs/dbraw/zinc/48/27/86/553482786.db2.gz ZLDWMOHSJAECLH-UHFFFAOYSA-N 0 0 512.075 5.227 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274754 553507707 /nfs/dbraw/zinc/50/77/07/553507707.db2.gz RYUYHZLTGLILHX-UHFFFAOYSA-N 0 0 508.987 5.206 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000015230440 553529933 /nfs/dbraw/zinc/52/99/33/553529933.db2.gz STXFHMPISZJXFA-RRFFURKPSA-N 0 0 526.680 5.045 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000016292283 553558973 /nfs/dbraw/zinc/55/89/73/553558973.db2.gz KTGRVAXLFMKTQX-QRVIBDJDSA-N 0 0 500.472 7.282 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000016292352 553559023 /nfs/dbraw/zinc/55/90/23/553559023.db2.gz OGARNOGJFUIBFO-FMCGGJTJSA-N 0 0 500.472 7.282 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000016312552 553560000 /nfs/dbraw/zinc/56/00/00/553560000.db2.gz XKHUQBHEJQWHAM-SXDGJLEOSA-N 0 0 520.651 5.957 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1cccc(Br)c1 ZINC000016479709 553566061 /nfs/dbraw/zinc/56/60/61/553566061.db2.gz SCZVEVMBFPDIDL-BKUYFWCQSA-N 0 0 510.434 6.070 40 10 KKCBRN O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)c(-c3ccccc3)c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000016491813 553566685 /nfs/dbraw/zinc/56/66/85/553566685.db2.gz LPESDYJLAZRLKK-BYYHNAKLSA-N 0 0 515.551 7.151 40 10 KKCBRN CCCCN(CCCC)c1nc(-c2ccc(OC[C@@H]3CO3)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 ZINC000016638745 553570544 /nfs/dbraw/zinc/57/05/44/553570544.db2.gz QCWYFAAZYYTTQQ-IFQZSBTPSA-N 0 0 509.632 7.318 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000016689284 553573442 /nfs/dbraw/zinc/57/34/42/553573442.db2.gz WUMVKKBUGZTOBV-IWIPYMOSSA-N 0 0 506.605 5.974 40 10 KKCBRN O=C(NN1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1csc2c1CCCC2 ZINC000016739608 553579309 /nfs/dbraw/zinc/57/93/09/553579309.db2.gz PFUGWSDICCJRQS-MVZMPPLNSA-N 0 0 506.030 5.204 40 10 KKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1cccc(Br)c1 ZINC000070453898 553593826 /nfs/dbraw/zinc/59/38/26/553593826.db2.gz ADYXWTHSAWTBIR-UHFFFAOYSA-N 0 0 505.412 6.995 40 10 KKCBRN Cc1ccc(NN=c2c3nc4ccccc4nc2n(-c2ccccc2C)c(=S)n3-c2ccc(C)cc2)cc1 ZINC000018066859 553603065 /nfs/dbraw/zinc/60/30/65/553603065.db2.gz GDSXSEZZZHSZAZ-XAHDOWKMSA-N 0 0 514.658 8.332 40 10 KKCBRN Cc1ccc(-n2c(=S)n(-c3ccccc3C)c3nc4ccccc4nc2c3=NNc2ccccc2)cc1 ZINC000018188916 553608169 /nfs/dbraw/zinc/60/81/69/553608169.db2.gz JRICANSJVGRQIU-JEIPZWNWSA-N 0 0 500.631 8.024 40 10 KKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Br)ccc2O)c(OC)c1 ZINC000019326066 553613454 /nfs/dbraw/zinc/61/34/54/553613454.db2.gz DXROHRZZIVFDKW-UHFFFAOYSA-N 0 0 557.485 5.596 40 10 KKCBRN Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCN([C@@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364873 553613766 /nfs/dbraw/zinc/61/37/66/553613766.db2.gz KPVZZCLJGKSYAA-MEKGRNQZSA-N 0 0 574.580 5.330 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2ccc(Cl)cc2)cc1 ZINC000020288600 553633466 /nfs/dbraw/zinc/63/34/66/553633466.db2.gz AYDJPRIYRBZHCG-ULJHMMPZSA-N 0 0 503.027 5.816 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000020375551 553643564 /nfs/dbraw/zinc/64/35/64/553643564.db2.gz PUPFZYBRXNAWID-WQLKBYKJSA-N 0 0 510.678 6.665 40 10 biogenic,in-vitro KKCBRN Cc1cc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2ccccc2)c1 ZINC000082190186 553675849 /nfs/dbraw/zinc/67/58/49/553675849.db2.gz YOAVTOZKRIFUPD-UHFFFAOYSA-N 0 0 646.799 7.734 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000083330089 553677020 /nfs/dbraw/zinc/67/70/20/553677020.db2.gz TYAWJPFHOVNWLR-PXLXIMEGSA-N 0 0 511.397 5.331 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867553 553687953 /nfs/dbraw/zinc/68/79/53/553687953.db2.gz XTMLICIYPNABCR-OUVOBJABSA-N 0 0 713.399 11.836 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2ccccc2F)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096398735 553753118 /nfs/dbraw/zinc/75/31/18/553753118.db2.gz BPMQYAWKGOTTMF-HRURDBDLSA-N 0 0 526.656 6.160 40 10 KKCBRN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C(c5cccs5)C[C@@H]4c4ccccc4O)cc3n2)cc1 ZINC000097948500 553794380 /nfs/dbraw/zinc/79/43/80/553794380.db2.gz FGONLRDTEIXIQW-XMMPIXPASA-N 0 0 575.616 7.297 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000026503395 553818901 /nfs/dbraw/zinc/81/89/01/553818901.db2.gz MDQBIZLGMFTNEB-PLYLSSTDSA-N 0 0 526.772 5.903 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000026681040 553819967 /nfs/dbraw/zinc/81/99/67/553819967.db2.gz KNVWVCVMHSKJJO-UYRXBGFRSA-N 0 0 508.459 5.445 40 10 KKCBRN N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000027835009 553836443 /nfs/dbraw/zinc/83/64/43/553836443.db2.gz OLKPCFWJDONWGT-SNYZBAFBSA-N 0 0 502.043 6.542 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000097957853 553849012 /nfs/dbraw/zinc/84/90/12/553849012.db2.gz WTILACZESPOTLS-XINMCSLHSA-N 0 0 534.682 6.332 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc([C@@H](C)CC)cc3)C2=N)S1 ZINC000097958994 553859744 /nfs/dbraw/zinc/85/97/44/553859744.db2.gz PSJQFMSUINANNL-ZBBFWAHCSA-N 0 0 555.498 6.450 40 10 KKCBRN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OC ZINC000097959051 553860011 /nfs/dbraw/zinc/86/00/11/553860011.db2.gz IXYPBJDPJKUOAQ-KGKYTMKASA-N 0 0 534.638 5.361 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000032109435 553863139 /nfs/dbraw/zinc/86/31/39/553863139.db2.gz HYVRCZTYZMEBBU-URLWSPITSA-N 0 0 513.019 5.616 40 10 KKCBRN Cc1ccccc1OCCOc1cccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1 ZINC000032109545 553863242 /nfs/dbraw/zinc/86/32/42/553863242.db2.gz VRDKJOOPZWAVNS-MITIOZTFSA-N 0 0 517.010 5.774 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097960814 553873670 /nfs/dbraw/zinc/87/36/70/553873670.db2.gz UNFWEFYJNWUJNW-XKZIYDEJSA-N 0 0 525.424 5.686 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000097964300 553896883 /nfs/dbraw/zinc/89/68/83/553896883.db2.gz CIIAPQLCOJFGLH-PSECHMBHSA-N 0 0 611.569 7.137 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OC ZINC000097964331 553897176 /nfs/dbraw/zinc/89/71/76/553897176.db2.gz HOQNCTMZYRXFJT-YBNOBOTCSA-N 0 0 560.720 6.866 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21 ZINC000097964324 553897188 /nfs/dbraw/zinc/89/71/88/553897188.db2.gz AZDNMFNZNZGMNJ-WRRUJWGCSA-N 0 0 539.583 6.415 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000097964307 553897218 /nfs/dbraw/zinc/89/72/18/553897218.db2.gz DMEIKAOOLAGSCV-UFGRWAPUSA-N 0 0 575.090 6.367 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000097964305 553897235 /nfs/dbraw/zinc/89/72/35/553897235.db2.gz RLWKDGHCAAGJJI-MRLPPCEWSA-N 0 0 545.344 5.483 40 10 KKCBRN N=C1/C(=C/c2ccccc2OCCOc2ccc(C3CCCCC3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000097964315 553897258 /nfs/dbraw/zinc/89/72/58/553897258.db2.gz GPJZMIFMNNABGZ-LVHSGMCUSA-N 0 0 542.583 6.374 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000097964375 553897848 /nfs/dbraw/zinc/89/78/48/553897848.db2.gz UBSLVGVNEUDMDC-JTMDUIFQSA-N 0 0 536.513 6.260 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000097964618 553899529 /nfs/dbraw/zinc/89/95/29/553899529.db2.gz DQJKDTFOBHTDGT-AKHZZTOUSA-N 0 0 526.387 5.064 40 10 KKCBRN Cc1cc(Cl)ccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000097964793 553900902 /nfs/dbraw/zinc/90/09/02/553900902.db2.gz YGCRIQOBKRRJPB-UHSBVEPQSA-N 0 0 541.036 5.745 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc2n1CCCOc1ccc(C)cc1C ZINC000097964802 553901014 /nfs/dbraw/zinc/90/10/14/553901014.db2.gz RJIUXVXUMLDDSE-DGRCSYINSA-N 0 0 548.672 6.098 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 ZINC000097964904 553901537 /nfs/dbraw/zinc/90/15/37/553901537.db2.gz FJMSSFIQYKPVTI-DCYSIZLVSA-N 0 0 552.700 7.024 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000097964891 553901619 /nfs/dbraw/zinc/90/16/19/553901619.db2.gz ICNUMINPPYUBQL-OVJDQBQJSA-N 0 0 575.488 6.403 40 10 KKCBRN N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000097964945 553901914 /nfs/dbraw/zinc/90/19/14/553901914.db2.gz LCHPGCIXSSBMRD-ARJKYRGMSA-N 0 0 520.661 5.961 40 10 KKCBRN N=C1/C(=C/c2cccn2-c2cc(C(F)(F)F)ccc2Cl)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000097964939 553901920 /nfs/dbraw/zinc/90/19/20/553901920.db2.gz IXXVUEFZMOKUIO-VWGQHWKMSA-N 0 0 519.961 6.073 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000097964942 553901935 /nfs/dbraw/zinc/90/19/35/553901935.db2.gz IFRMISDSPAIANV-CSEHATQYSA-N 0 0 546.674 5.775 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000097964989 553902245 /nfs/dbraw/zinc/90/22/45/553902245.db2.gz YRIRSPQQRPWTLA-QFEZKATASA-N 0 0 523.510 8.019 40 10 KKCBRN O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097980087 553985194 /nfs/dbraw/zinc/98/51/94/553985194.db2.gz OGWKMFLWXUEPEE-WCWDXBQESA-N 0 0 523.206 6.484 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000100054595 554195679 /nfs/dbraw/zinc/19/56/79/554195679.db2.gz ASEIPSWOVABEDQ-BUVRLJJBSA-N 0 0 611.380 8.350 40 10 KKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100073919 554203174 /nfs/dbraw/zinc/20/31/74/554203174.db2.gz SRNLWNVUNLIEBO-QUPMIFSKSA-N 0 0 566.657 8.998 40 10 KKCBRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000100076967 554204787 /nfs/dbraw/zinc/20/47/87/554204787.db2.gz RHVJUXQJOXFIIF-UHFFFAOYSA-N 0 0 590.145 5.811 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000100077588 554205082 /nfs/dbraw/zinc/20/50/82/554205082.db2.gz GSLQXVFGMOHUMV-UHFFFAOYSA-N 0 0 586.552 5.350 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Br)cc2)cc1 ZINC000100078512 554205499 /nfs/dbraw/zinc/20/54/99/554205499.db2.gz MFPVQAKTEPNLMV-UHFFFAOYSA-N 0 0 556.526 5.260 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccccc3OCC(=O)Nc3cccc(CC)c3)C2=O)cc1 ZINC000036612312 554225691 /nfs/dbraw/zinc/22/56/91/554225691.db2.gz JDWKQJXXNOAKIW-NLRVBDNBSA-N 0 0 511.578 5.249 40 10 KKCBRN CCCCC1([C@H](Nc2ccc(C(=O)OC)cc2)c2ccc(Br)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000100144257 554229735 /nfs/dbraw/zinc/22/97/35/554229735.db2.gz REXDIKPFNKTSBP-SSEXGKCCSA-N 0 0 626.551 7.561 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000100181238 554241720 /nfs/dbraw/zinc/24/17/20/554241720.db2.gz BVYMWLFXASGGOF-LICLKQGHSA-N 0 0 545.293 6.541 40 10 KKCBRN CN(C)c1ccc(C=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000100191013 554244859 /nfs/dbraw/zinc/24/48/59/554244859.db2.gz FTFCLHULLSRDTQ-RQZCQDPDSA-N 0 0 565.244 7.130 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC1=S ZINC000100198497 554246360 /nfs/dbraw/zinc/24/63/60/554246360.db2.gz JAAPWKJJKRRKAX-UDWIEESQSA-N 0 0 563.336 7.165 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100229445 554255043 /nfs/dbraw/zinc/25/50/43/554255043.db2.gz CDWHLXLCWIEAJH-QNGOZBTKSA-N 0 0 542.616 5.167 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230028 554255517 /nfs/dbraw/zinc/25/55/17/554255517.db2.gz MUQUBELOGRHUII-VXLYETTFSA-N 0 0 576.270 7.724 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100231282 554256876 /nfs/dbraw/zinc/25/68/76/554256876.db2.gz UHCKGZJNXIIFEJ-CAOOACKPSA-N 0 0 533.296 6.565 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100231535 554257300 /nfs/dbraw/zinc/25/73/00/554257300.db2.gz OFALITODOMYNLP-FRKPEAEDSA-N 0 0 519.269 6.222 40 10 KKCBRN CCOc1ccc(C2=C/C(=C/c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100239293 554260007 /nfs/dbraw/zinc/26/00/07/554260007.db2.gz WIBMUJKMFXUNLM-HFTWOUSFSA-N 0 0 544.050 8.845 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000100241559 554260529 /nfs/dbraw/zinc/26/05/29/554260529.db2.gz HGRYFMRROGLDCC-OEAKJJBVSA-N 0 0 574.493 6.980 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000100266839 554267178 /nfs/dbraw/zinc/26/71/78/554267178.db2.gz JMKNMDXMRZCMQX-WEXXKXMWSA-N 0 0 619.143 6.936 40 10 KKCBRN CCCCCCc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1 ZINC000100266824 554267204 /nfs/dbraw/zinc/26/72/04/554267204.db2.gz AGANEQUVOJEERO-AODHLHLASA-N 0 0 582.726 6.965 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000100267144 554267503 /nfs/dbraw/zinc/26/75/03/554267503.db2.gz OPUVFBIPEXSWRD-YFIZFCHVSA-N 0 0 557.470 5.643 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4cc(C)ccc4C)c(OCC)c3)C2=N)S1 ZINC000100267797 554267994 /nfs/dbraw/zinc/26/79/94/554267994.db2.gz WBBSCQCVBXHIMR-SSYJJTASSA-N 0 0 541.073 6.233 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100268468 554268155 /nfs/dbraw/zinc/26/81/55/554268155.db2.gz WSIIWEHHWGVHLB-SPFAQNDESA-N 0 0 583.386 5.405 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000100268430 554268192 /nfs/dbraw/zinc/26/81/92/554268192.db2.gz DELQHDPHXBWWFR-ALEMRJAQSA-N 0 0 560.598 6.238 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000100273051 554270704 /nfs/dbraw/zinc/27/07/04/554270704.db2.gz SFPQJHCMLGGFOE-PNKKYEAWSA-N 0 0 532.544 5.341 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000039556857 554279602 /nfs/dbraw/zinc/27/96/02/554279602.db2.gz BOFQTDFSHVILOY-BUVRLJJBSA-N 0 0 500.396 5.853 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000039793812 554281047 /nfs/dbraw/zinc/28/10/47/554281047.db2.gz MRCLOLJEQWTLHD-STZFKDTASA-N 0 0 514.550 6.129 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S)c1ccc(Cl)cc1 ZINC000040940356 554291682 /nfs/dbraw/zinc/29/16/82/554291682.db2.gz JWPQAZSAJXHNSP-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN COc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2)cc1 ZINC000041076383 554291975 /nfs/dbraw/zinc/29/19/75/554291975.db2.gz CQOLJLIXTUOYPN-ZSEUTSBQSA-N 0 0 504.612 5.352 40 10 KKCBRN Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000041084221 554294394 /nfs/dbraw/zinc/29/43/94/554294394.db2.gz FZTYYPHYMXPPFG-CQEFFZBYSA-N 0 0 520.618 5.400 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000100319928 554304555 /nfs/dbraw/zinc/30/45/55/554304555.db2.gz CICPRTHTAKMOLQ-KEBDBYFISA-N 0 0 593.248 6.992 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000100323491 554307285 /nfs/dbraw/zinc/30/72/85/554307285.db2.gz FBEFTGAIPPKVMS-FYJGNVAPSA-N 0 0 577.440 6.424 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100323644 554307521 /nfs/dbraw/zinc/30/75/21/554307521.db2.gz OXWNERJSGPCVJN-QQXSKIMKSA-N 0 0 576.537 7.591 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000100323713 554307562 /nfs/dbraw/zinc/30/75/62/554307562.db2.gz XFVLIIZJYQWSFW-HMAPJEAMSA-N 0 0 573.477 6.280 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc3c(c2)OCO3)cc1 ZINC000100332812 554315424 /nfs/dbraw/zinc/31/54/24/554315424.db2.gz BKNXXMATFWEFAP-YTTGMZPUSA-N 0 0 552.675 5.729 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000100365143 554351152 /nfs/dbraw/zinc/35/11/52/554351152.db2.gz MVSTUZMUFYTLRX-CIAFOILYSA-N 0 0 546.895 7.096 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Br)ccc4Cl)ccc3o2)cc1 ZINC000100381320 554363524 /nfs/dbraw/zinc/36/35/24/554363524.db2.gz WNICBDMZLBVDEI-UHFFFAOYSA-N 0 0 557.901 6.884 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4cc(Br)cc(Br)c4OC)ccc3o2)cc1 ZINC000100382964 554363773 /nfs/dbraw/zinc/36/37/73/554363773.db2.gz AEPHUYXHQVPLJR-MDWZMJQESA-N 0 0 599.323 7.527 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000058822221 554365340 /nfs/dbraw/zinc/36/53/40/554365340.db2.gz NXJVBDZGMJKXFA-FYJGNVAPSA-N 0 0 502.444 6.987 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058846098 554365955 /nfs/dbraw/zinc/36/59/55/554365955.db2.gz DNABRIQNSXJPRW-VVZHRXSXSA-N 0 0 509.469 6.639 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058846434 554366052 /nfs/dbraw/zinc/36/60/52/554366052.db2.gz VMCLWWPKGUMDER-UNVFRBQDSA-N 0 0 510.015 6.492 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c(C)c1 ZINC000058846225 554366075 /nfs/dbraw/zinc/36/60/75/554366075.db2.gz PEYKCRHWPAMRJY-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058846341 554366129 /nfs/dbraw/zinc/36/61/29/554366129.db2.gz XMXYPKRRMFTCKR-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846821 554366407 /nfs/dbraw/zinc/36/64/07/554366407.db2.gz FQVKHZYMUZFZMB-IRYADYCUSA-N 0 0 504.652 6.455 40 10 KKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846896 554366418 /nfs/dbraw/zinc/36/64/18/554366418.db2.gz XMOXLBUNNIPSHB-NGKQEFFVSA-N 0 0 506.671 7.598 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847455 554366693 /nfs/dbraw/zinc/36/66/93/554366693.db2.gz ISVDXUJQJRKMDZ-GLDPYIMESA-N 0 0 504.961 6.986 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058846909 554366716 /nfs/dbraw/zinc/36/67/16/554366716.db2.gz TUCHEWLBYHRPEY-PVTPYKNESA-N 0 0 513.062 7.634 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847467 554366762 /nfs/dbraw/zinc/36/67/62/554366762.db2.gz CEJSCSRABODZLW-WZOHSFFVSA-N 0 0 511.987 5.884 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847531 554366728 /nfs/dbraw/zinc/36/67/28/554366728.db2.gz IJJBBPJUIOMJAY-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847929 554367277 /nfs/dbraw/zinc/36/72/77/554367277.db2.gz KMDHIXNOHKOFNR-VKIDHGPPSA-N 0 0 511.043 6.293 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1Cl ZINC000058848263 554367627 /nfs/dbraw/zinc/36/76/27/554367627.db2.gz RQTAEWVUBZPZAE-VYKTZEHYSA-N 0 0 509.071 7.063 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848375 554367697 /nfs/dbraw/zinc/36/76/97/554367697.db2.gz PUZNUKFVOCXMCT-YZUZCNPQSA-N 0 0 504.961 6.986 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848404 554367948 /nfs/dbraw/zinc/36/79/48/554367948.db2.gz MHNYVJLOJZOKTR-YZUZCNPQSA-N 0 0 515.513 6.241 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848419 554368103 /nfs/dbraw/zinc/36/81/03/554368103.db2.gz FLFYCYGNYPDSJD-XLNZFTOWSA-N 0 0 504.961 6.986 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058848739 554368252 /nfs/dbraw/zinc/36/82/52/554368252.db2.gz VUUQORZDGOPHOW-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c(OC)c1 ZINC000058849321 554368695 /nfs/dbraw/zinc/36/86/95/554368695.db2.gz AKIWQVLTCGYNST-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000058903811 554371234 /nfs/dbraw/zinc/37/12/34/554371234.db2.gz LZHIKTGETZUXBU-PKAZHMFMSA-N 0 0 528.580 5.844 40 10 KKCBRN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1C ZINC000058992851 554371616 /nfs/dbraw/zinc/37/16/16/554371616.db2.gz BBRQXZRHGIBHAC-HOPZWBBKSA-N 0 0 534.645 5.790 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000100398943 554372271 /nfs/dbraw/zinc/37/22/71/554372271.db2.gz QKDAYEIPXITEGU-XIEYBQDHSA-N 0 0 551.158 7.931 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000059106227 554380610 /nfs/dbraw/zinc/38/06/10/554380610.db2.gz NKMRPHICRCDWJT-USHMODERSA-N 0 0 525.651 7.472 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000100415187 554380820 /nfs/dbraw/zinc/38/08/20/554380820.db2.gz CUWFBYOASYQHLD-UDWIEESQSA-N 0 0 579.310 7.336 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415391 554381572 /nfs/dbraw/zinc/38/15/72/554381572.db2.gz IYQTVQXGMVBYEC-HKBOAZHASA-N 0 0 525.866 5.054 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000059138970 554382677 /nfs/dbraw/zinc/38/26/77/554382677.db2.gz RJPBTZDMWHJFTC-IMRQLAEWSA-N 0 0 509.993 6.639 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139051 554382846 /nfs/dbraw/zinc/38/28/46/554382846.db2.gz UGDGTGMILNVDLX-JWGURIENSA-N 0 0 517.368 7.145 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059139023 554382841 /nfs/dbraw/zinc/38/28/41/554382841.db2.gz JXOIPLPBUDVWBG-NLRVBDNBSA-N 0 0 524.020 6.948 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139045 554382897 /nfs/dbraw/zinc/38/28/97/554382897.db2.gz WGNFFHOXGRBSEY-KQWNVCNZSA-N 0 0 517.368 7.145 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)SC1=S ZINC000059192382 554384155 /nfs/dbraw/zinc/38/41/55/554384155.db2.gz UNUZHZNQMGEAHA-YVLHZVERSA-N 0 0 513.276 6.012 40 10 KKCBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000059331500 554388779 /nfs/dbraw/zinc/38/87/79/554388779.db2.gz FHCDXGMJPPHEGX-UHFFFAOYSA-N 0 0 517.832 5.777 40 10 KKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)O2)cc1 ZINC000059425794 554395242 /nfs/dbraw/zinc/39/52/42/554395242.db2.gz NTWUQRMXFHEIBU-ZHZULCJRSA-N 0 0 511.359 6.079 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000059514602 554401543 /nfs/dbraw/zinc/40/15/43/554401543.db2.gz KSRQFUUCIAPDAE-CIAFOILYSA-N 0 0 509.521 5.710 40 10 KKCBRN CN(C)c1nc(-c2ccc(Cl)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccc(Cl)cc1 ZINC000059608307 554410961 /nfs/dbraw/zinc/41/09/61/554410961.db2.gz UGBMQSJOLLHWKX-BYYHNAKLSA-N 0 0 526.340 7.144 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000059608979 554411851 /nfs/dbraw/zinc/41/18/51/554411851.db2.gz SZPNHOPAZVBJMG-QRVIBDJDSA-N 0 0 528.468 6.877 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000059609006 554411857 /nfs/dbraw/zinc/41/18/57/554411857.db2.gz VNCDHZMYXCSEFQ-KSEXSDGBSA-N 0 0 534.917 7.936 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)SC2=S)cc1 ZINC000059609011 554411860 /nfs/dbraw/zinc/41/18/60/554411860.db2.gz DFYUCZTVCPFNGL-YUMHPJSZSA-N 0 0 560.538 7.891 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059608991 554411911 /nfs/dbraw/zinc/41/19/11/554411911.db2.gz MFICBBHCJXUKRP-CFRMEGHHSA-N 0 0 530.498 7.291 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000059609133 554412134 /nfs/dbraw/zinc/41/21/34/554412134.db2.gz OVZYVASZGHEZLJ-MYYYXRDXSA-N 0 0 554.531 7.137 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Br)c3)SC2=S)cc1 ZINC000059609104 554412174 /nfs/dbraw/zinc/41/21/74/554412174.db2.gz WKSOPJAYBPHLKL-QRVIBDJDSA-N 0 0 544.467 6.577 40 10 KKCBRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000059690727 554424617 /nfs/dbraw/zinc/42/46/17/554424617.db2.gz XBAFPQPMEXWMQN-ACOCPHQRSA-N 0 0 559.445 5.602 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000059959310 554484457 /nfs/dbraw/zinc/48/44/57/554484457.db2.gz HQTUEKQYVFXEGM-HAHDFKILSA-N 0 0 504.380 5.905 40 10 KKCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000100921471 554521289 /nfs/dbraw/zinc/52/12/89/554521289.db2.gz DLGOAPFFNFSEFR-DIBXZPPDSA-N 0 0 534.081 6.110 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1I ZINC000100936041 554529695 /nfs/dbraw/zinc/52/96/95/554529695.db2.gz MWYHKERIPOCQTL-STZFKDTASA-N 0 0 557.434 5.912 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100971639 554543849 /nfs/dbraw/zinc/54/38/49/554543849.db2.gz ADGIJLJDCJHYOY-YVNNLAQVSA-N 0 0 570.441 8.006 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000101002060 554552554 /nfs/dbraw/zinc/55/25/54/554552554.db2.gz FYKNCONTJUNQNI-SXGWCWSVSA-N 0 0 516.269 5.986 40 10 KKCBRN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000101002448 554552920 /nfs/dbraw/zinc/55/29/20/554552920.db2.gz LZJYELVEHGXGLK-WCWDXBQESA-N 0 0 612.824 5.373 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1OC ZINC000101005446 554553721 /nfs/dbraw/zinc/55/37/21/554553721.db2.gz PQNZRFSIFRPNFV-JAIQZWGSSA-N 0 0 579.647 5.610 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1OC ZINC000101005684 554553726 /nfs/dbraw/zinc/55/37/26/554553726.db2.gz FGNJFSGGPMDDJY-HMAPJEAMSA-N 0 0 607.701 6.390 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101006083 554553982 /nfs/dbraw/zinc/55/39/82/554553982.db2.gz DJCNZFRKYFIPPM-IWIPYMOSSA-N 0 0 581.140 6.938 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101006527 554554184 /nfs/dbraw/zinc/55/41/84/554554184.db2.gz WNGOVCFPGVUKQG-HAHDFKILSA-N 0 0 556.178 7.096 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 ZINC000101006521 554554189 /nfs/dbraw/zinc/55/41/89/554554189.db2.gz NZWZDHHBOXUYGI-ULJHMMPZSA-N 0 0 535.760 6.751 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000101006798 554554308 /nfs/dbraw/zinc/55/43/08/554554308.db2.gz KQEAQMWYCAIHIC-ZHZULCJRSA-N 0 0 539.506 6.411 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 ZINC000101006671 554554328 /nfs/dbraw/zinc/55/43/28/554554328.db2.gz YKGRIYGGXJRVMP-CLCOLTQESA-N 0 0 540.707 6.052 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000101006715 554554337 /nfs/dbraw/zinc/55/43/37/554554337.db2.gz UMHWKEICRQFAJL-KQWNVCNZSA-N 0 0 605.729 7.162 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1OC ZINC000101006791 554554349 /nfs/dbraw/zinc/55/43/49/554554349.db2.gz HAPJYWYLCRDBOF-BKUYFWCQSA-N 0 0 573.058 6.776 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000101006817 554554401 /nfs/dbraw/zinc/55/44/01/554554401.db2.gz URKQCXCSPJOQAR-QNGOZBTKSA-N 0 0 596.512 5.709 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Br ZINC000101006986 554554766 /nfs/dbraw/zinc/55/47/66/554554766.db2.gz ZPSFVELXPPFIRF-MOSHPQCFSA-N 0 0 533.469 5.578 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Br)cc1 ZINC000101006989 554554769 /nfs/dbraw/zinc/55/47/69/554554769.db2.gz VVLGUHPFRFNWDH-MOSHPQCFSA-N 0 0 533.469 5.578 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000101006977 554554827 /nfs/dbraw/zinc/55/48/27/554554827.db2.gz NSOMFGCMUPTXRQ-JAIQZWGSSA-N 0 0 557.015 6.488 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000101007106 554554946 /nfs/dbraw/zinc/55/49/46/554554946.db2.gz WWGQTZGMWVXOOL-MOSHPQCFSA-N 0 0 571.042 6.546 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 ZINC000101007171 554554991 /nfs/dbraw/zinc/55/49/91/554554991.db2.gz NRKYVMUPLNNJNW-JWGURIENSA-N 0 0 551.715 5.997 40 10 KKCBRN CCCCN(CCCC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000101008039 554556117 /nfs/dbraw/zinc/55/61/17/554556117.db2.gz BOEVUWIMELOZCU-LJAQVGFWSA-N 0 0 560.167 8.394 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1OC ZINC000101011553 554558068 /nfs/dbraw/zinc/55/80/68/554558068.db2.gz OIIOCJPFKNLZLA-QQXSKIMKSA-N 0 0 556.105 6.389 40 10 KKCBRN CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000101013531 554558912 /nfs/dbraw/zinc/55/89/12/554558912.db2.gz HXDOQDQUCOXWGL-XHPQRKPJSA-N 0 0 580.801 6.104 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)SC(=S)N1c1ccc2ccccc2c1 ZINC000101016926 554560668 /nfs/dbraw/zinc/56/06/68/554560668.db2.gz ZKZHFFXXHMZQOT-QURGRASLSA-N 0 0 514.678 6.634 40 10 KKCBRN CCCCNC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)NCCCC)cc4)C3=O)SC2=S)cc1 ZINC000101016989 554560672 /nfs/dbraw/zinc/56/06/72/554560672.db2.gz DSOJQSQPOHWUQR-QURGRASLSA-N 0 0 612.824 5.388 40 10 KKCBRN CCCOC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OCCC)cc4)C3=O)SC2=S)cc1 ZINC000101017045 554560809 /nfs/dbraw/zinc/56/08/09/554560809.db2.gz DQQAYUPUQWDHAT-WCWDXBQESA-N 0 0 614.792 5.319 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000101093327 554583297 /nfs/dbraw/zinc/58/32/97/554583297.db2.gz NFDJEERGVZAYHR-FOKLQQMPSA-N 0 0 563.453 8.421 40 10 KKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNCCCCCCNC=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000101148250 554656519 /nfs/dbraw/zinc/65/65/19/554656519.db2.gz CMKUZUHUZDCFEW-RPCRKUJJSA-N 0 0 553.494 5.646 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590436 554802804 /nfs/dbraw/zinc/80/28/04/554802804.db2.gz MBCLLPFLPMTNMW-JFHPUIQFSA-N 0 0 539.587 5.928 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 ZINC000102469466 554936189 /nfs/dbraw/zinc/93/61/89/554936189.db2.gz AQNBZGVRVTWRIL-UFGRWAPUSA-N 0 0 576.074 6.509 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102548891 554960562 /nfs/dbraw/zinc/96/05/62/554960562.db2.gz QMYVORMYUDWLMK-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)N2c3c(ccc4cccnc43)C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102555068 554963986 /nfs/dbraw/zinc/96/39/86/554963986.db2.gz PZCYUVBFWJAFIH-JGBIIJINSA-N 0 0 576.652 6.950 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102558521 554965787 /nfs/dbraw/zinc/96/57/87/554965787.db2.gz RPDXZPJKOADMGC-RTOKGZNSSA-N 0 0 555.630 6.329 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102558342 554965824 /nfs/dbraw/zinc/96/58/24/554965824.db2.gz VPDQNANIRNNXRR-PKTNWEFCSA-N 0 0 612.103 6.744 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000102631812 554989560 /nfs/dbraw/zinc/98/95/60/554989560.db2.gz ZFVWXMACRMEQBQ-ZNRKBWGRSA-N 0 0 569.727 5.221 40 10 KKCBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000102675874 555004175 /nfs/dbraw/zinc/00/41/75/555004175.db2.gz UWNISXSIGOHIFQ-XKZYESRVSA-N 0 0 547.724 8.010 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000102867469 555097025 /nfs/dbraw/zinc/09/70/25/555097025.db2.gz GLPAZNJHLYOPHG-DYIKCSJPSA-N 0 0 580.467 7.318 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102885937 555116349 /nfs/dbraw/zinc/11/63/49/555116349.db2.gz FADNXZFPFKRRCL-MJSOWUPRSA-N 0 0 560.049 7.055 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102887861 555120084 /nfs/dbraw/zinc/12/00/84/555120084.db2.gz QQFBTAGDOYIDAD-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102888775 555122219 /nfs/dbraw/zinc/12/22/19/555122219.db2.gz DERMLRCNYMCPRN-MJSOWUPRSA-N 0 0 594.038 6.813 40 10 KKCBRN Cc1c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3/N=N/c3ccc(C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000102938403 555166666 /nfs/dbraw/zinc/16/66/66/555166666.db2.gz QCKOINKUDFMPMG-ULDVOPSXSA-N 0 0 629.142 7.223 40 10 KKCBRN Cc1cc(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000103066941 555247099 /nfs/dbraw/zinc/24/70/99/555247099.db2.gz UMWTXMJFIYKLNA-UHFFFAOYSA-N 0 0 584.499 6.178 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000103245408 555343070 /nfs/dbraw/zinc/34/30/70/555343070.db2.gz RFKIJHPNKNEDNJ-ZDSURBCBSA-N 0 0 523.062 5.078 40 10 KKCBRN CCCc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332889 555360118 /nfs/dbraw/zinc/36/01/18/555360118.db2.gz LGZVEMJNEFQJAH-QKJFBPPTSA-N 0 0 548.683 6.236 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103534663 555434772 /nfs/dbraw/zinc/43/47/72/555434772.db2.gz CKKLTSSHNXLBGN-NGDRWEMDSA-N 0 0 546.022 6.665 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103541148 555438438 /nfs/dbraw/zinc/43/84/38/555438438.db2.gz RKHHZMPPQMXDKE-IDZRBWSNSA-N 0 0 590.473 6.774 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103541818 555438645 /nfs/dbraw/zinc/43/86/45/555438645.db2.gz WCRINCQYDGYOFZ-IDZRBWSNSA-N 0 0 574.564 6.059 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545087 555440103 /nfs/dbraw/zinc/44/01/03/555440103.db2.gz VJWPAUHYKSNSLW-LSBIRFPWSA-N 0 0 550.611 5.012 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103547040 555441342 /nfs/dbraw/zinc/44/13/42/555441342.db2.gz YDTAWHYCKXEPTF-JFHPUIQFSA-N 0 0 571.629 6.029 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103553307 555444888 /nfs/dbraw/zinc/44/48/88/555444888.db2.gz ASTJLJCZELZDQM-AYQJTBPPSA-N 0 0 570.601 6.310 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000103555902 555446248 /nfs/dbraw/zinc/44/62/48/555446248.db2.gz FEAKJRLNMOIUML-PLJDCMBSSA-N 0 0 597.711 7.219 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCC ZINC000103759041 555470854 /nfs/dbraw/zinc/47/08/54/555470854.db2.gz GHIWZFBJZKMCQW-UHFFFAOYSA-N 0 0 563.448 6.447 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000103759067 555470896 /nfs/dbraw/zinc/47/08/96/555470896.db2.gz BZHDLXNZJABKFX-UHFFFAOYSA-N 0 0 577.475 6.837 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)cc1 ZINC000103785288 555477462 /nfs/dbraw/zinc/47/74/62/555477462.db2.gz RFPBEZDNLNHGPQ-MDYVMDJYSA-N 0 0 600.788 6.713 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000103785277 555477527 /nfs/dbraw/zinc/47/75/27/555477527.db2.gz OVFDPRHOEVBBAS-AZJUONQGSA-N 0 0 586.761 6.405 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791118 555480861 /nfs/dbraw/zinc/48/08/61/555480861.db2.gz UAZPDJOGRPNECD-WWDVYCDYSA-N 0 0 619.790 7.402 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000103855013 571365884 /nfs/dbraw/zinc/36/58/84/571365884.db2.gz ILHNQYPFTDMNCS-IMRQLAEWSA-N 0 0 615.471 6.899 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000103855007 571365942 /nfs/dbraw/zinc/36/59/42/571365942.db2.gz WNDHWEFRVSAXHC-IMRQLAEWSA-N 0 0 554.444 6.748 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000103855219 571365981 /nfs/dbraw/zinc/36/59/81/571365981.db2.gz GDBUHUZGXNZMOU-STKMKYKTSA-N 0 0 599.662 7.704 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855438 571366035 /nfs/dbraw/zinc/36/60/35/571366035.db2.gz FUSVQJOFPIZGTB-XQNSMLJCSA-N 0 0 527.920 6.400 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000103855312 571366046 /nfs/dbraw/zinc/36/60/46/571366046.db2.gz PVFIAPVCURGIAR-PCLIKHOPSA-N 0 0 527.983 6.778 40 10 KKCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000103856903 571366292 /nfs/dbraw/zinc/36/62/92/571366292.db2.gz HOCDHFHVLJXCNE-UHFFFAOYSA-N 0 0 528.461 5.579 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103857087 571366336 /nfs/dbraw/zinc/36/63/36/571366336.db2.gz HIBDIEQVJLPJRU-UHFFFAOYSA-N 0 0 539.451 5.179 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103874582 571368400 /nfs/dbraw/zinc/36/84/00/571368400.db2.gz ZDVULOILIYOASX-OVVQPSECSA-N 0 0 608.789 6.735 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103900526 571368912 /nfs/dbraw/zinc/36/89/12/571368912.db2.gz HARRVVAHGATQOH-WENCSYSZSA-N 0 0 573.358 9.293 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103901135 571368951 /nfs/dbraw/zinc/36/89/51/571368951.db2.gz YCFYACZBCMXNFI-YTZAWJCFSA-N 0 0 599.274 9.189 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103913769 571369532 /nfs/dbraw/zinc/36/95/32/571369532.db2.gz MAMWCTVIOYUAIZ-XDYZZPCYSA-N 0 0 612.582 7.042 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104096177 571373668 /nfs/dbraw/zinc/37/36/68/571373668.db2.gz GPLGNKOHHFDARS-XKYFYQGDSA-N 0 0 573.646 5.639 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(/N=N\c3ccccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1 ZINC000104116379 571374152 /nfs/dbraw/zinc/37/41/52/571374152.db2.gz SOXMZPIOFDVBRC-KARKAFJISA-N 0 0 559.507 8.789 40 10 KKCBRN Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000104293060 571378489 /nfs/dbraw/zinc/37/84/89/571378489.db2.gz OJMMMDVCYDKEKS-KNWKATPGSA-N 0 0 534.019 8.263 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645771 571381763 /nfs/dbraw/zinc/38/17/63/571381763.db2.gz KVOJLBHGCMWPSD-CUMRGQLISA-N 0 0 553.478 6.368 40 10 KKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645555 571381860 /nfs/dbraw/zinc/38/18/60/571381860.db2.gz OPYXNDPWMXEMDR-DFXHWTJYSA-N 0 0 539.451 6.114 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646748 571381893 /nfs/dbraw/zinc/38/18/93/571381893.db2.gz CNCDDRCZJOZDBF-DFIYOIEZSA-N 0 0 545.886 6.738 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104646222 571381901 /nfs/dbraw/zinc/38/19/01/571381901.db2.gz QXTWZRNZPIPGMV-FVXXUCQHSA-N 0 0 547.507 8.288 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104646357 571381922 /nfs/dbraw/zinc/38/19/22/571381922.db2.gz KHKPOSYJDYAXMC-ADRXYBOHSA-N 0 0 522.626 6.710 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646737 571381970 /nfs/dbraw/zinc/38/19/70/571381970.db2.gz FAYWRLWZAONRFH-LZCXECNNSA-N 0 0 527.042 5.993 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646663 571382000 /nfs/dbraw/zinc/38/20/00/571382000.db2.gz XSXDGYBHOHLBRD-ADRXYBOHSA-N 0 0 588.085 7.455 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647080 571382044 /nfs/dbraw/zinc/38/20/44/571382044.db2.gz NVXKZQIRICWTNV-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646976 571382112 /nfs/dbraw/zinc/38/21/12/571382112.db2.gz KKSAYDONDFWVHU-CUAXAMRHSA-N 0 0 561.487 6.647 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647351 571382190 /nfs/dbraw/zinc/38/21/90/571382190.db2.gz OVABEWJOINDBCG-BALWLHIASA-N 0 0 559.515 7.418 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648011 571382270 /nfs/dbraw/zinc/38/22/70/571382270.db2.gz WOKNTKUJVLWXOK-GLDPYIMESA-N 0 0 550.305 7.383 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1Cl ZINC000104647973 571382289 /nfs/dbraw/zinc/38/22/89/571382289.db2.gz DQYNCFJCVSXBLQ-DFXHWTJYSA-N 0 0 573.896 6.767 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647672 571382307 /nfs/dbraw/zinc/38/23/07/571382307.db2.gz NWKRUVUODLGTPA-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647730 571382386 /nfs/dbraw/zinc/38/23/86/571382386.db2.gz JVVNOBFFJSZNQH-QFWOEDSFSA-N 0 0 539.097 7.073 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648286 571382427 /nfs/dbraw/zinc/38/24/27/571382427.db2.gz KQBCZPGZUFKLOO-SGIRGMQISA-N 0 0 539.451 5.863 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648074 571382495 /nfs/dbraw/zinc/38/24/95/571382495.db2.gz LCKGOMWWJUKYNM-DFIYOIEZSA-N 0 0 541.467 6.094 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648203 571382531 /nfs/dbraw/zinc/38/25/31/571382531.db2.gz NFRPHADYCKOOFB-GLDPYIMESA-N 0 0 550.305 7.383 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648302 571382535 /nfs/dbraw/zinc/38/25/35/571382535.db2.gz SVBCTRVNZMOECO-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648394 571382545 /nfs/dbraw/zinc/38/25/45/571382545.db2.gz MSMCPHMIOOJWHQ-GLDPYIMESA-N 0 0 539.406 7.640 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648497 571382606 /nfs/dbraw/zinc/38/26/06/571382606.db2.gz PXFPCURXRYAMCV-WZOHSFFVSA-N 0 0 545.539 6.250 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649257 571382779 /nfs/dbraw/zinc/38/27/79/571382779.db2.gz PDPZMSLIIPJDBY-PVTPYKNESA-N 0 0 573.512 7.869 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104648973 571382781 /nfs/dbraw/zinc/38/27/81/571382781.db2.gz DZIPJEWZCALXPN-NPLMNSEMSA-N 0 0 583.666 6.810 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649296 571382787 /nfs/dbraw/zinc/38/27/87/571382787.db2.gz LHDSEFDMKPPKHH-XKVZAPNPSA-N 0 0 554.668 7.123 40 10 KKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649181 571382832 /nfs/dbraw/zinc/38/28/32/571382832.db2.gz PQKNUXRYSAORMA-NGKQEFFVSA-N 0 0 522.670 7.723 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104649909 571383195 /nfs/dbraw/zinc/38/31/95/571383195.db2.gz DKIOSZHDLMCPLH-ANSQWYIGSA-N 0 0 526.014 6.193 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1Cl ZINC000104650469 571383316 /nfs/dbraw/zinc/38/33/16/571383316.db2.gz RUJLUXUAVFCFPM-CEYNDMKZSA-N 0 0 529.887 7.038 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650557 571383334 /nfs/dbraw/zinc/38/33/34/571383334.db2.gz JSERPDOMKNRQJI-BBANNHEPSA-N 0 0 547.051 7.899 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657324 571384325 /nfs/dbraw/zinc/38/43/25/571384325.db2.gz DDSOJUJHVGUZIJ-SAGCDJCOSA-N 0 0 578.137 6.388 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000104660493 571385010 /nfs/dbraw/zinc/38/50/10/571385010.db2.gz ZKIDNCGCPMCFAY-UHFFFAOYSA-N 0 0 536.216 5.934 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303635 571392775 /nfs/dbraw/zinc/39/27/75/571392775.db2.gz GCFSTIRNMVFCEY-QPJJXVBHSA-N 0 0 561.447 5.407 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc2c(Br)cccc12 ZINC000105304476 571393262 /nfs/dbraw/zinc/39/32/62/571393262.db2.gz RGKDLEBTGQDSNP-UHFFFAOYSA-N 0 0 523.839 6.614 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000105497109 571405313 /nfs/dbraw/zinc/40/53/13/571405313.db2.gz ZTZIHHSWJOTZNB-IKHSWBDUSA-N 0 0 633.770 5.890 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499256 571406059 /nfs/dbraw/zinc/40/60/59/571406059.db2.gz MHJRGEZSYKDSNN-ZGOFBEGVSA-N 0 0 622.610 5.690 40 10 KKCBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000105501701 571406700 /nfs/dbraw/zinc/40/67/00/571406700.db2.gz JNSYCOCGTWJHNU-ORSAVRBESA-N 0 0 534.413 7.005 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000105509532 571406702 /nfs/dbraw/zinc/40/67/02/571406702.db2.gz YBTRJESKKVCZQU-UHFFFAOYSA-N 0 0 570.670 7.176 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000105669122 571408143 /nfs/dbraw/zinc/40/81/43/571408143.db2.gz OGMDCCLGQKOMGZ-KEBDBYFISA-N 0 0 513.940 6.355 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106683687 571413520 /nfs/dbraw/zinc/41/35/20/571413520.db2.gz LESQVHUUYQWNPH-UUYOSTAYSA-N 0 0 529.887 7.363 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106684020 571413531 /nfs/dbraw/zinc/41/35/31/571413531.db2.gz UMCGEGJAUUIIPE-QFEZKATASA-N 0 0 586.939 6.583 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106689312 571413943 /nfs/dbraw/zinc/41/39/43/571413943.db2.gz JIZLJTOLZNEORU-ROTLSHHCSA-N 0 0 571.486 7.146 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106692244 571413977 /nfs/dbraw/zinc/41/39/77/571413977.db2.gz YVVAYMZACPPIFZ-QFEZKATASA-N 0 0 520.586 5.978 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106696111 571414031 /nfs/dbraw/zinc/41/40/31/571414031.db2.gz FUURFDDFGCVPGI-QFEZKATASA-N 0 0 536.585 5.215 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)c2C)cc1 ZINC000106700134 571414411 /nfs/dbraw/zinc/41/44/11/571414411.db2.gz YGAYOIJBRVANJG-XYGWBWBKSA-N 0 0 523.054 6.941 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106709794 571415163 /nfs/dbraw/zinc/41/51/63/571415163.db2.gz ZEEGOTPLZBVPKP-XKZIYDEJSA-N 0 0 571.440 5.682 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106732289 571416572 /nfs/dbraw/zinc/41/65/72/571416572.db2.gz YHSBZWWHMJWBSS-PKAZHMFMSA-N 0 0 549.534 8.141 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106730767 571416576 /nfs/dbraw/zinc/41/65/76/571416576.db2.gz VSKXWLIWFDYDIE-FBHDLOMBSA-N 0 0 536.278 7.400 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106732369 571416656 /nfs/dbraw/zinc/41/66/56/571416656.db2.gz ZHLBCWWUTBFYIF-QFEZKATASA-N 0 0 596.344 8.009 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Br ZINC000223097770 571430647 /nfs/dbraw/zinc/43/06/47/571430647.db2.gz UJJNEJPTPBESOE-LOSJGSFVSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Br)c1 ZINC000223098011 571430746 /nfs/dbraw/zinc/43/07/46/571430746.db2.gz MOPSHYSRVGVJNB-LOSJGSFVSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Br ZINC000223097814 571430799 /nfs/dbraw/zinc/43/07/99/571430799.db2.gz UJJNEJPTPBESOE-DQEYMECFSA-N 0 0 509.517 6.557 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000111470137 571433010 /nfs/dbraw/zinc/43/30/10/571433010.db2.gz QWUIHTJZRUEVQH-ZUXOAJPSSA-N 0 0 551.712 5.125 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000111478850 571433382 /nfs/dbraw/zinc/43/33/82/571433382.db2.gz LUPUOIAGJQUESW-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223127487 571434340 /nfs/dbraw/zinc/43/43/40/571434340.db2.gz AINJOFJHPLWLHW-UHFFFAOYSA-N 0 0 534.509 5.660 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)cc21 ZINC000223171511 571440371 /nfs/dbraw/zinc/44/03/71/571440371.db2.gz IZCVDTQCHLZRSX-CLJLJLNGSA-N 0 0 526.150 5.062 40 10 KKCBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000113624161 571441316 /nfs/dbraw/zinc/44/13/16/571441316.db2.gz HZKIAODAUJMTRE-UHFFFAOYSA-N 0 0 546.520 5.880 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180761 571441611 /nfs/dbraw/zinc/44/16/11/571441611.db2.gz KCHGYXQMAMKFGS-IHLOFXLRSA-N 0 0 525.722 5.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180884 571441625 /nfs/dbraw/zinc/44/16/25/571441625.db2.gz KCHGYXQMAMKFGS-KYJUHHDHSA-N 0 0 525.722 5.337 40 10 KKCBRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000113634789 571442030 /nfs/dbraw/zinc/44/20/30/571442030.db2.gz YQYMRRMVECCLNH-UHFFFAOYSA-N 0 0 532.493 5.495 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000113635164 571442067 /nfs/dbraw/zinc/44/20/67/571442067.db2.gz SBKNLXGAWOQTFL-UHFFFAOYSA-N 0 0 580.072 6.169 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000113833451 571442663 /nfs/dbraw/zinc/44/26/63/571442663.db2.gz BZMLNXXQLZLVJE-CVKSISIWSA-N 0 0 518.059 7.487 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187559 571442686 /nfs/dbraw/zinc/44/26/86/571442686.db2.gz FUPSFVDUCHBEQM-XZWHSSHBSA-N 0 0 546.785 5.030 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000113835585 571442759 /nfs/dbraw/zinc/44/27/59/571442759.db2.gz SNDLIDVVOMGAPB-UHFFFAOYSA-N 0 0 550.636 6.652 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000113837429 571442830 /nfs/dbraw/zinc/44/28/30/571442830.db2.gz RWRGINDQPKZBAH-UDWIEESQSA-N 0 0 502.495 6.812 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190521 571442948 /nfs/dbraw/zinc/44/29/48/571442948.db2.gz OMUIZGXYKPVGGC-SXOMAYOGSA-N 0 0 524.134 5.146 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C/c5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916997 571444115 /nfs/dbraw/zinc/44/41/15/571444115.db2.gz YXNMFNAUZMYQMA-IXXHOJMRSA-N 0 0 559.879 9.719 40 10 KKCBRN CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@@H]([C@@H](C)CC(=O)C(=O)c4ccccc4)CC[C@H]3[C@H]12 ZINC000118925931 571447068 /nfs/dbraw/zinc/44/70/68/571447068.db2.gz XVYPUPYMYWLUHE-CJPIAKEJSA-N 0 0 608.772 6.138 40 10 KKCBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)[C@]12C ZINC000118933528 571447749 /nfs/dbraw/zinc/44/77/49/571447749.db2.gz ONMZIPMOVQAMQO-YCCUCLHPSA-N 0 0 566.694 6.414 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000144223929 571456410 /nfs/dbraw/zinc/45/64/10/571456410.db2.gz XTONRNGXXCVFCJ-MWLSYYOVSA-N 0 0 508.687 7.803 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCCCC2)=NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000150339675 571457600 /nfs/dbraw/zinc/45/76/00/571457600.db2.gz VYYWNTHSXKQQRY-UNICEJHHSA-N 0 0 650.436 8.395 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000223309795 571458881 /nfs/dbraw/zinc/45/88/81/571458881.db2.gz FFUMQRRHTHILOR-GLYQVZKVSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000223310267 571459006 /nfs/dbraw/zinc/45/90/06/571459006.db2.gz YCSWMEASNRMIPW-OYDLWJJNSA-N 0 0 511.489 5.403 40 10 KKCBRN O=C(c1ccccc1)c1cc(Br)ccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1 ZINC000150347999 571460957 /nfs/dbraw/zinc/46/09/57/571460957.db2.gz VBXZWGYVBZMVQZ-UHFFFAOYSA-N 0 0 657.406 8.234 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Br ZINC000223346366 571463827 /nfs/dbraw/zinc/46/38/27/571463827.db2.gz SCEPTZGJQSJHAJ-ZEQRLZLVSA-N 0 0 507.457 6.017 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000150362832 571464169 /nfs/dbraw/zinc/46/41/69/571464169.db2.gz DPJVVDUGBDIECC-NBQDTTAVSA-N 0 0 684.559 6.239 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c([N+](=O)[O-])c1 ZINC000223351579 571464537 /nfs/dbraw/zinc/46/45/37/571464537.db2.gz ORDZXHDFUHUUKO-JWQCQUIFSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Br)c3)SC2=S)cc1 ZINC000150369792 571465614 /nfs/dbraw/zinc/46/56/14/571465614.db2.gz QHJSZGNMJBETST-QRVIBDJDSA-N 0 0 652.373 7.043 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000150385010 571468571 /nfs/dbraw/zinc/46/85/71/571468571.db2.gz HNOHTGUMPUYYQD-UFWORHAWSA-N 0 0 694.732 8.990 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000150385379 571468804 /nfs/dbraw/zinc/46/88/04/571468804.db2.gz SGVITPZSJJCMMD-RGVLZGJSSA-N 0 0 624.307 7.244 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000150385382 571468783 /nfs/dbraw/zinc/46/87/83/571468783.db2.gz UHLQZCUXFHXPCU-RGVLZGJSSA-N 0 0 624.307 7.244 40 10 KKCBRN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1ccccc1-c1ccccc1 ZINC000150386725 571469503 /nfs/dbraw/zinc/46/95/03/571469503.db2.gz ONILTSMSFPVGQT-UHFFFAOYSA-N 0 0 631.797 7.267 40 10 KKCBRN CCn1c2ccccc2c2ccc(N(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)[C@H](C(=O)NC3CCCC3)c3ccc(O)c(O)c3)cc21 ZINC000150387020 571469621 /nfs/dbraw/zinc/46/96/21/571469621.db2.gz JPBFTXMOURMCRI-UMSFTDKQSA-N 0 0 666.756 5.203 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387865 571469770 /nfs/dbraw/zinc/46/97/70/571469770.db2.gz SXUROBZEZXPAMO-LOYHVIPDSA-N 0 0 509.723 6.508 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391454 571470308 /nfs/dbraw/zinc/47/03/08/571470308.db2.gz PXGAGHPZTXWXLH-SXOMAYOGSA-N 0 0 503.071 6.324 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1 ZINC000150390270 571472677 /nfs/dbraw/zinc/47/26/77/571472677.db2.gz VYVFPQLAFUTRAC-HYARGMPZSA-N 0 0 699.373 7.279 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150391050 571473281 /nfs/dbraw/zinc/47/32/81/571473281.db2.gz ARFPFNJZYNZPRZ-OEAKJJBVSA-N 0 0 634.415 7.271 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150391037 571473331 /nfs/dbraw/zinc/47/33/31/571473331.db2.gz NOLYYUWWHSHHSB-FSJBWODESA-N 0 0 624.409 7.815 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223418420 571473726 /nfs/dbraw/zinc/47/37/26/571473726.db2.gz QDSBAGISEBGTHM-FIRIVFDPSA-N 0 0 518.686 6.824 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223421339 571474022 /nfs/dbraw/zinc/47/40/22/571474022.db2.gz PLPSKKHUWXDOFJ-RRPNLBNLSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223420873 571474089 /nfs/dbraw/zinc/47/40/89/571474089.db2.gz GVHUFXQQIORLTD-SXOMAYOGSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223426221 571474861 /nfs/dbraw/zinc/47/48/61/571474861.db2.gz PNKUFHWICAHGEA-JDXGNMNLSA-N 0 0 510.707 6.596 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223428341 571475162 /nfs/dbraw/zinc/47/51/62/571475162.db2.gz NJCNRFLGMVAYRO-DGPALRBDSA-N 0 0 510.707 6.541 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)c1 ZINC000150398840 571477446 /nfs/dbraw/zinc/47/74/46/571477446.db2.gz GKYLLLXLYQLGGE-RYQLWAFASA-N 0 0 634.332 6.649 40 10 KKCBRN CCCCNC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)NCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150399423 571477692 /nfs/dbraw/zinc/47/76/92/571477692.db2.gz YNYSDKCFBADLBO-OCEACIFDSA-N 0 0 640.878 5.245 40 10 KKCBRN CCCN(CCC)C(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)N(CCC)CCC)cc4)C3=O)SC2=S)cc1 ZINC000150400375 571478068 /nfs/dbraw/zinc/47/80/68/571478068.db2.gz MBUVVOJFNJAZHU-OCEACIFDSA-N 0 0 668.932 6.852 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000150401049 571478095 /nfs/dbraw/zinc/47/80/95/571478095.db2.gz IFKNNXCSWKCVKS-BUHFOSPRSA-N 0 0 619.442 7.672 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224126846 571481474 /nfs/dbraw/zinc/48/14/74/571481474.db2.gz PDZBXFLVLLLCGC-YINAPNHOSA-N 0 0 620.266 8.955 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224128246 571482012 /nfs/dbraw/zinc/48/20/12/571482012.db2.gz WZFASQQZJUXJHI-BAVULBIOSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224129579 571482346 /nfs/dbraw/zinc/48/23/46/571482346.db2.gz ZEYXAAJQEFTUQO-CKUCSLQLSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224133516 571483148 /nfs/dbraw/zinc/48/31/48/571483148.db2.gz WMBQEASUZVILEW-NTQNKHNGSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224134104 571483367 /nfs/dbraw/zinc/48/33/67/571483367.db2.gz HWPSJXLURAERAV-ZZBMHTCRSA-N 0 0 614.215 7.531 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224134891 571483410 /nfs/dbraw/zinc/48/34/10/571483410.db2.gz RMXHEKQADHXEJN-ZZBMHTCRSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224134452 571483413 /nfs/dbraw/zinc/48/34/13/571483413.db2.gz GBCFJMKVWHZQQA-DRHZDZKSSA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224134303 571483421 /nfs/dbraw/zinc/48/34/21/571483421.db2.gz QWIUANXHIXVRDZ-ZJDQVSPWSA-N 0 0 612.287 8.727 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135921 571483815 /nfs/dbraw/zinc/48/38/15/571483815.db2.gz WBCHKMNVQBLXRJ-GEASHOLQSA-N 0 0 612.287 8.673 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224136303 571483944 /nfs/dbraw/zinc/48/39/44/571483944.db2.gz SNKCCSAINRFIQC-DPFRZXKGSA-N 0 0 585.221 7.505 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150413005 571484526 /nfs/dbraw/zinc/48/45/26/571484526.db2.gz LOKQMJSTFWMBRS-CDSIFPFTSA-N 0 0 637.527 8.223 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000223484393 571484852 /nfs/dbraw/zinc/48/48/52/571484852.db2.gz JEHVHKNJDGMNGQ-RDGATRHJSA-N 0 0 533.738 5.997 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223484997 571485020 /nfs/dbraw/zinc/48/50/20/571485020.db2.gz VZFYGSDHVVGPOT-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000150416377 571485779 /nfs/dbraw/zinc/48/57/79/571485779.db2.gz VNHDBYXLTBAZNT-WCWDXBQESA-N 0 0 722.946 6.223 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224148722 571486518 /nfs/dbraw/zinc/48/65/18/571486518.db2.gz WIUHPIAHLSPGBS-HYEYWOLSSA-N 0 0 628.242 7.589 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000150419004 571486870 /nfs/dbraw/zinc/48/68/70/571486870.db2.gz APOJQANMSKARJS-NSFGRKQPSA-N 0 0 668.775 6.934 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Br ZINC000223497308 571487149 /nfs/dbraw/zinc/48/71/49/571487149.db2.gz NCJZMTMSOHPCMG-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Br ZINC000223497366 571487154 /nfs/dbraw/zinc/48/71/54/571487154.db2.gz NCJZMTMSOHPCMG-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223499959 571487628 /nfs/dbraw/zinc/48/76/28/571487628.db2.gz WCKHFVMSBVOGTK-FQLXRVMXSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223500520 571487846 /nfs/dbraw/zinc/48/78/46/571487846.db2.gz MQGXSSSZQGYHAS-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503487 571488241 /nfs/dbraw/zinc/48/82/41/571488241.db2.gz QBKMONYYFGLAMQ-CLJLJLNGSA-N 0 0 504.059 5.719 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150422712 571488488 /nfs/dbraw/zinc/48/84/88/571488488.db2.gz GZSYAAWQLRRVRU-NDZAJKAJSA-N 0 0 787.448 9.076 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150424776 571489393 /nfs/dbraw/zinc/48/93/93/571489393.db2.gz YYZJBLWZDKCDDX-NDZAJKAJSA-N 0 0 706.549 8.380 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000150424846 571489529 /nfs/dbraw/zinc/48/95/29/571489529.db2.gz NBAAMIPOGRRIGA-AJBULDERSA-N 0 0 675.579 8.780 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000224166668 571489620 /nfs/dbraw/zinc/48/96/20/571489620.db2.gz HKHUJJOQOPVLDS-RPBOFIJWSA-N 0 0 503.469 6.429 40 10 KKCBRN O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4ccc(Br)cc4)S3)CC2)S/C1=C/c1ccc(Br)cc1 ZINC000150425674 571489886 /nfs/dbraw/zinc/48/98/86/571489886.db2.gz VUFLWCXAMVVISD-LRVMPXQBSA-N 0 0 618.376 5.470 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000223513621 571490814 /nfs/dbraw/zinc/49/08/14/571490814.db2.gz GVLAKXYPZCHBCI-VWLOTQADSA-N 0 0 533.738 5.997 40 10 KKCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000150430105 571493161 /nfs/dbraw/zinc/49/31/61/571493161.db2.gz VRUOTQMZWUUGEK-QNGWXLTQSA-N 0 0 713.905 5.056 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223523612 571493694 /nfs/dbraw/zinc/49/36/94/571493694.db2.gz LROZOHPKAMFRAN-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224202004 571495373 /nfs/dbraw/zinc/49/53/73/571495373.db2.gz DMALMLDAPCLXNU-UIOOFZCWSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224203862 571495941 /nfs/dbraw/zinc/49/59/41/571495941.db2.gz ZALGTYMIGTXFQX-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224203771 571495969 /nfs/dbraw/zinc/49/59/69/571495969.db2.gz ZALGTYMIGTXFQX-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)CC1 ZINC000150436618 571496191 /nfs/dbraw/zinc/49/61/91/571496191.db2.gz NJMSBGWXFMLCAJ-QRNPONQASA-N 0 0 747.817 6.717 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224205993 571496390 /nfs/dbraw/zinc/49/63/90/571496390.db2.gz NRCFZNSMDKFPAC-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S)Nc1ccc(Cl)cc1 ZINC000150439473 571497371 /nfs/dbraw/zinc/49/73/71/571497371.db2.gz CSJRFAVZKREWEF-OCEACIFDSA-N 0 0 709.768 7.624 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223539961 571497945 /nfs/dbraw/zinc/49/79/45/571497945.db2.gz WMYMUSXFFAXMLP-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1OC ZINC000150443183 571499307 /nfs/dbraw/zinc/49/93/07/571499307.db2.gz UPQUAXWYSQMZOM-JAIQZWGSSA-N 0 0 707.304 7.392 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)SC1=S)Nc1ccccc1C(F)(F)F ZINC000150444478 571499660 /nfs/dbraw/zinc/49/96/60/571499660.db2.gz GBZGHJNMJYAQRW-FMQUCBEESA-N 0 0 692.710 6.014 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000150444434 571499757 /nfs/dbraw/zinc/49/97/57/571499757.db2.gz LPXDOBJXZQNGGV-QNEJGDQOSA-N 0 0 721.008 5.661 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)SC1=S)Nc1ccc2ccccc2c1 ZINC000150444919 571499902 /nfs/dbraw/zinc/49/99/02/571499902.db2.gz VHKIBYCFNZDKFV-BYYHNAKLSA-N 0 0 656.836 6.283 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)SC1=S)Nc1cccc(Br)c1 ZINC000150444915 571499907 /nfs/dbraw/zinc/49/99/07/571499907.db2.gz WPXCFXSMLKLXAV-FMQUCBEESA-N 0 0 714.508 5.501 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000150445487 571500481 /nfs/dbraw/zinc/50/04/81/571500481.db2.gz KIENTZHQNANMPC-ZSRGTNOTSA-N 0 0 666.669 7.028 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224224791 571500822 /nfs/dbraw/zinc/50/08/22/571500822.db2.gz QYURYJAXNSTAIE-CLJLJLNGSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224225051 571501096 /nfs/dbraw/zinc/50/10/96/571501096.db2.gz AMFLFZYTTLYTJN-XZWHSSHBSA-N 0 0 523.706 5.811 40 10 KKCBRN CC(/C=C1/SC(=S)N(CCC(=O)NCCN2CCN(C(=O)CCCN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O)=C\c1ccccc1 ZINC000150447563 571501489 /nfs/dbraw/zinc/50/14/89/571501489.db2.gz BMHRMSBURUPPSC-SXWVIHDSSA-N 0 0 774.072 6.113 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000150450356 571502473 /nfs/dbraw/zinc/50/24/73/571502473.db2.gz DSWYZYNZHZCTJD-XDPYRALESA-N 0 0 688.922 5.353 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1C ZINC000223567678 571503674 /nfs/dbraw/zinc/50/36/74/571503674.db2.gz UXZFNEGXQAMLIY-PUDRWSQFSA-N 0 0 505.684 6.479 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240536 571504542 /nfs/dbraw/zinc/50/45/42/571504542.db2.gz DQEMOZZKDDUXJX-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224258030 571508162 /nfs/dbraw/zinc/50/81/62/571508162.db2.gz WYIIOBHPMZONDW-IOWSJCHKSA-N 0 0 537.733 6.120 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)SC1=S)N(CCO)c1ccccc1 ZINC000150469177 571508568 /nfs/dbraw/zinc/50/85/68/571508568.db2.gz ZIRGLZLZNZCJAO-QVIHXGFCSA-N 0 0 728.984 5.090 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)SC1=S)Nc1ccc2ccccc2c1 ZINC000150469688 571508743 /nfs/dbraw/zinc/50/87/43/571508743.db2.gz MQYQUAPNTPSIGQ-QVIHXGFCSA-N 0 0 684.890 7.063 40 10 KKCBRN CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3OCC)C2=O)SC1=S ZINC000150469677 571508786 /nfs/dbraw/zinc/50/87/86/571508786.db2.gz HXRSVLZCTHMTNJ-OCEACIFDSA-N 0 0 672.876 5.554 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000150469988 571508943 /nfs/dbraw/zinc/50/89/43/571508943.db2.gz LGXKSGLLEKPRKF-OCEACIFDSA-N 0 0 778.658 8.930 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)SC1=S)Nc1nc2ccccc2s1 ZINC000150469861 571509008 /nfs/dbraw/zinc/50/90/08/571509008.db2.gz YUGIABCCWUOZQG-QURGRASLSA-N 0 0 698.924 5.976 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000150470059 571509100 /nfs/dbraw/zinc/50/91/00/571509100.db2.gz WEQGLGCHPPCSHA-HEFFKOSUSA-N 0 0 793.074 9.651 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)SC1=S)N1CCCCCC1 ZINC000150470067 571509135 /nfs/dbraw/zinc/50/91/35/571509135.db2.gz IHANJDVAZLROQK-OCEACIFDSA-N 0 0 652.974 5.845 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)SC1=S)NC1CCCCC1 ZINC000150470128 571509240 /nfs/dbraw/zinc/50/92/40/571509240.db2.gz CZQSQIPIXPTKCQ-OCEACIFDSA-N 0 0 652.974 5.937 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224265384 571509667 /nfs/dbraw/zinc/50/96/67/571509667.db2.gz YFDPZAHAPSFXDX-CONSDPRKSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224266725 571510038 /nfs/dbraw/zinc/51/00/38/571510038.db2.gz XVGPJXDLQRRSSA-SVBPBHIXSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224272399 571510989 /nfs/dbraw/zinc/51/09/89/571510989.db2.gz GRIUOZDIDQONKC-NSOVKSMOSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150482632 571513311 /nfs/dbraw/zinc/51/33/11/571513311.db2.gz JOKKBZZNZSCRMS-SRZZPIQSSA-N 0 0 628.340 7.591 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616214 571514668 /nfs/dbraw/zinc/51/46/68/571514668.db2.gz TUSMNISVHSOBDE-SSVUZXLWSA-N 0 0 526.102 6.824 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000223616490 571514693 /nfs/dbraw/zinc/51/46/93/571514693.db2.gz HBBYKYYHLHAUFM-ILRHRSLTSA-N 0 0 521.683 6.179 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1Br ZINC000224301891 571517260 /nfs/dbraw/zinc/51/72/60/571517260.db2.gz SFBFWHNEQRDXJE-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224302178 571517492 /nfs/dbraw/zinc/51/74/92/571517492.db2.gz IBOMNHNSYUOVLL-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224304773 571517838 /nfs/dbraw/zinc/51/78/38/571517838.db2.gz UIMUHCBDJVYICI-SVBPBHIXSA-N 0 0 521.517 7.590 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304242 571517931 /nfs/dbraw/zinc/51/79/31/571517931.db2.gz YDWRBZRWNQNWNG-JSOSNVBQSA-N 0 0 523.750 7.129 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224304439 571517941 /nfs/dbraw/zinc/51/79/41/571517941.db2.gz AKVDONFVFWBZCE-SXOMAYOGSA-N 0 0 521.517 7.590 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223656268 571521488 /nfs/dbraw/zinc/52/14/88/571521488.db2.gz CFPTWTHQFYSOCA-GOTSBHOMSA-N 0 0 503.455 5.332 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224321202 571521547 /nfs/dbraw/zinc/52/15/47/571521547.db2.gz PRTCAUSRBJYYLU-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000224325432 571522266 /nfs/dbraw/zinc/52/22/66/571522266.db2.gz ORCKCJIPQHCPFO-CONSDPRKSA-N 0 0 537.733 6.065 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N(C)C1=S ZINC000164428292 571547430 /nfs/dbraw/zinc/54/74/30/571547430.db2.gz KNJCTHIPLNJLST-UHFFFAOYSA-N 0 0 640.124 5.538 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000224338372 571525461 /nfs/dbraw/zinc/52/54/61/571525461.db2.gz OVMVWTWRSXSVNM-IOWSJCHKSA-N 0 0 523.750 7.075 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000224340525 571525840 /nfs/dbraw/zinc/52/58/40/571525840.db2.gz ZRFGEONDVQCKIX-VSGBNLITSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000224341280 571525973 /nfs/dbraw/zinc/52/59/73/571525973.db2.gz UJRJIDOCRKUQTQ-VSGBNLITSA-N 0 0 527.650 6.145 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223687515 571526927 /nfs/dbraw/zinc/52/69/27/571526927.db2.gz WDPVVWAVUJGLQX-XZOQPEGZSA-N 0 0 502.562 5.044 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223687428 571526936 /nfs/dbraw/zinc/52/69/36/571526936.db2.gz WDPVVWAVUJGLQX-GOTSBHOMSA-N 0 0 502.562 5.044 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223692021 571528108 /nfs/dbraw/zinc/52/81/08/571528108.db2.gz RLYNPLHBZBUQHV-XZOQPEGZSA-N 0 0 503.455 5.332 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000224353483 571528552 /nfs/dbraw/zinc/52/85/52/571528552.db2.gz ZNNRKCXYTONFGQ-WUFINQPMSA-N 0 0 510.663 6.015 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000224353678 571528664 /nfs/dbraw/zinc/52/86/64/571528664.db2.gz WYELEGQKSOJXLQ-WUFINQPMSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224358032 571529345 /nfs/dbraw/zinc/52/93/45/571529345.db2.gz IEPCKBUHNXTAAY-ACHIHNKUSA-N 0 0 551.760 6.626 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000224367591 571531207 /nfs/dbraw/zinc/53/12/07/571531207.db2.gz GBDQZJGKSJEZRQ-VSGBNLITSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224367879 571531356 /nfs/dbraw/zinc/53/13/56/571531356.db2.gz PTTMAIJFTLKMAA-WUFINQPMSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224371726 571532200 /nfs/dbraw/zinc/53/22/00/571532200.db2.gz OJQQJPXJKKFXRS-URLMMPGGSA-N 0 0 510.663 6.518 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224372214 571532280 /nfs/dbraw/zinc/53/22/80/571532280.db2.gz UJTZOAIHHPFCSQ-FQLXRVMXSA-N 0 0 541.677 6.706 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224372264 571532347 /nfs/dbraw/zinc/53/23/47/571532347.db2.gz UJTZOAIHHPFCSQ-WDYNHAJCSA-N 0 0 541.677 6.706 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223723637 571533042 /nfs/dbraw/zinc/53/30/42/571533042.db2.gz FPRNETUDUARXIN-RPWUZVMVSA-N 0 0 527.488 5.177 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000163232548 571533814 /nfs/dbraw/zinc/53/38/14/571533814.db2.gz FOOAHFIIHPNKCZ-IPBSPRHSSA-N 0 0 668.660 8.156 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000224381333 571534445 /nfs/dbraw/zinc/53/44/45/571534445.db2.gz FOUQWSWJSBXLHR-MUUNZHRXSA-N 0 0 508.087 5.890 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000163302799 571535133 /nfs/dbraw/zinc/53/51/33/571535133.db2.gz HHSDSLMLVJGEMK-OGMUYLFESA-N 0 0 639.562 6.331 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000163440253 571535345 /nfs/dbraw/zinc/53/53/45/571535345.db2.gz JVDMNDZVDGVYTG-UHFFFAOYSA-N 0 0 638.752 7.503 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000163460175 571535678 /nfs/dbraw/zinc/53/56/78/571535678.db2.gz LXFKFDLUXCAORN-ZYQHFCLGSA-N 0 0 643.853 7.776 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224398534 571537709 /nfs/dbraw/zinc/53/77/09/571537709.db2.gz XENBZVRSCMSXBE-RPBOFIJWSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000224400316 571537878 /nfs/dbraw/zinc/53/78/78/571537878.db2.gz KZLTXHDQLTXJPM-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224400605 571537935 /nfs/dbraw/zinc/53/79/35/571537935.db2.gz JIGLAFPKUHFYAU-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224404337 571538995 /nfs/dbraw/zinc/53/89/95/571538995.db2.gz JHMPDWLJLVXHDK-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405114 571539142 /nfs/dbraw/zinc/53/91/42/571539142.db2.gz NQLWXMBATQWREQ-IZZNHLLZSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223760481 571539594 /nfs/dbraw/zinc/53/95/94/571539594.db2.gz VIGHUDMSHRLFHL-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763185 571539934 /nfs/dbraw/zinc/53/99/34/571539934.db2.gz ULHBZEPINZQVSJ-XZWHSSHBSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223765589 571540512 /nfs/dbraw/zinc/54/05/12/571540512.db2.gz RCNPFXPDZWVDGS-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223766313 571540595 /nfs/dbraw/zinc/54/05/95/571540595.db2.gz ACKIGKIPAXOHRR-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000163704562 571540963 /nfs/dbraw/zinc/54/09/63/571540963.db2.gz JLMCFLGGAJGMNR-VJGNERBWSA-N 0 0 628.862 6.590 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163718705 571541668 /nfs/dbraw/zinc/54/16/68/571541668.db2.gz ATVSFUKXWAMWOO-WXKAHTKJSA-N 0 0 712.666 6.368 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163719362 571541670 /nfs/dbraw/zinc/54/16/70/571541670.db2.gz UZMGCSSEBYHLOY-SZYVSPPHSA-N 0 0 701.470 6.513 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163719789 571541686 /nfs/dbraw/zinc/54/16/86/571541686.db2.gz XSMXSSMNOOTTPR-USDTVRPUSA-N 0 0 711.476 5.968 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163719901 571541692 /nfs/dbraw/zinc/54/16/92/571541692.db2.gz XSMXSSMNOOTTPR-PKYOQBLNSA-N 0 0 711.476 5.968 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224417374 571541722 /nfs/dbraw/zinc/54/17/22/571541722.db2.gz DYGRVUHCNJKNDS-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224421371 571542653 /nfs/dbraw/zinc/54/26/53/571542653.db2.gz SUFGLSVIOLQKJZ-RPBOFIJWSA-N 0 0 510.560 6.824 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163879747 571543249 /nfs/dbraw/zinc/54/32/49/571543249.db2.gz RHXKBLGINWBUQR-NNAGEYCMSA-N 0 0 709.606 5.057 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223786131 571543910 /nfs/dbraw/zinc/54/39/10/571543910.db2.gz MHVACCLIZZVYRF-SVBPBHIXSA-N 0 0 536.623 7.084 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223786428 571543940 /nfs/dbraw/zinc/54/39/40/571543940.db2.gz GFWMEWWVNVNITA-JSOSNVBQSA-N 0 0 553.732 5.902 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223787747 571544190 /nfs/dbraw/zinc/54/41/90/571544190.db2.gz DHFYIGUXNSEDNJ-SVBPBHIXSA-N 0 0 519.114 6.943 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223791047 571544702 /nfs/dbraw/zinc/54/47/02/571544702.db2.gz XFAMQTRCGDHRJP-SVBPBHIXSA-N 0 0 519.070 6.424 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223796066 571545550 /nfs/dbraw/zinc/54/55/50/571545550.db2.gz BQPDRZJCAXKAHY-KAYWLYCHSA-N 0 0 536.623 7.084 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438267 571545950 /nfs/dbraw/zinc/54/59/50/571545950.db2.gz QLCBVNYYAVUGKS-UIOOFZCWSA-N 0 0 507.034 6.467 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223798552 571546009 /nfs/dbraw/zinc/54/60/09/571546009.db2.gz FQVGYCWHXHLTNZ-SXOMAYOGSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223798364 571546080 /nfs/dbraw/zinc/54/60/80/571546080.db2.gz UHEGJIYHFJSHQU-RRPNLBNLSA-N 0 0 547.522 6.827 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000164422290 571547432 /nfs/dbraw/zinc/54/74/32/571547432.db2.gz QUUVQVJERAYOPM-CKWSZQMZSA-N 0 0 678.586 9.466 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000164472969 571548605 /nfs/dbraw/zinc/54/86/05/571548605.db2.gz AJUFJOWBJOMQND-RVFQGNMQSA-N 0 0 627.866 7.477 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5Cl)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164468587 571548667 /nfs/dbraw/zinc/54/86/67/571548667.db2.gz XGOYJOOIJAGQMH-ADRXYBOHSA-N 0 0 622.530 8.108 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224454802 571549724 /nfs/dbraw/zinc/54/97/24/571549724.db2.gz MXJAETNFVOGCGK-RPBOFIJWSA-N 0 0 527.015 7.338 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164592046 571550115 /nfs/dbraw/zinc/55/01/15/571550115.db2.gz MPTQPDJLNQZJCW-UHFFFAOYSA-N 0 0 654.792 8.179 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224459332 571550828 /nfs/dbraw/zinc/55/08/28/571550828.db2.gz KQMYKTKSYPPJGU-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164791936 571551130 /nfs/dbraw/zinc/55/11/30/571551130.db2.gz BBWYOUAHCVAEHY-UHFFFAOYSA-N 0 0 751.415 8.232 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164802937 571551134 /nfs/dbraw/zinc/55/11/34/571551134.db2.gz AOKJOJOOVGGRGL-UHFFFAOYSA-N 0 0 753.456 8.006 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164812812 571551250 /nfs/dbraw/zinc/55/12/50/571551250.db2.gz VILQRXDSLFQVQN-UHFFFAOYSA-N 0 0 723.032 8.287 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164811989 571551321 /nfs/dbraw/zinc/55/13/21/571551321.db2.gz PTKKWGNVCVYQRW-UHFFFAOYSA-N 0 0 709.005 7.897 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164810693 571551344 /nfs/dbraw/zinc/55/13/44/571551344.db2.gz UTCDWEUXLFHDMN-UHFFFAOYSA-N 0 0 719.557 7.152 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224463357 571551818 /nfs/dbraw/zinc/55/18/18/571551818.db2.gz YEMNHGPQHFLBTQ-JWQCQUIFSA-N 0 0 527.015 7.338 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br ZINC000224465008 571552115 /nfs/dbraw/zinc/55/21/15/571552115.db2.gz ROEMHPCIXYBGIW-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224467301 571552665 /nfs/dbraw/zinc/55/26/65/571552665.db2.gz IUHULLMCTHIMPJ-RPBOFIJWSA-N 0 0 527.908 7.626 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224468712 571553057 /nfs/dbraw/zinc/55/30/57/571553057.db2.gz ZSYGXUBAPIQPCS-IZZNHLLZSA-N 0 0 503.027 6.048 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223824415 571556895 /nfs/dbraw/zinc/55/68/95/571556895.db2.gz JCYPLNOWDNKCGW-UHFFFAOYSA-N 0 0 530.090 5.097 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224485351 571557396 /nfs/dbraw/zinc/55/73/96/571557396.db2.gz YUJYEXICDCVNQH-WDYNHAJCSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224493115 571559399 /nfs/dbraw/zinc/55/93/99/571559399.db2.gz YSKNWYQALBNBLI-WDYNHAJCSA-N 0 0 553.529 7.582 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224493167 571559508 /nfs/dbraw/zinc/55/95/08/571559508.db2.gz YSKNWYQALBNBLI-URLMMPGGSA-N 0 0 553.529 7.582 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000224493705 571559631 /nfs/dbraw/zinc/55/96/31/571559631.db2.gz VHGNKVJSLDWWSQ-JWQCQUIFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224494281 571559718 /nfs/dbraw/zinc/55/97/18/571559718.db2.gz DFQWNOFQRFEFFB-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000223839789 571559725 /nfs/dbraw/zinc/55/97/25/571559725.db2.gz XJFKVVIMXZPWKN-IZLXSDGUSA-N 0 0 526.662 5.852 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000223840181 571559739 /nfs/dbraw/zinc/55/97/39/571559739.db2.gz PURVCDPHEKPBEZ-VSGBNLITSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224494583 571559831 /nfs/dbraw/zinc/55/98/31/571559831.db2.gz HWDSARYMPYVDFH-LOSJGSFVSA-N 0 0 571.466 7.448 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1F ZINC000224495173 571559932 /nfs/dbraw/zinc/55/99/32/571559932.db2.gz BEXUPPJCFACCFF-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(F)c1 ZINC000224495380 571559981 /nfs/dbraw/zinc/55/99/81/571559981.db2.gz VIXLCGSWTXDFKU-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1F ZINC000224495123 571560010 /nfs/dbraw/zinc/56/00/10/571560010.db2.gz BEXUPPJCFACCFF-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224496681 571560293 /nfs/dbraw/zinc/56/02/93/571560293.db2.gz KZCJDFZCZUEVPH-JWQCQUIFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223845292 571560639 /nfs/dbraw/zinc/56/06/39/571560639.db2.gz RILOOQFOXJAEPU-DQEYMECFSA-N 0 0 508.569 6.391 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498576 571560816 /nfs/dbraw/zinc/56/08/16/571560816.db2.gz WMNKYUZASLRJRG-URLMMPGGSA-N 0 0 574.592 7.275 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cccc1C ZINC000224499611 571561064 /nfs/dbraw/zinc/56/10/64/571561064.db2.gz XBLROHXKWNSXEH-VPUSJEBWSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224500508 571561367 /nfs/dbraw/zinc/56/13/67/571561367.db2.gz ONLBIOXZAZPZMX-UIOOFZCWSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224500953 571561484 /nfs/dbraw/zinc/56/14/84/571561484.db2.gz FDYGQGVCVCOJGZ-UIOOFZCWSA-N 0 0 551.941 7.391 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224501345 571561581 /nfs/dbraw/zinc/56/15/81/571561581.db2.gz AFESRQKWUGWPMY-IZZNHLLZSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224502628 571561904 /nfs/dbraw/zinc/56/19/04/571561904.db2.gz LLADRDRZSMVPIX-DQEYMECFSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223861302 571563555 /nfs/dbraw/zinc/56/35/55/571563555.db2.gz KBZLFXDPZVTZQE-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864382 571564059 /nfs/dbraw/zinc/56/40/59/571564059.db2.gz HZLLCHYHEGKSKX-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864741 571564188 /nfs/dbraw/zinc/56/41/88/571564188.db2.gz VPIMVCODNVOXJS-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224534791 571568618 /nfs/dbraw/zinc/56/86/18/571568618.db2.gz UEYFTYQQRIJQRY-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000224535874 571569000 /nfs/dbraw/zinc/56/90/00/571569000.db2.gz ZHELDVLSLLYQLA-LJAQVGFWSA-N 0 0 565.736 5.112 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224536526 571569110 /nfs/dbraw/zinc/56/91/10/571569110.db2.gz YBHDAYXYKJCPAS-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224537107 571569294 /nfs/dbraw/zinc/56/92/94/571569294.db2.gz MHEQHHONGWYBHH-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224537699 571569382 /nfs/dbraw/zinc/56/93/82/571569382.db2.gz LHCCQORBILFZFA-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000223895995 571569999 /nfs/dbraw/zinc/56/99/99/571569999.db2.gz ZDFQSPJNFNOIJG-RRPNLBNLSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223899443 571570773 /nfs/dbraw/zinc/57/07/73/571570773.db2.gz OQCKTBBVOKQEME-SXOMAYOGSA-N 0 0 536.532 7.039 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223899720 571570820 /nfs/dbraw/zinc/57/08/20/571570820.db2.gz TZVHXNBEDJMABN-RRPNLBNLSA-N 0 0 536.532 7.039 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223899065 571570857 /nfs/dbraw/zinc/57/08/57/571570857.db2.gz POBYLUQAYVIJRA-VMPREFPWSA-N 0 0 510.711 5.798 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223899543 571570869 /nfs/dbraw/zinc/57/08/69/571570869.db2.gz OQCKTBBVOKQEME-SVBPBHIXSA-N 0 0 536.532 7.039 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000206910787 571573039 /nfs/dbraw/zinc/57/30/39/571573039.db2.gz JRXJFXYNLLUHDT-OEAKJJBVSA-N 0 0 559.496 6.517 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S)c1ccccc1 ZINC000206887020 571573077 /nfs/dbraw/zinc/57/30/77/571573077.db2.gz BMLITKRSLIMLAU-CIAFOILYSA-N 0 0 515.443 6.119 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208256366 571573675 /nfs/dbraw/zinc/57/36/75/571573675.db2.gz ARBRHYXHNCXIQX-YYLUKMIBSA-N 0 0 562.917 6.500 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325920 571573820 /nfs/dbraw/zinc/57/38/20/571573820.db2.gz KVKWCAMRKWVHJG-PUDRWSQFSA-N 0 0 505.684 6.399 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000224557146 571573840 /nfs/dbraw/zinc/57/38/40/571573840.db2.gz RUDVJIXPFYWNIY-UIOOFZCWSA-N 0 0 505.087 6.552 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000208380717 571574104 /nfs/dbraw/zinc/57/41/04/571574104.db2.gz BRAHDCWTFPYURP-LLXISZFLSA-N 0 0 607.707 5.491 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000208381983 571574122 /nfs/dbraw/zinc/57/41/22/571574122.db2.gz BWVZROKCNQMUHX-PLNPHXOGSA-N 0 0 607.707 5.491 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C2=O)cc1 ZINC000208531970 571574665 /nfs/dbraw/zinc/57/46/65/571574665.db2.gz LRIZHPZORBGDSR-MYYYXRDXSA-N 0 0 519.667 6.091 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208655612 571574784 /nfs/dbraw/zinc/57/47/84/571574784.db2.gz YXQFACPNOOBHGK-JMIUGGIZSA-N 0 0 624.307 7.244 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208659195 571574803 /nfs/dbraw/zinc/57/48/03/571574803.db2.gz FLDGFGQSLQOVGX-NHDPSOOVSA-N 0 0 564.885 7.235 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000208655197 571574823 /nfs/dbraw/zinc/57/48/23/571574823.db2.gz OSCNMVJOMNIEDR-JJFYIABZSA-N 0 0 564.538 7.350 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208672057 571574961 /nfs/dbraw/zinc/57/49/61/571574961.db2.gz FEKWKKQRJLUZGF-FMCGGJTJSA-N 0 0 506.008 6.657 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000208670673 571574963 /nfs/dbraw/zinc/57/49/63/571574963.db2.gz XNMJYUHPPZOQQA-FMCGGJTJSA-N 0 0 529.008 7.768 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1 ZINC000223917093 571575012 /nfs/dbraw/zinc/57/50/12/571575012.db2.gz XXTURINWFJQULA-WUFINQPMSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 ZINC000208714300 571575061 /nfs/dbraw/zinc/57/50/61/571575061.db2.gz PIJMZULLVWFRPV-QRVIBDJDSA-N 0 0 516.015 6.481 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208713374 571575080 /nfs/dbraw/zinc/57/50/80/571575080.db2.gz JNTWUTFVGHWMQV-NKVSQWTQSA-N 0 0 599.330 7.888 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208718783 571575086 /nfs/dbraw/zinc/57/50/86/571575086.db2.gz LLXZYOQVFYFBSW-QFEZKATASA-N 0 0 607.507 7.504 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000208783329 571575098 /nfs/dbraw/zinc/57/50/98/571575098.db2.gz MYCZJJJGEHIVAS-CIAFOILYSA-N 0 0 511.803 6.496 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000224567718 571576301 /nfs/dbraw/zinc/57/63/01/571576301.db2.gz HVMNYVMWSYZVMW-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000224572134 571577360 /nfs/dbraw/zinc/57/73/60/571577360.db2.gz CQFGOEVGAOOTSA-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000224571856 571577448 /nfs/dbraw/zinc/57/74/48/571577448.db2.gz NJSIFIFPJRYGIJ-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223930485 571577711 /nfs/dbraw/zinc/57/77/11/571577711.db2.gz HNFXMDWLYHJUHT-JHOUSYSJSA-N 0 0 559.739 6.656 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214134558 571577757 /nfs/dbraw/zinc/57/77/57/571577757.db2.gz HKYNTYSSQWQBLW-VULFUBBASA-N 0 0 595.077 6.348 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000224573120 571577792 /nfs/dbraw/zinc/57/77/92/571577792.db2.gz YXWCGMBRECFGJB-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 ZINC000223931068 571577828 /nfs/dbraw/zinc/57/78/28/571577828.db2.gz SUZQEDAJRGXTGQ-FQLXRVMXSA-N 0 0 509.679 5.503 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223932525 571578104 /nfs/dbraw/zinc/57/81/04/571578104.db2.gz BJAMXOFRBACHDF-FIRIVFDPSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223933774 571578211 /nfs/dbraw/zinc/57/82/11/571578211.db2.gz FJBZOXUMXXFMSW-WDYNHAJCSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br ZINC000223934399 571578384 /nfs/dbraw/zinc/57/83/84/571578384.db2.gz RIUUOJLLZXBPPN-VMPREFPWSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000223935285 571578533 /nfs/dbraw/zinc/57/85/33/571578533.db2.gz YJQPPGUHWYSPNR-WDYNHAJCSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223937161 571579034 /nfs/dbraw/zinc/57/90/34/571579034.db2.gz DBKOHXVEORXVPR-FQLXRVMXSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000223941629 571580066 /nfs/dbraw/zinc/58/00/66/571580066.db2.gz IXOURXMZZORQFX-FQLXRVMXSA-N 0 0 524.694 5.206 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000223941732 571580068 /nfs/dbraw/zinc/58/00/68/571580068.db2.gz IXOURXMZZORQFX-URLMMPGGSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214787846 571580954 /nfs/dbraw/zinc/58/09/54/571580954.db2.gz WEIFVPXOBVRJLD-RPPGKUMJSA-N 0 0 610.390 8.962 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214918822 571581931 /nfs/dbraw/zinc/58/19/31/571581931.db2.gz SHLKRTCHKLIXJX-LGJNPRDNSA-N 0 0 620.396 8.418 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223956132 571583178 /nfs/dbraw/zinc/58/31/78/571583178.db2.gz OEAGFIRQMKGKLD-IHLOFXLRSA-N 0 0 567.715 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223961296 571584416 /nfs/dbraw/zinc/58/44/16/571584416.db2.gz STWAFYAHTFOEKU-KAYWLYCHSA-N 0 0 549.622 6.643 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224603846 571584595 /nfs/dbraw/zinc/58/45/95/571584595.db2.gz PEZPUAFHUZCFDF-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223966821 571585215 /nfs/dbraw/zinc/58/52/15/571585215.db2.gz RFVRBDDSXOJZCO-SXOMAYOGSA-N 0 0 532.069 5.984 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223972863 571586438 /nfs/dbraw/zinc/58/64/38/571586438.db2.gz OZYWTQMUWVGGBU-SXOMAYOGSA-N 0 0 549.622 6.643 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223975167 571586887 /nfs/dbraw/zinc/58/68/87/571586887.db2.gz PCGUNEUGSIVFMC-SVBPBHIXSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000223978386 571587683 /nfs/dbraw/zinc/58/76/83/571587683.db2.gz GQYVTKZSJOZLQK-URLMMPGGSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223979540 571587875 /nfs/dbraw/zinc/58/78/75/571587875.db2.gz XKHFLEOJAZYLIB-DGPALRBDSA-N 0 0 523.706 6.550 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223979643 571587901 /nfs/dbraw/zinc/58/79/01/571587901.db2.gz XKHFLEOJAZYLIB-PQHLKRTFSA-N 0 0 523.706 6.550 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223979957 571587917 /nfs/dbraw/zinc/58/79/17/571587917.db2.gz IUKQQQJPTQWMPG-VSGBNLITSA-N 0 0 556.648 5.541 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981008 571588073 /nfs/dbraw/zinc/58/80/73/571588073.db2.gz WCWAIWPWNBULHC-WUFINQPMSA-N 0 0 546.096 6.287 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981376 571588315 /nfs/dbraw/zinc/58/83/15/571588315.db2.gz IAJPFOGOPNPCCI-PQHLKRTFSA-N 0 0 523.706 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224627143 571589949 /nfs/dbraw/zinc/58/99/49/571589949.db2.gz VUKFTHFTIATGOH-OIDHKYIRSA-N 0 0 601.776 7.295 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000224627983 571590198 /nfs/dbraw/zinc/59/01/98/571590198.db2.gz GBISXMSNDUHQMU-FIRIVFDPSA-N 0 0 532.713 7.683 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224631431 571590789 /nfs/dbraw/zinc/59/07/89/571590789.db2.gz DQWFIXKJMYRWNE-FIRIVFDPSA-N 0 0 567.114 7.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224635853 571591838 /nfs/dbraw/zinc/59/18/38/571591838.db2.gz BTGHJYPXIIAETK-AJQTZOPKSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224636088 571591942 /nfs/dbraw/zinc/59/19/42/571591942.db2.gz BSGQGIJDCDSKOZ-CONSDPRKSA-N 0 0 584.667 8.477 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223996676 571591961 /nfs/dbraw/zinc/59/19/61/571591961.db2.gz ZNEBYIIHCGNJKA-IZLXSDGUSA-N 0 0 539.661 5.411 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224636382 571591974 /nfs/dbraw/zinc/59/19/74/571591974.db2.gz KODZNWLNPLSXLD-SAIUNTKASA-N 0 0 544.724 8.021 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224637052 571592095 /nfs/dbraw/zinc/59/20/95/571592095.db2.gz KVYBBZHLIRQCQN-IOWSJCHKSA-N 0 0 534.660 7.598 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224638656 571592505 /nfs/dbraw/zinc/59/25/05/571592505.db2.gz PEFQRCDXQFQEPW-ZWXJPIIXSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224640607 571593035 /nfs/dbraw/zinc/59/30/35/571593035.db2.gz MHJDUXZJPWIZRY-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224640984 571593118 /nfs/dbraw/zinc/59/31/18/571593118.db2.gz KQYCFTBZQYSOGA-CQTOTRCISA-N 0 0 544.724 8.075 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643079 571593406 /nfs/dbraw/zinc/59/34/06/571593406.db2.gz IDSJNOCQGCSHQY-ZWXJPIIXSA-N 0 0 591.693 7.375 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224642282 571593410 /nfs/dbraw/zinc/59/34/10/571593410.db2.gz DPBWDUHYZDURSE-AJQTZOPKSA-N 0 0 591.693 7.375 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643344 571593418 /nfs/dbraw/zinc/59/34/18/571593418.db2.gz ZJLFXWXDYAXDSL-UZNNEEJFSA-N 0 0 558.751 8.329 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643029 571593498 /nfs/dbraw/zinc/59/34/98/571593498.db2.gz IDSJNOCQGCSHQY-ROJLCIKYSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc21 ZINC000224010646 571594703 /nfs/dbraw/zinc/59/47/03/571594703.db2.gz BXCOIPQHOCBALT-IHLOFXLRSA-N 0 0 518.642 6.548 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br ZINC000224014538 571595495 /nfs/dbraw/zinc/59/54/95/571595495.db2.gz IJRSYVYCSCWVNN-IZZNHLLZSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 ZINC000224014903 571595524 /nfs/dbraw/zinc/59/55/24/571595524.db2.gz PNLQDNMTQQMFOH-CLJLJLNGSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br ZINC000224014434 571595528 /nfs/dbraw/zinc/59/55/28/571595528.db2.gz IJRSYVYCSCWVNN-CLJLJLNGSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224017494 571595918 /nfs/dbraw/zinc/59/59/18/571595918.db2.gz RCVGXXDKDNKCJG-CLJLJLNGSA-N 0 0 537.472 6.702 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017037 571595953 /nfs/dbraw/zinc/59/59/53/571595953.db2.gz BNTWXLGFTDYDDE-LOYHVIPDSA-N 0 0 539.705 6.241 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224017593 571596089 /nfs/dbraw/zinc/59/60/89/571596089.db2.gz RCVGXXDKDNKCJG-IZZNHLLZSA-N 0 0 537.472 6.702 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020758 571596498 /nfs/dbraw/zinc/59/64/98/571596498.db2.gz XUGAEVNGNDDKIP-PXJZQJOASA-N 0 0 510.663 6.266 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224669340 571599343 /nfs/dbraw/zinc/59/93/43/571599343.db2.gz JVZHOGYBWKKLSS-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1 ZINC000224668743 571599345 /nfs/dbraw/zinc/59/93/45/571599345.db2.gz DIESWRJVEDYQBF-ACHIHNKUSA-N 0 0 530.697 7.767 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1 ZINC000224035439 571599372 /nfs/dbraw/zinc/59/93/72/571599372.db2.gz RFBZKVDCNBEZQT-KAYWLYCHSA-N 0 0 526.618 5.182 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224669738 571599428 /nfs/dbraw/zinc/59/94/28/571599428.db2.gz UGWRAPOBIGTZOW-HEVIKAOCSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Cl ZINC000224670669 571599662 /nfs/dbraw/zinc/59/96/62/571599662.db2.gz VREOGOTZVKRTRB-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224040553 571600402 /nfs/dbraw/zinc/60/04/02/571600402.db2.gz WBTSNKWAAOCBOA-NSOVKSMOSA-N 0 0 601.094 7.364 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224673692 571600419 /nfs/dbraw/zinc/60/04/19/571600419.db2.gz PUJIRDNAGQNUKX-ZWXJPIIXSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cccc1C ZINC000224674582 571600685 /nfs/dbraw/zinc/60/06/85/571600685.db2.gz ONTFPHIDRRHERG-UZNNEEJFSA-N 0 0 558.751 8.384 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224675714 571600903 /nfs/dbraw/zinc/60/09/03/571600903.db2.gz SOVHWPZTLCYXSZ-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676315 571601020 /nfs/dbraw/zinc/60/10/20/571601020.db2.gz KTECYQRGVRKPPG-CZNDPXEESA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224676045 571601067 /nfs/dbraw/zinc/60/10/67/571601067.db2.gz WUWQEMNGOYXKOC-LQJZCPKCSA-N 0 0 579.169 8.729 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676853 571601187 /nfs/dbraw/zinc/60/11/87/571601187.db2.gz VASQOFXHWLRMFU-LRHLLKFHSA-N 0 0 572.778 8.638 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000224050707 571602174 /nfs/dbraw/zinc/60/21/74/571602174.db2.gz NWZJDAWSYKOVQL-VSGBNLITSA-N 0 0 533.097 6.345 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224051376 571602360 /nfs/dbraw/zinc/60/23/60/571602360.db2.gz IWQONBRVMDSWFX-URLMMPGGSA-N 0 0 547.124 6.653 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224052046 571602455 /nfs/dbraw/zinc/60/24/55/571602455.db2.gz PQODUZFRUGUSLS-IHLOFXLRSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224052725 571602469 /nfs/dbraw/zinc/60/24/69/571602469.db2.gz ZHIQEOQQHNRWHA-NSOVKSMOSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224053327 571602638 /nfs/dbraw/zinc/60/26/38/571602638.db2.gz ATVHLDOHSGUQKX-VSGBNLITSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224053997 571602799 /nfs/dbraw/zinc/60/27/99/571602799.db2.gz RXHLBBWOTQLOGK-WUFINQPMSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224054191 571602856 /nfs/dbraw/zinc/60/28/56/571602856.db2.gz VDRLUNRMOZPFMD-IZLXSDGUSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224053636 571602860 /nfs/dbraw/zinc/60/28/60/571602860.db2.gz SWARVDXRQVZTNI-NSOVKSMOSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224058008 571603902 /nfs/dbraw/zinc/60/39/02/571603902.db2.gz ZVLYMCNNEDDNAX-URLMMPGGSA-N 0 0 577.106 6.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224058379 571604001 /nfs/dbraw/zinc/60/40/01/571604001.db2.gz NWMGHIZCRAMJIU-VMPREFPWSA-N 0 0 581.569 7.307 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000224058949 571604093 /nfs/dbraw/zinc/60/40/93/571604093.db2.gz GTSYJYHMMRSDAZ-URLMMPGGSA-N 0 0 608.120 6.262 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224060106 571604415 /nfs/dbraw/zinc/60/44/15/571604415.db2.gz OMEHJKFLFLGULA-VEEOACQBSA-N 0 0 575.178 7.216 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224060631 571604556 /nfs/dbraw/zinc/60/45/56/571604556.db2.gz SAXIEEQUVFBLLV-RRPNLBNLSA-N 0 0 548.112 6.048 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224689773 571604945 /nfs/dbraw/zinc/60/49/45/571604945.db2.gz MAFSUZWBUVFICV-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000224075179 571606763 /nfs/dbraw/zinc/60/67/63/571606763.db2.gz MVAWDUXXOKGLDM-FQLXRVMXSA-N 0 0 591.133 6.131 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000224075252 571606816 /nfs/dbraw/zinc/60/68/16/571606816.db2.gz QQAZBMQLQMBEII-VMPREFPWSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224703255 571606876 /nfs/dbraw/zinc/60/68/76/571606876.db2.gz WZNRLHHZLKLTTA-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224704868 571606995 /nfs/dbraw/zinc/60/69/95/571606995.db2.gz VEIVVEDRQOIHTA-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224706669 571607068 /nfs/dbraw/zinc/60/70/68/571607068.db2.gz YUFPKQFOJVKTTR-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224706359 571607115 /nfs/dbraw/zinc/60/71/15/571607115.db2.gz MPUJVUNOPBVOAD-ACHIHNKUSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224706744 571607116 /nfs/dbraw/zinc/60/71/16/571607116.db2.gz YUFPKQFOJVKTTR-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccn1 ZINC000224082708 571607491 /nfs/dbraw/zinc/60/74/91/571607491.db2.gz KYYXZZDYXWGLGW-VSGBNLITSA-N 0 0 524.694 5.964 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224709932 571607839 /nfs/dbraw/zinc/60/78/39/571607839.db2.gz VIQBIPPVAANFMI-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710964 571608155 /nfs/dbraw/zinc/60/81/55/571608155.db2.gz IVFVYTXVZUUVQQ-QWOOXDRHSA-N 0 0 572.778 8.638 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ncccc1C ZINC000224711424 571608238 /nfs/dbraw/zinc/60/82/38/571608238.db2.gz UXIVVEJIHQJQIP-CONSDPRKSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224711532 571608247 /nfs/dbraw/zinc/60/82/47/571608247.db2.gz FSTJZOJDEDFCGF-ZWXJPIIXSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C ZINC000224089703 571608387 /nfs/dbraw/zinc/60/83/87/571608387.db2.gz LYKIIQDHUBGRSB-XZWHSSHBSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C ZINC000224089588 571608394 /nfs/dbraw/zinc/60/83/94/571608394.db2.gz LYKIIQDHUBGRSB-LOYHVIPDSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224092388 571608864 /nfs/dbraw/zinc/60/88/64/571608864.db2.gz URDNWOIHGUTFDM-WDYNHAJCSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224097085 571609451 /nfs/dbraw/zinc/60/94/51/571609451.db2.gz JHLWLQWAMTUXNE-XZWHSSHBSA-N 0 0 572.178 7.531 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224097212 571609535 /nfs/dbraw/zinc/60/95/35/571609535.db2.gz BPRVGPAHBLUPOG-LOYHVIPDSA-N 0 0 598.729 6.486 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224097442 571609568 /nfs/dbraw/zinc/60/95/68/571609568.db2.gz LQYJWJPCRPQVAK-LOYHVIPDSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224098897 571609804 /nfs/dbraw/zinc/60/98/04/571609804.db2.gz HHDKLPXIMMOAHM-WDYNHAJCSA-N 0 0 538.721 6.273 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224099492 571609912 /nfs/dbraw/zinc/60/99/12/571609912.db2.gz UKDUOZPNRGRWFX-VMPREFPWSA-N 0 0 538.721 6.273 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)cc2)cc1 ZINC000224728443 571611788 /nfs/dbraw/zinc/61/17/88/571611788.db2.gz ASFFLQCHLXEENA-ZPGRZCPFSA-N 0 0 631.802 7.304 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000224729665 571612031 /nfs/dbraw/zinc/61/20/31/571612031.db2.gz WCKCYQGBWUGISZ-ZWXJPIIXSA-N 0 0 597.184 8.345 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 ZINC000224730953 571612049 /nfs/dbraw/zinc/61/20/49/571612049.db2.gz JOBVEADDGNZAJA-CONSDPRKSA-N 0 0 547.684 6.862 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C)c3C)cc2)cc1 ZINC000224737211 571612474 /nfs/dbraw/zinc/61/24/74/571612474.db2.gz PJNHJWVAUGGIGC-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224737930 571612586 /nfs/dbraw/zinc/61/25/86/571612586.db2.gz HNUNJCCESSDZBV-NOCHOARKSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4F)c3C)cc2)cc1 ZINC000224738376 571612610 /nfs/dbraw/zinc/61/26/10/571612610.db2.gz HHOLUBZOMODJLV-AJQTZOPKSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)cc1 ZINC000224742714 571612904 /nfs/dbraw/zinc/61/29/04/571612904.db2.gz SLESKMMHZQJAHZ-ZWXJPIIXSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)cc1 ZINC000224742562 571612920 /nfs/dbraw/zinc/61/29/20/571612920.db2.gz JHWGZVYUBRVTRZ-AJQTZOPKSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)cc1 ZINC000224742598 571612944 /nfs/dbraw/zinc/61/29/44/571612944.db2.gz JHWGZVYUBRVTRZ-ROJLCIKYSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2)cc1 ZINC000224743839 571613025 /nfs/dbraw/zinc/61/30/25/571613025.db2.gz IZFMVXYTJZWRQJ-CZNDPXEESA-N 0 0 590.705 7.196 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)cc2)cc1 ZINC000224744538 571613125 /nfs/dbraw/zinc/61/31/25/571613125.db2.gz UTBOHIJQKULTCE-SAIUNTKASA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)cc2)cc1 ZINC000224744491 571613143 /nfs/dbraw/zinc/61/31/43/571613143.db2.gz UTBOHIJQKULTCE-LQJZCPKCSA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)cc2)cc1 ZINC000224745083 571613200 /nfs/dbraw/zinc/61/32/00/571613200.db2.gz HOCDFNAGXFCJKN-LQJZCPKCSA-N 0 0 611.167 8.129 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C)cn4)c3C)cc2)cc1 ZINC000224746163 571613269 /nfs/dbraw/zinc/61/32/69/571613269.db2.gz DMCSKGKHBYHXSR-ZWXJPIIXSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(C)n3-c3ccccc3)cc2)cc1 ZINC000224757423 571614361 /nfs/dbraw/zinc/61/43/61/571614361.db2.gz RHZDGJIRZBBSOR-CONSDPRKSA-N 0 0 532.669 7.159 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(C)n3-c3ccccc3)cc2)cc1 ZINC000224757558 571614398 /nfs/dbraw/zinc/61/43/98/571614398.db2.gz RHZDGJIRZBBSOR-FIRIVFDPSA-N 0 0 532.669 7.159 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224758426 571614487 /nfs/dbraw/zinc/61/44/87/571614487.db2.gz OZLXOUQVHRFRHQ-CZNDPXEESA-N 0 0 604.732 7.254 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224758526 571614489 /nfs/dbraw/zinc/61/44/89/571614489.db2.gz OZLXOUQVHRFRHQ-JHOUSYSJSA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224762435 571614790 /nfs/dbraw/zinc/61/47/90/571614790.db2.gz WLXISWRLXYJRLJ-IOWSJCHKSA-N 0 0 645.732 8.744 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000224763542 571614918 /nfs/dbraw/zinc/61/49/18/571614918.db2.gz DYUXFYCZGHTFKM-FIRIVFDPSA-N 0 0 593.778 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 ZINC000224764917 571615022 /nfs/dbraw/zinc/61/50/22/571615022.db2.gz IAANDZKLONLXQB-IHLOFXLRSA-N 0 0 578.723 7.121 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224770449 571615504 /nfs/dbraw/zinc/61/55/04/571615504.db2.gz DWJIHCXGXMSKGV-VSJLXWSYSA-N 0 0 627.795 8.879 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1 ZINC000224771169 571615575 /nfs/dbraw/zinc/61/55/75/571615575.db2.gz PYDCHIPKQSTTFA-IOWSJCHKSA-N 0 0 577.735 7.726 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1 ZINC000224771214 571615585 /nfs/dbraw/zinc/61/55/85/571615585.db2.gz PYDCHIPKQSTTFA-CONSDPRKSA-N 0 0 577.735 7.726 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C ZINC000224771370 571615611 /nfs/dbraw/zinc/61/56/11/571615611.db2.gz OMBTYMIBNATOGP-AJQTZOPKSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224773207 571615751 /nfs/dbraw/zinc/61/57/51/571615751.db2.gz TUCRRLVERIPVCL-IOWSJCHKSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224773939 571615817 /nfs/dbraw/zinc/61/58/17/571615817.db2.gz WWKQSIOFFZISDP-FIRIVFDPSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224776214 571616014 /nfs/dbraw/zinc/61/60/14/571616014.db2.gz KHTPVGPOBITOJL-FIRIVFDPSA-N 0 0 646.625 9.032 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224778390 571616219 /nfs/dbraw/zinc/61/62/19/571616219.db2.gz BAMIWTFKRIFXSC-ROJLCIKYSA-N 0 0 626.207 8.687 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778988 571616240 /nfs/dbraw/zinc/61/62/40/571616240.db2.gz LUDBYWZPPIITPD-ROJLCIKYSA-N 0 0 652.758 7.642 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224791966 571617544 /nfs/dbraw/zinc/61/75/44/571617544.db2.gz UYWARJAJCGDSFX-ROJLCIKYSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c(OC)c1 ZINC000224797111 571618100 /nfs/dbraw/zinc/61/81/00/571618100.db2.gz LWUZAYIKCUVRCC-SVBPBHIXSA-N 0 0 500.668 5.908 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c(OC)c1 ZINC000224803713 571618646 /nfs/dbraw/zinc/61/86/46/571618646.db2.gz CFFCMNZIXMCUHH-JSOSNVBQSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c(OC)c1 ZINC000224806042 571618858 /nfs/dbraw/zinc/61/88/58/571618858.db2.gz HUDGZOORLMMLJH-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 ZINC000224807130 571618938 /nfs/dbraw/zinc/61/89/38/571618938.db2.gz RGHPVTWMIGBKMM-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 ZINC000224809359 571619158 /nfs/dbraw/zinc/61/91/58/571619158.db2.gz XVKLTDUMQVBWJC-SXOMAYOGSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 ZINC000224809564 571619209 /nfs/dbraw/zinc/61/92/09/571619209.db2.gz OYGCRCYQNVLMQE-SXOMAYOGSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1 ZINC000224810481 571619271 /nfs/dbraw/zinc/61/92/71/571619271.db2.gz ZPKFTVFJZAZQMM-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c(OC)c1 ZINC000224811385 571619319 /nfs/dbraw/zinc/61/93/19/571619319.db2.gz SYAPPQGTGCJUTA-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224824153 571620639 /nfs/dbraw/zinc/62/06/39/571620639.db2.gz KDCFRLAMDQYFSZ-SXOMAYOGSA-N 0 0 500.624 5.384 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224828813 571621079 /nfs/dbraw/zinc/62/10/79/571621079.db2.gz FLZYQNKVRLVCDM-SVBPBHIXSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224829046 571621116 /nfs/dbraw/zinc/62/11/16/571621116.db2.gz VRTQRAHPYBKERE-JSOSNVBQSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1 ZINC000224838721 571622159 /nfs/dbraw/zinc/62/21/59/571622159.db2.gz QVSKLEBFWQKDOX-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224839848 571622264 /nfs/dbraw/zinc/62/22/64/571622264.db2.gz FJQJTMOVXBUVHY-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224843871 571622542 /nfs/dbraw/zinc/62/25/42/571622542.db2.gz WZWFARMOVHYAHD-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224843941 571622586 /nfs/dbraw/zinc/62/25/86/571622586.db2.gz LXKAKISSIDUQCI-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224845064 571622679 /nfs/dbraw/zinc/62/26/79/571622679.db2.gz JRSXADZEIVOFJX-JDXGNMNLSA-N 0 0 526.706 6.554 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860594 571624082 /nfs/dbraw/zinc/62/40/82/571624082.db2.gz SACHDKGNUFBSCG-URLMMPGGSA-N 0 0 560.123 5.862 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1 ZINC000224869809 571625034 /nfs/dbraw/zinc/62/50/34/571625034.db2.gz DICFWYIWFLWFDN-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Cl ZINC000224869587 571625081 /nfs/dbraw/zinc/62/50/81/571625081.db2.gz CYVMKNKDXVFBRO-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Br ZINC000224870145 571625103 /nfs/dbraw/zinc/62/51/03/571625103.db2.gz MGOROHANWDFINJ-RPBOFIJWSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224870366 571625141 /nfs/dbraw/zinc/62/51/41/571625141.db2.gz NPRZTTBCUWLFKX-LOSJGSFVSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224870509 571625194 /nfs/dbraw/zinc/62/51/94/571625194.db2.gz PPFQTRJCCBPBLG-RPBOFIJWSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224872272 571625380 /nfs/dbraw/zinc/62/53/80/571625380.db2.gz LIAXYFPOJVVTEH-JWQCQUIFSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C)c1C ZINC000224872658 571625431 /nfs/dbraw/zinc/62/54/31/571625431.db2.gz CXLAJROPSHBYPJ-SXOMAYOGSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cccc1C ZINC000224873058 571625482 /nfs/dbraw/zinc/62/54/82/571625482.db2.gz YOMUXASPZALCFV-AHKZPQOWSA-N 0 0 503.071 6.642 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874608 571625648 /nfs/dbraw/zinc/62/56/48/571625648.db2.gz LQUITENKAIZQHZ-FTJBHMTQSA-N 0 0 539.488 6.687 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224886279 571626716 /nfs/dbraw/zinc/62/67/16/571626716.db2.gz LHULXARDKMHEDD-CLJLJLNGSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224890264 571627181 /nfs/dbraw/zinc/62/71/81/571627181.db2.gz GNIPFENVLQSXHY-KYJUHHDHSA-N 0 0 541.696 5.950 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1F ZINC000224891176 571627271 /nfs/dbraw/zinc/62/72/71/571627271.db2.gz MMFZBFIQACAKPT-FTJBHMTQSA-N 0 0 507.078 6.991 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901649 571628299 /nfs/dbraw/zinc/62/82/99/571628299.db2.gz NHNXOWFAQCYHEJ-XZWHSSHBSA-N 0 0 527.713 6.960 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224901997 571628327 /nfs/dbraw/zinc/62/83/27/571628327.db2.gz NORHVXLXPMHMTN-IZZNHLLZSA-N 0 0 525.480 7.421 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224902847 571628380 /nfs/dbraw/zinc/62/83/80/571628380.db2.gz JGZUQYQGEXAPIP-RRPNLBNLSA-N 0 0 500.599 5.842 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224903167 571628404 /nfs/dbraw/zinc/62/84/04/571628404.db2.gz DUKRGHUKSVORHR-SXOMAYOGSA-N 0 0 505.062 7.076 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224903448 571628434 /nfs/dbraw/zinc/62/84/34/571628434.db2.gz XOYAOJPGFKSYLY-KAYWLYCHSA-N 0 0 531.613 6.031 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224919783 571629948 /nfs/dbraw/zinc/62/99/48/571629948.db2.gz SRSDQXJLUDQGQF-LOYHVIPDSA-N 0 0 602.602 6.574 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224923815 571630410 /nfs/dbraw/zinc/63/04/10/571630410.db2.gz DLRUODWNIUDGBX-CLJLJLNGSA-N 0 0 567.940 7.096 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224928276 571630890 /nfs/dbraw/zinc/63/08/90/571630890.db2.gz KMTFKRVSQNJNRS-VSGBNLITSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224929299 571631023 /nfs/dbraw/zinc/63/10/23/571631023.db2.gz YGGAUZHKSRBJSM-CLJLJLNGSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224928972 571631024 /nfs/dbraw/zinc/63/10/24/571631024.db2.gz QJBJVJFFRZAXGT-CLJLJLNGSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224929587 571631054 /nfs/dbraw/zinc/63/10/54/571631054.db2.gz UMNYZIPKTDADFB-UIOOFZCWSA-N 0 0 596.392 7.500 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931410 571631226 /nfs/dbraw/zinc/63/12/26/571631226.db2.gz KQEOVKLVFKNOSQ-LOYHVIPDSA-N 0 0 588.619 7.583 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224931862 571631243 /nfs/dbraw/zinc/63/12/43/571631243.db2.gz PKTTVXFCMASPPY-UIOOFZCWSA-N 0 0 586.386 8.044 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224945585 571632612 /nfs/dbraw/zinc/63/26/12/571632612.db2.gz SQAANXABNHURJE-SVBPBHIXSA-N 0 0 575.532 6.524 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224945373 571632631 /nfs/dbraw/zinc/63/26/31/571632631.db2.gz DBLFMQLCTGMZGK-RRPNLBNLSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224953342 571633340 /nfs/dbraw/zinc/63/33/40/571633340.db2.gz LZUZGKXYIPVSGS-UIOOFZCWSA-N 0 0 539.488 6.687 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224953472 571633375 /nfs/dbraw/zinc/63/33/75/571633375.db2.gz LZUZGKXYIPVSGS-CLJLJLNGSA-N 0 0 539.488 6.687 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224956890 571633641 /nfs/dbraw/zinc/63/36/41/571633641.db2.gz WWLJGJNXGPOLFN-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224957569 571633755 /nfs/dbraw/zinc/63/37/55/571633755.db2.gz VQDIVTGPFQXQOH-VSGBNLITSA-N 0 0 517.098 6.891 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224957962 571633757 /nfs/dbraw/zinc/63/37/57/571633757.db2.gz MOHJIAIJMIONCZ-FTJBHMTQSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224957514 571633761 /nfs/dbraw/zinc/63/37/61/571633761.db2.gz UXUZOORAYMBLLI-CLJLJLNGSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224958496 571633795 /nfs/dbraw/zinc/63/37/95/571633795.db2.gz PEEZCFUMVFMUTA-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224958730 571633838 /nfs/dbraw/zinc/63/38/38/571633838.db2.gz NPJKHAJOTHGCIN-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960078 571633974 /nfs/dbraw/zinc/63/39/74/571633974.db2.gz WQVOFGLELKYVMN-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224959953 571634006 /nfs/dbraw/zinc/63/40/06/571634006.db2.gz WQVOFGLELKYVMN-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224961427 571634160 /nfs/dbraw/zinc/63/41/60/571634160.db2.gz LKKYDKWTDYDWDC-WUFINQPMSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224961460 571634192 /nfs/dbraw/zinc/63/41/92/571634192.db2.gz LKKYDKWTDYDWDC-VSGBNLITSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224962869 571634352 /nfs/dbraw/zinc/63/43/52/571634352.db2.gz JKCIUWNJPVESRG-SVBPBHIXSA-N 0 0 564.067 6.245 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224978409 571635626 /nfs/dbraw/zinc/63/56/26/571635626.db2.gz RHZOYOIKKLWOIV-CONSDPRKSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224985716 571636427 /nfs/dbraw/zinc/63/64/27/571636427.db2.gz AJZILVYFDJFRNG-AJQTZOPKSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224986930 571636556 /nfs/dbraw/zinc/63/65/56/571636556.db2.gz ACLWYUOZRVLTNY-CONSDPRKSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224987461 571636590 /nfs/dbraw/zinc/63/65/90/571636590.db2.gz QFYQNRMWCDYFAR-CONSDPRKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224988277 571636730 /nfs/dbraw/zinc/63/67/30/571636730.db2.gz XKXZOEZZVMRJKU-IOWSJCHKSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224990110 571636928 /nfs/dbraw/zinc/63/69/28/571636928.db2.gz XIKWMJARSBDGBH-JHOUSYSJSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224991053 571637079 /nfs/dbraw/zinc/63/70/79/571637079.db2.gz GSLDPSGGNOCLIX-ROJLCIKYSA-N 0 0 604.651 8.518 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224991480 571637098 /nfs/dbraw/zinc/63/70/98/571637098.db2.gz FYBMSFXZFLOEAL-ACHIHNKUSA-N 0 0 631.202 7.473 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991936 571637147 /nfs/dbraw/zinc/63/71/47/571637147.db2.gz OJXYLNKNWZHUNU-AJQTZOPKSA-N 0 0 620.650 8.218 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991899 571637156 /nfs/dbraw/zinc/63/71/56/571637156.db2.gz OJXYLNKNWZHUNU-ZWXJPIIXSA-N 0 0 620.650 8.218 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224992710 571637231 /nfs/dbraw/zinc/63/72/31/571637231.db2.gz OAJAYAJNUIGOGQ-FIRIVFDPSA-N 0 0 571.194 7.259 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000225002914 571638207 /nfs/dbraw/zinc/63/82/07/571638207.db2.gz CQQWQXDXMGIVAQ-ACHIHNKUSA-N 0 0 614.215 7.343 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000225002785 571638209 /nfs/dbraw/zinc/63/82/09/571638209.db2.gz CQQWQXDXMGIVAQ-ROJLCIKYSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225042004 571641354 /nfs/dbraw/zinc/64/13/54/571641354.db2.gz CSVWWCOJNZEJMN-ACHIHNKUSA-N 0 0 531.729 7.117 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225043303 571641535 /nfs/dbraw/zinc/64/15/35/571641535.db2.gz OCKRNYUIJQDEKV-IHLOFXLRSA-N 0 0 509.723 6.526 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225044547 571641625 /nfs/dbraw/zinc/64/16/25/571641625.db2.gz DMMQIENICMEKPX-NSOVKSMOSA-N 0 0 516.114 6.617 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225045590 571641717 /nfs/dbraw/zinc/64/17/17/571641717.db2.gz DSMUYRPNJYVQRZ-FQLXRVMXSA-N 0 0 511.695 5.972 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048242 571642033 /nfs/dbraw/zinc/64/20/33/571642033.db2.gz HVQJBGJOURUYPB-WDYNHAJCSA-N 0 0 556.692 5.881 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049278 571642131 /nfs/dbraw/zinc/64/21/31/571642131.db2.gz DNDBFGHMUHTSLT-IGYGKHONSA-N 0 0 523.750 6.835 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225070840 571644063 /nfs/dbraw/zinc/64/40/63/571644063.db2.gz VRFGZGOAQAUIKO-AARKOHAPSA-N 0 0 623.782 7.837 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225071676 571644137 /nfs/dbraw/zinc/64/41/37/571644137.db2.gz MTXOGXHAQHGKOS-KKLWWLSJSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225072931 571644245 /nfs/dbraw/zinc/64/42/45/571644245.db2.gz OBCHOHFXIWHSAQ-CZNDPXEESA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225073518 571644320 /nfs/dbraw/zinc/64/43/20/571644320.db2.gz VGFCYWBTSYIWND-JHOUSYSJSA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225073924 571644348 /nfs/dbraw/zinc/64/43/48/571644348.db2.gz GCJKHWLHDLGLNA-CZNDPXEESA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225073960 571644392 /nfs/dbraw/zinc/64/43/92/571644392.db2.gz GCJKHWLHDLGLNA-SAIUNTKASA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225074297 571644400 /nfs/dbraw/zinc/64/44/00/571644400.db2.gz WGADRLMOZZXFJR-SAIUNTKASA-N 0 0 589.721 6.389 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225074723 571644466 /nfs/dbraw/zinc/64/44/66/571644466.db2.gz LRKRTMPWGCRWDT-HEVIKAOCSA-N 0 0 603.748 6.692 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225076820 571644686 /nfs/dbraw/zinc/64/46/86/571644686.db2.gz KTHBTWMJDRAQSK-HEVIKAOCSA-N 0 0 617.731 6.412 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225076490 571644690 /nfs/dbraw/zinc/64/46/90/571644690.db2.gz YFBTYENJMFUQJC-LRHLLKFHSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225078450 571644867 /nfs/dbraw/zinc/64/48/67/571644867.db2.gz VVZYYRJPIYNAKQ-JHOUSYSJSA-N 0 0 588.737 6.387 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225093121 571646572 /nfs/dbraw/zinc/64/65/72/571646572.db2.gz XUILFZBBVAUFEI-SAIUNTKASA-N 0 0 638.838 6.496 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NC(=O)C(C)(C)C ZINC000225099800 571647171 /nfs/dbraw/zinc/64/71/71/571647171.db2.gz XIPRMILTCYGVAM-CZNDPXEESA-N 0 0 603.792 7.813 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100897 571647261 /nfs/dbraw/zinc/64/72/61/571647261.db2.gz VIBDHNDGUYCIJT-XZWHSSHBSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103151 571647510 /nfs/dbraw/zinc/64/75/10/571647510.db2.gz FJVZYFRTNWPWCX-FQLXRVMXSA-N 0 0 569.731 6.365 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104430 571647606 /nfs/dbraw/zinc/64/76/06/571647606.db2.gz YXEWHFMPPYBHCB-SAIUNTKASA-N 0 0 624.855 7.506 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105507 571647777 /nfs/dbraw/zinc/64/77/77/571647777.db2.gz YMMBBVJMDDHJLO-IOWSJCHKSA-N 0 0 581.786 7.276 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225118518 571649246 /nfs/dbraw/zinc/64/92/46/571649246.db2.gz VGIQIUDBGOFBJA-XZWHSSHBSA-N 0 0 611.768 6.446 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225118551 571649252 /nfs/dbraw/zinc/64/92/52/571649252.db2.gz VGIQIUDBGOFBJA-KYJUHHDHSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000225129090 571650066 /nfs/dbraw/zinc/65/00/66/571650066.db2.gz VOYLTHJBNKWSFM-WUFINQPMSA-N 0 0 544.124 6.914 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225129895 571650117 /nfs/dbraw/zinc/65/01/17/571650117.db2.gz OKIBEJUPIRDYEQ-IHLOFXLRSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000225129440 571650145 /nfs/dbraw/zinc/65/01/45/571650145.db2.gz UBDYPWJCCVDRSC-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225130015 571650203 /nfs/dbraw/zinc/65/02/03/571650203.db2.gz CAWVGAPTMWXHSX-LOYHVIPDSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000225130541 571650239 /nfs/dbraw/zinc/65/02/39/571650239.db2.gz FVBASGIZXUEGDL-IZLXSDGUSA-N 0 0 562.114 7.053 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225133017 571650439 /nfs/dbraw/zinc/65/04/39/571650439.db2.gz KQUUSWACTJNYEO-AJQTZOPKSA-N 0 0 615.247 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225133180 571650458 /nfs/dbraw/zinc/65/04/58/571650458.db2.gz IOCCFYMDADVABJ-WUFINQPMSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225133385 571650471 /nfs/dbraw/zinc/65/04/71/571650471.db2.gz UHCUOJSHPXPXTG-NSOVKSMOSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225134044 571650490 /nfs/dbraw/zinc/65/04/90/571650490.db2.gz FTANXPZGMBNMGA-KYJUHHDHSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000225133878 571650522 /nfs/dbraw/zinc/65/05/22/571650522.db2.gz PMEMZXMAZMHXJF-JDXGNMNLSA-N 0 0 572.178 7.531 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225134649 571650534 /nfs/dbraw/zinc/65/05/34/571650534.db2.gz LLTMIJCDBLEZNX-VMPREFPWSA-N 0 0 619.147 6.831 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000225134778 571650586 /nfs/dbraw/zinc/65/05/86/571650586.db2.gz TXQJAZXGCKAXDM-URLMMPGGSA-N 0 0 619.147 6.831 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000225134814 571650593 /nfs/dbraw/zinc/65/05/93/571650593.db2.gz TXQJAZXGCKAXDM-VMPREFPWSA-N 0 0 619.147 6.831 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225134912 571650622 /nfs/dbraw/zinc/65/06/22/571650622.db2.gz MEZOQIYELGTCBD-WDYNHAJCSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000225136038 571650746 /nfs/dbraw/zinc/65/07/46/571650746.db2.gz OASRJNHRDMGXJT-WUFINQPMSA-N 0 0 559.139 6.618 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)cc1 ZINC000225145654 571651906 /nfs/dbraw/zinc/65/19/06/571651906.db2.gz KDZRBSONXMNBHN-NSOVKSMOSA-N 0 0 560.123 6.614 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225156080 571652931 /nfs/dbraw/zinc/65/29/31/571652931.db2.gz TVBFCTXPIZTWSE-LQJZCPKCSA-N 0 0 559.739 7.476 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1C ZINC000225157635 571653057 /nfs/dbraw/zinc/65/30/57/571653057.db2.gz AROAOHVBWSRFAF-JSOSNVBQSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225157843 571653081 /nfs/dbraw/zinc/65/30/81/571653081.db2.gz YWCUSCUYYVNMLL-URLMMPGGSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225158357 571653111 /nfs/dbraw/zinc/65/31/11/571653111.db2.gz DFMARFHYBFTMHA-WDYNHAJCSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225158749 571653200 /nfs/dbraw/zinc/65/32/00/571653200.db2.gz HMVFWNOXIFOHSD-URLMMPGGSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225159746 571653215 /nfs/dbraw/zinc/65/32/15/571653215.db2.gz HAFXJXGJNQZQAQ-XZWHSSHBSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225159621 571653245 /nfs/dbraw/zinc/65/32/45/571653245.db2.gz VMMHVAJJROXPKV-FQLXRVMXSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225161446 571653390 /nfs/dbraw/zinc/65/33/90/571653390.db2.gz KAPSTHUKYLEDBR-JSOSNVBQSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225161037 571653401 /nfs/dbraw/zinc/65/34/01/571653401.db2.gz KKCRRPUWGCPXDK-VMPREFPWSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225161309 571653425 /nfs/dbraw/zinc/65/34/25/571653425.db2.gz IIUHWRCWEHELQS-IOWSJCHKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225161829 571653458 /nfs/dbraw/zinc/65/34/58/571653458.db2.gz KECXREDHFFHQRN-IOWSJCHKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225162565 571653479 /nfs/dbraw/zinc/65/34/79/571653479.db2.gz JHJNPAMVRUMBMF-LOYHVIPDSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225162049 571653485 /nfs/dbraw/zinc/65/34/85/571653485.db2.gz RVQTUUYWFFLKJK-LOYHVIPDSA-N 0 0 553.688 6.052 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225162141 571653509 /nfs/dbraw/zinc/65/35/09/571653509.db2.gz MRRPRTBVUCFMOB-BHYZAODMSA-N 0 0 551.760 7.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225162313 571653510 /nfs/dbraw/zinc/65/35/10/571653510.db2.gz CNFZOSVXALJHDX-IHLOFXLRSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225162447 571653514 /nfs/dbraw/zinc/65/35/14/571653514.db2.gz JHJNPAMVRUMBMF-KYJUHHDHSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225162184 571653517 /nfs/dbraw/zinc/65/35/17/571653517.db2.gz MRRPRTBVUCFMOB-XDFJSJKPSA-N 0 0 551.760 7.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OC ZINC000225177743 571654920 /nfs/dbraw/zinc/65/49/20/571654920.db2.gz IPDWAVLNMLOEHV-VMPREFPWSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1OC ZINC000225178777 571655008 /nfs/dbraw/zinc/65/50/08/571655008.db2.gz PPUFZXBIMHVHOF-VMPREFPWSA-N 0 0 541.721 6.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC ZINC000225185355 571655725 /nfs/dbraw/zinc/65/57/25/571655725.db2.gz NHWXLUIBJWRPDG-LOYHVIPDSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC ZINC000225185564 571655736 /nfs/dbraw/zinc/65/57/36/571655736.db2.gz QUBZJTFNCWISSE-VMPREFPWSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1OC ZINC000225185732 571655782 /nfs/dbraw/zinc/65/57/82/571655782.db2.gz UEWIGVJJCFOOJQ-CONSDPRKSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC ZINC000225186592 571655886 /nfs/dbraw/zinc/65/58/86/571655886.db2.gz XCLUROUUQAOQAN-URLMMPGGSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1OC ZINC000225187066 571655926 /nfs/dbraw/zinc/65/59/26/571655926.db2.gz KBMYQWYYEKTZON-WDYNHAJCSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC ZINC000225189319 571656136 /nfs/dbraw/zinc/65/61/36/571656136.db2.gz KLKMWQWPYMFIKZ-URLMMPGGSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC ZINC000225189986 571656209 /nfs/dbraw/zinc/65/62/09/571656209.db2.gz IJUYMDCJQVOORS-JSOSNVBQSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1OC ZINC000225191578 571656372 /nfs/dbraw/zinc/65/63/72/571656372.db2.gz BXEQOYHMVWNJNU-IHLOFXLRSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1OC ZINC000225192096 571656426 /nfs/dbraw/zinc/65/64/26/571656426.db2.gz LGMBOVQXAROHEX-IZLXSDGUSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1OC ZINC000225202322 571657478 /nfs/dbraw/zinc/65/74/78/571657478.db2.gz XKSMFRQPQCDMTI-KYJUHHDHSA-N 0 0 583.714 5.810 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1OC ZINC000225202664 571657485 /nfs/dbraw/zinc/65/74/85/571657485.db2.gz LXSZXNNAVWYQRN-KYJUHHDHSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000225206071 571657869 /nfs/dbraw/zinc/65/78/69/571657869.db2.gz JDQGKJNHHLNHLV-IZLXSDGUSA-N 0 0 579.648 6.270 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225214300 571658598 /nfs/dbraw/zinc/65/85/98/571658598.db2.gz RJKYSJNRLCZGRW-XZWHSSHBSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000225214400 571658604 /nfs/dbraw/zinc/65/86/04/571658604.db2.gz USOQTCJIXHCFAD-NSOVKSMOSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000225214919 571658640 /nfs/dbraw/zinc/65/86/40/571658640.db2.gz XAZHXTUONYSBRE-NSOVKSMOSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000225215268 571658706 /nfs/dbraw/zinc/65/87/06/571658706.db2.gz GBOHRJBWQUUQHQ-NSOVKSMOSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000225215675 571658738 /nfs/dbraw/zinc/65/87/38/571658738.db2.gz AULBBZPXCIUABE-WUFINQPMSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000225215764 571658752 /nfs/dbraw/zinc/65/87/52/571658752.db2.gz ARHZMMFXLDLPSI-NSOVKSMOSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 ZINC000225216399 571658879 /nfs/dbraw/zinc/65/88/79/571658879.db2.gz NKVMGOVDGLJYEB-FQLXRVMXSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000225217162 571658922 /nfs/dbraw/zinc/65/89/22/571658922.db2.gz VFXYPGZFLZPNGL-KYJUHHDHSA-N 0 0 554.720 5.317 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000225217280 571658926 /nfs/dbraw/zinc/65/89/26/571658926.db2.gz VFXYPGZFLZPNGL-LOYHVIPDSA-N 0 0 554.720 5.317 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000225217724 571658963 /nfs/dbraw/zinc/65/89/63/571658963.db2.gz CSCUHSXATKUUQK-IZLXSDGUSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000225217976 571659006 /nfs/dbraw/zinc/65/90/06/571659006.db2.gz CVTBASQPXKJXCV-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000225218153 571659008 /nfs/dbraw/zinc/65/90/08/571659008.db2.gz WEQMTIGJIOUAOF-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000225218725 571659108 /nfs/dbraw/zinc/65/91/08/571659108.db2.gz FGTNQAHKECITJS-SMCANUKXSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000225219450 571659226 /nfs/dbraw/zinc/65/92/26/571659226.db2.gz JXMRNYRZQGEIFV-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000225219407 571659228 /nfs/dbraw/zinc/65/92/28/571659228.db2.gz JXMRNYRZQGEIFV-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000225219842 571659252 /nfs/dbraw/zinc/65/92/52/571659252.db2.gz UHARTUKQUZENQA-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000225234324 571660851 /nfs/dbraw/zinc/66/08/51/571660851.db2.gz WSKFPNKLTLJPNN-ROJLCIKYSA-N 0 0 631.202 5.741 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000225234252 571660860 /nfs/dbraw/zinc/66/08/60/571660860.db2.gz WSKFPNKLTLJPNN-ZWXJPIIXSA-N 0 0 631.202 5.741 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000225241354 571661625 /nfs/dbraw/zinc/66/16/25/571661625.db2.gz KLNZMBMRQMMWBV-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000225241477 571661649 /nfs/dbraw/zinc/66/16/49/571661649.db2.gz FXQUNLBEDAZDQN-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000225242631 571661735 /nfs/dbraw/zinc/66/17/35/571661735.db2.gz ZBEVLZBUBFNEMM-WUFINQPMSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000225243870 571661890 /nfs/dbraw/zinc/66/18/90/571661890.db2.gz MXYUGWOWTABIDH-IZLXSDGUSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000225243708 571661924 /nfs/dbraw/zinc/66/19/24/571661924.db2.gz NUEMDLIYAVZWJD-IZLXSDGUSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000225244244 571661957 /nfs/dbraw/zinc/66/19/57/571661957.db2.gz KMKAROAETQRDGC-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000225244213 571661981 /nfs/dbraw/zinc/66/19/81/571661981.db2.gz KMKAROAETQRDGC-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000225245247 571662046 /nfs/dbraw/zinc/66/20/46/571662046.db2.gz RSMREKUSXDDLFJ-VSGBNLITSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000225245460 571662078 /nfs/dbraw/zinc/66/20/78/571662078.db2.gz BVULSUISFPPGSW-KYJUHHDHSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000225246097 571662090 /nfs/dbraw/zinc/66/20/90/571662090.db2.gz AVVUHBURZSITSG-VMPREFPWSA-N 0 0 590.105 5.633 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000225246014 571662118 /nfs/dbraw/zinc/66/21/18/571662118.db2.gz QWTXATKFFKBKGI-XZWHSSHBSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000225246609 571662160 /nfs/dbraw/zinc/66/21/60/571662160.db2.gz GYDSQYPJZHCWDU-WDYNHAJCSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000225257762 571663397 /nfs/dbraw/zinc/66/33/97/571663397.db2.gz BJYUOIYGFKTVRF-URLMMPGGSA-N 0 0 604.132 5.691 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225268275 571664689 /nfs/dbraw/zinc/66/46/89/571664689.db2.gz GDPHTAUNAZLQLU-IOWSJCHKSA-N 0 0 553.732 6.122 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225268472 571664743 /nfs/dbraw/zinc/66/47/43/571664743.db2.gz ROGDLOHSNZJYKW-CONSDPRKSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225269451 571664799 /nfs/dbraw/zinc/66/47/99/571664799.db2.gz CXAGBRAVAAPUMN-VMPREFPWSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225269400 571664804 /nfs/dbraw/zinc/66/48/04/571664804.db2.gz SSPGSXDTPLPMHX-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225269779 571664859 /nfs/dbraw/zinc/66/48/59/571664859.db2.gz JNFIRNHVVLDFIR-WDYNHAJCSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225273544 571665351 /nfs/dbraw/zinc/66/53/51/571665351.db2.gz ZRQXOQBPTVZYQP-XZWHSSHBSA-N 0 0 590.149 6.222 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225273859 571665353 /nfs/dbraw/zinc/66/53/53/571665353.db2.gz KELMUDYVNMSSHE-XDFJSJKPSA-N 0 0 567.759 6.430 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C ZINC000225283543 571666296 /nfs/dbraw/zinc/66/62/96/571666296.db2.gz OWYWQDMKMVAIME-NSOVKSMOSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225284079 571666395 /nfs/dbraw/zinc/66/63/95/571666395.db2.gz JJIKZFJZYZSVSI-XZWHSSHBSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225284323 571666402 /nfs/dbraw/zinc/66/64/02/571666402.db2.gz AJWWAGFWLZSHMA-KYJUHHDHSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1OC ZINC000225288323 571666865 /nfs/dbraw/zinc/66/68/65/571666865.db2.gz SIMAJXYNULNUFU-CZNDPXEESA-N 0 0 626.783 5.096 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1OC ZINC000225294869 571667733 /nfs/dbraw/zinc/66/77/33/571667733.db2.gz LZWXMTOADDPLIQ-LOYHVIPDSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC ZINC000225294621 571667735 /nfs/dbraw/zinc/66/77/35/571667735.db2.gz VPTHBQISXVMORY-KYJUHHDHSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC ZINC000225294720 571667754 /nfs/dbraw/zinc/66/77/54/571667754.db2.gz VPTHBQISXVMORY-LOYHVIPDSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1OC ZINC000225296220 571667995 /nfs/dbraw/zinc/66/79/95/571667995.db2.gz ANFIZWCAOWJELR-WDYNHAJCSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)ccc1OC ZINC000225296539 571668039 /nfs/dbraw/zinc/66/80/39/571668039.db2.gz KENXDPNFDUFTGV-LOYHVIPDSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)ccc1OC ZINC000225296490 571668059 /nfs/dbraw/zinc/66/80/59/571668059.db2.gz KENXDPNFDUFTGV-IHLOFXLRSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1OC ZINC000225297902 571668320 /nfs/dbraw/zinc/66/83/20/571668320.db2.gz HFRRUIYCIOHXKU-IOWSJCHKSA-N 0 0 584.746 5.326 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1OC ZINC000225298493 571668328 /nfs/dbraw/zinc/66/83/28/571668328.db2.gz AIDCVRDNMQJVJG-FIRIVFDPSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1OC ZINC000225299360 571668475 /nfs/dbraw/zinc/66/84/75/571668475.db2.gz UBEHQGSOKNVRJW-XZWHSSHBSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1OC ZINC000225299398 571668498 /nfs/dbraw/zinc/66/84/98/571668498.db2.gz UBEHQGSOKNVRJW-LOYHVIPDSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1OC ZINC000225299324 571668518 /nfs/dbraw/zinc/66/85/18/571668518.db2.gz UBEHQGSOKNVRJW-IHLOFXLRSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1OC ZINC000225299768 571668558 /nfs/dbraw/zinc/66/85/58/571668558.db2.gz FPNWETHSQAVUPN-KYJUHHDHSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1OC ZINC000225300179 571668590 /nfs/dbraw/zinc/66/85/90/571668590.db2.gz GMBACOCPLWGBPP-LOYHVIPDSA-N 0 0 606.148 5.922 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NC(C)=O ZINC000225312042 571670367 /nfs/dbraw/zinc/67/03/67/571670367.db2.gz MEVFTXKEPGUVHZ-ZWXJPIIXSA-N 0 0 596.757 5.470 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NC(C)=O ZINC000225312865 571670653 /nfs/dbraw/zinc/67/06/53/571670653.db2.gz WQSVIKYGUIGABE-IZLXSDGUSA-N 0 0 562.139 6.511 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NC(C)=O ZINC000225317722 571672109 /nfs/dbraw/zinc/67/21/09/571672109.db2.gz RGNPLZAKCOHFQF-ROJLCIKYSA-N 0 0 561.711 6.786 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NC(C)=O ZINC000225318390 571672259 /nfs/dbraw/zinc/67/22/59/571672259.db2.gz GJHGBGFTKJGIQZ-VMPREFPWSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NC(C)=O ZINC000225319325 571673338 /nfs/dbraw/zinc/67/33/38/571673338.db2.gz CMIFUKXPJCWJKY-VSGBNLITSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NC(C)=O ZINC000225319563 571673888 /nfs/dbraw/zinc/67/38/88/571673888.db2.gz RXHRTIUUEIISQN-WUFINQPMSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NC(C)=O ZINC000225319813 571674400 /nfs/dbraw/zinc/67/44/00/571674400.db2.gz NZWFKGWPQAWDHD-IZLXSDGUSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NC(C)=O ZINC000225319993 571674770 /nfs/dbraw/zinc/67/47/70/571674770.db2.gz JIFZLPDBHLVAFW-NSOVKSMOSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NC(C)=O ZINC000225320003 571674872 /nfs/dbraw/zinc/67/48/72/571674872.db2.gz JIFZLPDBHLVAFW-IZLXSDGUSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NC(C)=O ZINC000225321312 571676725 /nfs/dbraw/zinc/67/67/25/571676725.db2.gz LPSZOAIFRDUMFL-IHLOFXLRSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NC(C)=O ZINC000225322478 571678003 /nfs/dbraw/zinc/67/80/03/571678003.db2.gz QZQPUVJWDUQXSB-FQLXRVMXSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NC(C)=O ZINC000225323502 571679545 /nfs/dbraw/zinc/67/95/45/571679545.db2.gz ASKXZEWLZVTBJG-IZLXSDGUSA-N 0 0 526.666 5.337 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225332809 571690996 /nfs/dbraw/zinc/69/09/96/571690996.db2.gz HWFYVSKRXXVCND-URLMMPGGSA-N 0 0 569.687 5.420 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225332884 571691059 /nfs/dbraw/zinc/69/10/59/571691059.db2.gz UMBVASMQQGJAOT-FQLXRVMXSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225336045 571694104 /nfs/dbraw/zinc/69/41/04/571694104.db2.gz JWJPZLRBAPGARS-NSOVKSMOSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225335938 571694201 /nfs/dbraw/zinc/69/42/01/571694201.db2.gz JWJPZLRBAPGARS-VSGBNLITSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000225344664 571704691 /nfs/dbraw/zinc/70/46/91/571704691.db2.gz OLRLERVVYTYZSK-NSOVKSMOSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225344930 571704738 /nfs/dbraw/zinc/70/47/38/571704738.db2.gz VZEHUGHOGFSXCL-WUFINQPMSA-N 0 0 561.549 7.216 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801507 571709371 /nfs/dbraw/zinc/70/93/71/571709371.db2.gz AKYZSTBRVXIJCE-PMACEKPBSA-N 0 0 556.153 6.041 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348686 571709689 /nfs/dbraw/zinc/70/96/89/571709689.db2.gz DBAJMQDTORPENT-VMPREFPWSA-N 0 0 547.124 7.115 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225349012 571710139 /nfs/dbraw/zinc/71/01/39/571710139.db2.gz YDFGJOCMXPQJIR-SMCANUKXSA-N 0 0 524.734 7.324 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225359078 571720643 /nfs/dbraw/zinc/72/06/43/571720643.db2.gz AAOFWNZTTLLYBG-FQLXRVMXSA-N 0 0 540.689 6.240 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225359325 571720716 /nfs/dbraw/zinc/72/07/16/571720716.db2.gz IVWCYGVOXUDDBG-VMPREFPWSA-N 0 0 540.689 6.240 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225359143 571720769 /nfs/dbraw/zinc/72/07/69/571720769.db2.gz AAOFWNZTTLLYBG-URLMMPGGSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225362405 571724603 /nfs/dbraw/zinc/72/46/03/571724603.db2.gz XOMZGMAXPFWBQI-KKLWWLSJSA-N 0 0 593.797 6.824 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225369272 571733933 /nfs/dbraw/zinc/73/39/33/571733933.db2.gz ZKCZLDVIBSNJKQ-ZWXJPIIXSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225369689 571734708 /nfs/dbraw/zinc/73/47/08/571734708.db2.gz GVLKINLYPAGEKZ-LOYHVIPDSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Br ZINC000225370501 571735580 /nfs/dbraw/zinc/73/55/80/571735580.db2.gz ANKMEBMVHDWSPD-IHLOFXLRSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225372290 571737854 /nfs/dbraw/zinc/73/78/54/571737854.db2.gz WRBDPVZICBCQOK-IHLOFXLRSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225372257 571737907 /nfs/dbraw/zinc/73/79/07/571737907.db2.gz WRBDPVZICBCQOK-LOYHVIPDSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225372576 571738001 /nfs/dbraw/zinc/73/80/01/571738001.db2.gz HCFWMOVFYDEDOB-ZWXJPIIXSA-N 0 0 536.745 7.604 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225373739 571739763 /nfs/dbraw/zinc/73/97/63/571739763.db2.gz QNUSQTCIVNNSIX-FIRIVFDPSA-N 0 0 583.714 6.904 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260851012 571750698 /nfs/dbraw/zinc/75/06/98/571750698.db2.gz ATRBFSGPWQIXJB-URLMMPGGSA-N 0 0 560.167 7.201 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260851001 571750710 /nfs/dbraw/zinc/75/07/10/571750710.db2.gz AMJMACNWUTTWHY-URLMMPGGSA-N 0 0 576.166 6.437 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1OC ZINC000260851035 571750726 /nfs/dbraw/zinc/75/07/26/571750726.db2.gz CEUZEPWVHPRSKA-URLMMPGGSA-N 0 0 576.166 6.901 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851098 571751311 /nfs/dbraw/zinc/75/13/11/571751311.db2.gz FANTVZIUQJSJHY-URLMMPGGSA-N 0 0 560.167 6.676 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260851131 571751432 /nfs/dbraw/zinc/75/14/32/571751432.db2.gz GWEVAXOCOFRBGD-VSGBNLITSA-N 0 0 562.139 6.129 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225383258 571751574 /nfs/dbraw/zinc/75/15/74/571751574.db2.gz DHUSDAFMZJDZEU-JSOSNVBQSA-N 0 0 566.727 6.774 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225383399 571752067 /nfs/dbraw/zinc/75/20/67/571752067.db2.gz ZFCPOLUJNCCADT-JSOSNVBQSA-N 0 0 566.727 6.774 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225383326 571752088 /nfs/dbraw/zinc/75/20/88/571752088.db2.gz DHUSDAFMZJDZEU-CONSDPRKSA-N 0 0 566.727 6.774 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260852613 571752841 /nfs/dbraw/zinc/75/28/41/571752841.db2.gz UTNUDIQYYOKRQF-URLMMPGGSA-N 0 0 525.722 6.023 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1OC ZINC000260852620 571752914 /nfs/dbraw/zinc/75/29/14/571752914.db2.gz UWSGBNABOFZEBO-URLMMPGGSA-N 0 0 557.720 5.484 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260852549 571752920 /nfs/dbraw/zinc/75/29/20/571752920.db2.gz RNJNFSOJHRMMQA-FQLXRVMXSA-N 0 0 560.167 6.676 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000260852641 571753410 /nfs/dbraw/zinc/75/34/10/571753410.db2.gz VITVJWNDRVBHQG-FQLXRVMXSA-N 0 0 525.722 6.547 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225394383 571763273 /nfs/dbraw/zinc/76/32/73/571763273.db2.gz GCPXUFHVYNJXEY-NSOVKSMOSA-N 0 0 545.734 5.600 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225394118 571763412 /nfs/dbraw/zinc/76/34/12/571763412.db2.gz QLLYKSGFCYXUII-IZLXSDGUSA-N 0 0 545.734 5.600 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225397273 571767179 /nfs/dbraw/zinc/76/71/79/571767179.db2.gz IFAVRXOQIQAIKY-VSGBNLITSA-N 0 0 560.749 5.104 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225397970 571767701 /nfs/dbraw/zinc/76/77/01/571767701.db2.gz MYIMJDVIILHRSO-UIOOFZCWSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225399102 571768723 /nfs/dbraw/zinc/76/87/23/571768723.db2.gz YLQRVQWPUSMLGK-YTMVLYRLSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225399246 571768865 /nfs/dbraw/zinc/76/88/65/571768865.db2.gz PYVSHXKQUDZMJR-RRPNLBNLSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225399714 571769439 /nfs/dbraw/zinc/76/94/39/571769439.db2.gz MHTHEZMPHFDPSP-KAYWLYCHSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400095 571770013 /nfs/dbraw/zinc/77/00/13/571770013.db2.gz YWIXDRQSEAPSDZ-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400130 571770019 /nfs/dbraw/zinc/77/00/19/571770019.db2.gz YWIXDRQSEAPSDZ-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225421022 571788393 /nfs/dbraw/zinc/78/83/93/571788393.db2.gz YFJJSIFPEIXQFZ-KAYWLYCHSA-N 0 0 598.150 5.405 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225424618 571790958 /nfs/dbraw/zinc/79/09/58/571790958.db2.gz NAKFJGCBSSHFBG-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425280 571791465 /nfs/dbraw/zinc/79/14/65/571791465.db2.gz JSGGVERVHYLYNU-WDYNHAJCSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426392 571793045 /nfs/dbraw/zinc/79/30/45/571793045.db2.gz NKYQESCQRWAUOX-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428586 571795629 /nfs/dbraw/zinc/79/56/29/571795629.db2.gz LWVSEYUMUUUXQH-SVBPBHIXSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225429186 571796379 /nfs/dbraw/zinc/79/63/79/571796379.db2.gz LWVSEYUMUUUXQH-KAYWLYCHSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225429244 571796953 /nfs/dbraw/zinc/79/69/53/571796953.db2.gz KNQSFOYQAJFIJL-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225431305 571798950 /nfs/dbraw/zinc/79/89/50/571798950.db2.gz SMCJFULAOUJGQR-WUFINQPMSA-N 0 0 612.177 5.708 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC000225452592 571823893 /nfs/dbraw/zinc/82/38/93/571823893.db2.gz WOOMOOBICDHWPB-KAYWLYCHSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225453342 571824879 /nfs/dbraw/zinc/82/48/79/571824879.db2.gz OLYJLCSLXHGRRM-SVBPBHIXSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225454149 571825489 /nfs/dbraw/zinc/82/54/89/571825489.db2.gz OSBJFKOEFWUQDW-SVBPBHIXSA-N 0 0 549.697 5.485 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458479 571830592 /nfs/dbraw/zinc/83/05/92/571830592.db2.gz XWJYGIXOQTYWFR-VSGBNLITSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225459136 571831118 /nfs/dbraw/zinc/83/11/18/571831118.db2.gz UZYTXXZGXLAKOZ-SXOMAYOGSA-N 0 0 546.722 5.050 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NS(C)(=O)=O ZINC000225473171 571843058 /nfs/dbraw/zinc/84/30/58/571843058.db2.gz NHUXYZFWZYHOEJ-SVBPBHIXSA-N 0 0 563.749 5.271 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21 ZINC000260914355 571844488 /nfs/dbraw/zinc/84/44/88/571844488.db2.gz GKAONXQAADHXEL-IZZNHLLZSA-N 0 0 519.070 6.273 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NS(C)(=O)=O ZINC000225475934 571846256 /nfs/dbraw/zinc/84/62/56/571846256.db2.gz AKDGOTFRWSOPQY-SXOMAYOGSA-N 0 0 598.150 5.405 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000260916176 571848089 /nfs/dbraw/zinc/84/80/89/571848089.db2.gz HWPSJXLURAERAV-BJUYILBYSA-N 0 0 614.215 7.531 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NS(C)(=O)=O ZINC000225478877 571849140 /nfs/dbraw/zinc/84/91/40/571849140.db2.gz AGAVMSARTKQLHK-SVBPBHIXSA-N 0 0 547.706 5.046 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225479873 571850102 /nfs/dbraw/zinc/85/01/02/571850102.db2.gz OEMINCLPDDPBPH-VMPREFPWSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NS(C)(=O)=O ZINC000225479993 571850569 /nfs/dbraw/zinc/85/05/69/571850569.db2.gz OGXYUAWNXVASAT-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225481421 571852086 /nfs/dbraw/zinc/85/20/86/571852086.db2.gz QWNLWHCGFCZXEB-NSOVKSMOSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482526 571853023 /nfs/dbraw/zinc/85/30/23/571853023.db2.gz IANCWMBVDAAYKJ-SVBPBHIXSA-N 0 0 616.596 6.353 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000260919505 571853038 /nfs/dbraw/zinc/85/30/38/571853038.db2.gz LVCYGEKLCRNXNB-JSPCZOTBSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000260919486 571853065 /nfs/dbraw/zinc/85/30/65/571853065.db2.gz LQTIHAIMVIIDEN-AGILITTLSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260919512 571853232 /nfs/dbraw/zinc/85/32/32/571853232.db2.gz LVOPEWVOQNFMHT-ROJLCIKYSA-N 0 0 581.185 8.645 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21 ZINC000260919542 571853525 /nfs/dbraw/zinc/85/35/25/571853525.db2.gz MBPHZYYOCQMOAW-IZLXSDGUSA-N 0 0 532.157 6.841 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NS(C)(=O)=O ZINC000225483393 571853676 /nfs/dbraw/zinc/85/36/76/571853676.db2.gz QUYQFUIKLBKFMG-PQHLKRTFSA-N 0 0 589.787 5.972 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NS(C)(=O)=O ZINC000225483432 571854291 /nfs/dbraw/zinc/85/42/91/571854291.db2.gz WRJKGWUDXRZEOX-NSOVKSMOSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260921218 571856418 /nfs/dbraw/zinc/85/64/18/571856418.db2.gz OVXVAOZTTSXONJ-RRPNLBNLSA-N 0 0 500.668 5.908 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000260921156 571856467 /nfs/dbraw/zinc/85/64/67/571856467.db2.gz ORARJJUQJKGVKI-QGKSIAKZSA-N 0 0 600.232 7.811 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260921263 571856787 /nfs/dbraw/zinc/85/67/87/571856787.db2.gz PBZZIMBIDDCAAL-JHOUSYSJSA-N 0 0 624.210 7.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000260922600 571859706 /nfs/dbraw/zinc/85/97/06/571859706.db2.gz QJQCGTXIIPNJCW-DOMDLIBDSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000260924204 571862225 /nfs/dbraw/zinc/86/22/25/571862225.db2.gz RZVXVCQKYSKXCS-OPKNDJPNSA-N 0 0 598.260 8.419 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260925553 571864620 /nfs/dbraw/zinc/86/46/20/571864620.db2.gz VLDRLQRYQVHVEK-IOWSJCHKSA-N 0 0 628.223 8.603 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260925671 571865201 /nfs/dbraw/zinc/86/52/01/571865201.db2.gz WNWDXIKKFZTPES-WUFINQPMSA-N 0 0 583.585 7.222 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260925567 571865203 /nfs/dbraw/zinc/86/52/03/571865203.db2.gz VPVWOHYAGRXPLX-ROJLCIKYSA-N 0 0 546.740 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225497534 571866704 /nfs/dbraw/zinc/86/67/04/571866704.db2.gz DZZHDYOBOJIJPT-SVBPBHIXSA-N 0 0 549.622 6.119 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225497471 571866710 /nfs/dbraw/zinc/86/67/10/571866710.db2.gz DZZHDYOBOJIJPT-SXOMAYOGSA-N 0 0 549.622 6.119 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927068 571868016 /nfs/dbraw/zinc/86/80/16/571868016.db2.gz YBXRWHFILGLTIN-KBGNPAQCSA-N 0 0 641.329 8.648 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000260927078 571868107 /nfs/dbraw/zinc/86/81/07/571868107.db2.gz YCDCWVFOFKBFNT-CDFCBCNWSA-N 0 0 556.179 7.494 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260926915 571868170 /nfs/dbraw/zinc/86/81/70/571868170.db2.gz WXSNEIOQYBPBAR-SNRDUXDUSA-N 0 0 600.232 7.811 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225504029 571874301 /nfs/dbraw/zinc/87/43/01/571874301.db2.gz UTMNJJYRCXXJLQ-WDYNHAJCSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225505253 571875534 /nfs/dbraw/zinc/87/55/34/571875534.db2.gz MKQAOOGIXLJCSH-SXOMAYOGSA-N 0 0 560.521 5.863 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506133 571876340 /nfs/dbraw/zinc/87/63/40/571876340.db2.gz AJHGXLBALHQASL-IZLXSDGUSA-N 0 0 511.651 5.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225507019 571878141 /nfs/dbraw/zinc/87/81/41/571878141.db2.gz WMVNDZYKRKFMIY-SXOMAYOGSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225507350 571878196 /nfs/dbraw/zinc/87/81/96/571878196.db2.gz XUZCGHHFAGKWJK-URLMMPGGSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225507168 571878198 /nfs/dbraw/zinc/87/81/98/571878198.db2.gz ZUOJYMZHFUCCGN-SXOMAYOGSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225508081 571879161 /nfs/dbraw/zinc/87/91/61/571879161.db2.gz MMHOZCBAOMXWTE-MFMCTBQISA-N 0 0 523.706 6.026 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225508576 571879527 /nfs/dbraw/zinc/87/95/27/571879527.db2.gz ZNYJKTFHGDIXNZ-NSOVKSMOSA-N 0 0 556.648 5.017 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509230 571880473 /nfs/dbraw/zinc/88/04/73/571880473.db2.gz SGLIGKHFBGAZCL-DGPALRBDSA-N 0 0 523.706 5.971 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000225528022 571894430 /nfs/dbraw/zinc/89/44/30/571894430.db2.gz JPRZPGIVDUAKLO-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000225527942 571894484 /nfs/dbraw/zinc/89/44/84/571894484.db2.gz KHBKCOYQNZVTHZ-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225528130 571894953 /nfs/dbraw/zinc/89/49/53/571894953.db2.gz RMNSEBVMYKMQBU-IZLXSDGUSA-N 0 0 563.649 6.509 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225528264 571895051 /nfs/dbraw/zinc/89/50/51/571895051.db2.gz UYSOQYBCTXPRHB-XZWHSSHBSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000225528743 571895380 /nfs/dbraw/zinc/89/53/80/571895380.db2.gz BPJLSZVNIVJHJZ-NSOVKSMOSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000225528589 571895565 /nfs/dbraw/zinc/89/55/65/571895565.db2.gz LPWNDELBNTWVTC-IZLXSDGUSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225529005 571895886 /nfs/dbraw/zinc/89/58/86/571895886.db2.gz SFDYAJZIOBNVEU-IZLXSDGUSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225529146 571895902 /nfs/dbraw/zinc/89/59/02/571895902.db2.gz KDCMIZSYQKOXRK-NSOVKSMOSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225528984 571895989 /nfs/dbraw/zinc/89/59/89/571895989.db2.gz SFDYAJZIOBNVEU-VSGBNLITSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225529193 571896038 /nfs/dbraw/zinc/89/60/38/571896038.db2.gz MTEVXVFFYBVFNG-IZLXSDGUSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225529106 571896074 /nfs/dbraw/zinc/89/60/74/571896074.db2.gz KDCMIZSYQKOXRK-IZLXSDGUSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225530267 571897166 /nfs/dbraw/zinc/89/71/66/571897166.db2.gz WIOATVDHBAZUQB-IZLXSDGUSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225530892 571897697 /nfs/dbraw/zinc/89/76/97/571897697.db2.gz AQEGECCNBBRCED-FQLXRVMXSA-N 0 0 539.661 5.219 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225542961 571907628 /nfs/dbraw/zinc/90/76/28/571907628.db2.gz SIWOSEMTWJWQOT-KYJUHHDHSA-N 0 0 539.749 6.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225548367 571911426 /nfs/dbraw/zinc/91/14/26/571911426.db2.gz FLEBYIKQHFAVMK-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3CC)c2C)cc1 ZINC000225548722 571911588 /nfs/dbraw/zinc/91/15/88/571911588.db2.gz AQSASPQHQJNDBD-ROJLCIKYSA-N 0 0 551.760 6.615 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225549366 571912018 /nfs/dbraw/zinc/91/20/18/571912018.db2.gz WPUYWPFZQSALSW-XZWHSSHBSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225549477 571912093 /nfs/dbraw/zinc/91/20/93/571912093.db2.gz GKPUFEUIRPMOMV-IHLOFXLRSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225549544 571912149 /nfs/dbraw/zinc/91/21/49/571912149.db2.gz GKPUFEUIRPMOMV-LOYHVIPDSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225550208 571912732 /nfs/dbraw/zinc/91/27/32/571912732.db2.gz REZMUUXCONBPCB-IHLOFXLRSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000225550484 571913224 /nfs/dbraw/zinc/91/32/24/571913224.db2.gz SIUCWLGJXCNRMX-JSOSNVBQSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000225551331 571914031 /nfs/dbraw/zinc/91/40/31/571914031.db2.gz UUAMYGDUNXFVGD-KKLWWLSJSA-N 0 0 594.829 6.899 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000225553537 571916144 /nfs/dbraw/zinc/91/61/44/571916144.db2.gz BNWAUBXEGNABKE-ZQWAWDFXSA-N 0 0 565.787 6.924 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225553230 571916268 /nfs/dbraw/zinc/91/62/68/571916268.db2.gz ATPIVBJSGFETFW-IOWSJCHKSA-N 0 0 588.177 6.715 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000225561702 571923521 /nfs/dbraw/zinc/92/35/21/571923521.db2.gz TZULTSTVVOURSB-IOWSJCHKSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225567562 571929615 /nfs/dbraw/zinc/92/96/15/571929615.db2.gz YDJJQUMUAJTMFL-URLMMPGGSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225569932 571931790 /nfs/dbraw/zinc/93/17/90/571931790.db2.gz MZJPRVUYZTYGND-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225570482 571932015 /nfs/dbraw/zinc/93/20/15/571932015.db2.gz IXNAOZUZMCIQCM-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225571058 571932409 /nfs/dbraw/zinc/93/24/09/571932409.db2.gz ZURSIRDBKILKAA-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225571385 571932706 /nfs/dbraw/zinc/93/27/06/571932706.db2.gz RNIODMWTLKREJK-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1O ZINC000225571506 571932877 /nfs/dbraw/zinc/93/28/77/571932877.db2.gz NJEYUYJAJPTRAL-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225571295 571932883 /nfs/dbraw/zinc/93/28/83/571932883.db2.gz BUBWDGQQCRQEHV-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225571426 571932890 /nfs/dbraw/zinc/93/28/90/571932890.db2.gz RNIODMWTLKREJK-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225571727 571932993 /nfs/dbraw/zinc/93/29/93/571932993.db2.gz SEJMUNDRHNVUTN-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225572409 571933512 /nfs/dbraw/zinc/93/35/12/571933512.db2.gz FVEUOVVPDRFXLE-JSOSNVBQSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225572771 571934093 /nfs/dbraw/zinc/93/40/93/571934093.db2.gz QLJDRNNFMALNAE-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225573626 571934324 /nfs/dbraw/zinc/93/43/24/571934324.db2.gz IFBCTOWQUSQWET-XDFJSJKPSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225573458 571934431 /nfs/dbraw/zinc/93/44/31/571934431.db2.gz QIVYHRINOBVLMG-LOYHVIPDSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225573661 571934458 /nfs/dbraw/zinc/93/44/58/571934458.db2.gz IFBCTOWQUSQWET-CDZUIXILSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225574120 571934712 /nfs/dbraw/zinc/93/47/12/571934712.db2.gz VKZRFHITIIIXNB-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225582471 571941645 /nfs/dbraw/zinc/94/16/45/571941645.db2.gz YMOBNUONGXZGKT-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225584623 571943032 /nfs/dbraw/zinc/94/30/32/571943032.db2.gz RQBOCZUNICNQSV-WUFINQPMSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225584743 571943445 /nfs/dbraw/zinc/94/34/45/571943445.db2.gz HMUGXSBYXIRREX-ACHIHNKUSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225589555 571946347 /nfs/dbraw/zinc/94/63/47/571946347.db2.gz BHIVLKZXECADKX-ZWXJPIIXSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000225590998 571947113 /nfs/dbraw/zinc/94/71/13/571947113.db2.gz XNRCHGPQPNRLOK-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225591451 571947324 /nfs/dbraw/zinc/94/73/24/571947324.db2.gz AYUZVWFXVIBLAE-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225591381 571947377 /nfs/dbraw/zinc/94/73/77/571947377.db2.gz AYUZVWFXVIBLAE-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225591584 571947748 /nfs/dbraw/zinc/94/77/48/571947748.db2.gz IDXMLSTXVSLABT-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225592471 571948497 /nfs/dbraw/zinc/94/84/97/571948497.db2.gz HPOSFITVOONIBY-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593197 571948762 /nfs/dbraw/zinc/94/87/62/571948762.db2.gz IGTLKEPOHADLKE-ZWXJPIIXSA-N 0 0 584.765 6.476 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225593118 571948845 /nfs/dbraw/zinc/94/88/45/571948845.db2.gz MTEGFPONTDHDSP-KYJUHHDHSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1C ZINC000225593597 571949269 /nfs/dbraw/zinc/94/92/69/571949269.db2.gz RVEJBNDTUDDNBC-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225593496 571949334 /nfs/dbraw/zinc/94/93/34/571949334.db2.gz YSPFWJMMBIFTJR-WUFINQPMSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cccc1C ZINC000225593935 571949483 /nfs/dbraw/zinc/94/94/83/571949483.db2.gz CZSMPFPVTLCUQX-JDXGNMNLSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225593977 571949625 /nfs/dbraw/zinc/94/96/25/571949625.db2.gz BRYNLKNARSGZPN-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595173 571950407 /nfs/dbraw/zinc/95/04/07/571950407.db2.gz ASGWHKKVBJQVQY-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225595436 571950813 /nfs/dbraw/zinc/95/08/13/571950813.db2.gz BXBBAUYFSXRIKH-NSOVKSMOSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225603282 571956915 /nfs/dbraw/zinc/95/69/15/571956915.db2.gz QBMAVCZJAGVGCO-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225603420 571957220 /nfs/dbraw/zinc/95/72/20/571957220.db2.gz RBZPHSRTGHSIES-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C ZINC000225610774 571962935 /nfs/dbraw/zinc/96/29/35/571962935.db2.gz SDCZDUBFQYRYOP-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000225611101 571963295 /nfs/dbraw/zinc/96/32/95/571963295.db2.gz ZHJIZNXVYNTUBA-WUFINQPMSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F ZINC000225611490 571963305 /nfs/dbraw/zinc/96/33/05/571963305.db2.gz UASWHIVDWBEJAX-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1 ZINC000225611916 571963686 /nfs/dbraw/zinc/96/36/86/571963686.db2.gz MLAZZUAOTCUCDK-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccc1C ZINC000225613990 571965011 /nfs/dbraw/zinc/96/50/11/571965011.db2.gz YGQRIQMSLDDGOD-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225614401 571965540 /nfs/dbraw/zinc/96/55/40/571965540.db2.gz CTPUOGXLQPVSNY-FQLXRVMXSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cc(C)cc1C ZINC000225614558 571965562 /nfs/dbraw/zinc/96/55/62/571965562.db2.gz JRKBOLCVZPCNJC-VEEOACQBSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225624467 571975685 /nfs/dbraw/zinc/97/56/85/571975685.db2.gz IHMDLEOVBNOKFO-LOYHVIPDSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225626744 571978406 /nfs/dbraw/zinc/97/84/06/571978406.db2.gz BRWQDVIYSSTTBP-IHLOFXLRSA-N 0 0 574.150 6.466 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225628408 571980230 /nfs/dbraw/zinc/98/02/30/571980230.db2.gz AQHQVNHBACOADQ-NOCHOARKSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C ZINC000225628911 571980844 /nfs/dbraw/zinc/98/08/44/571980844.db2.gz OPLQJFUYZPGRBK-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225629382 571981393 /nfs/dbraw/zinc/98/13/93/571981393.db2.gz KQSBAXSXJAOECB-ROJLCIKYSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225629452 571981489 /nfs/dbraw/zinc/98/14/89/571981489.db2.gz KQSBAXSXJAOECB-ACHIHNKUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631300 571983253 /nfs/dbraw/zinc/98/32/53/571983253.db2.gz VKQQNLNDSAWFLX-KKLWWLSJSA-N 0 0 594.829 6.953 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225632278 571984171 /nfs/dbraw/zinc/98/41/71/571984171.db2.gz YROHZDSYLWOIFF-FIRIVFDPSA-N 0 0 572.178 7.069 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225632084 571984220 /nfs/dbraw/zinc/98/42/20/571984220.db2.gz OOUPGLHAJRMKCE-JSOSNVBQSA-N 0 0 567.715 5.836 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225632557 571984663 /nfs/dbraw/zinc/98/46/63/571984663.db2.gz OGWWFMIJQLFRJP-IOWSJCHKSA-N 0 0 598.729 6.024 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225633055 571984999 /nfs/dbraw/zinc/98/49/99/571984999.db2.gz KQCMNWZDVSIGQZ-ZQWAWDFXSA-N 0 0 565.787 6.978 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225641760 571992133 /nfs/dbraw/zinc/99/21/33/571992133.db2.gz MDWNESYMMGRSJA-SAIUNTKASA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225641631 571992143 /nfs/dbraw/zinc/99/21/43/571992143.db2.gz FSJCWEYTUWKNBS-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225641807 571992178 /nfs/dbraw/zinc/99/21/78/571992178.db2.gz MDWNESYMMGRSJA-LQJZCPKCSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225644508 571993662 /nfs/dbraw/zinc/99/36/62/571993662.db2.gz BRABNLITQIZKGL-VMPREFPWSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225646607 571995597 /nfs/dbraw/zinc/99/55/97/571995597.db2.gz MEQYPTLXUHDRQK-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225646785 571995649 /nfs/dbraw/zinc/99/56/49/571995649.db2.gz IDRMIFVEWGJAPD-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225647271 571995891 /nfs/dbraw/zinc/99/58/91/571995891.db2.gz PRNMYQYHFPNYDU-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1F ZINC000225647075 571995933 /nfs/dbraw/zinc/99/59/33/571995933.db2.gz NOKXRKKJXVTDQO-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000225647759 571996409 /nfs/dbraw/zinc/99/64/09/571996409.db2.gz WZHDMFIPWGONFM-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Cl ZINC000225647459 571996464 /nfs/dbraw/zinc/99/64/64/571996464.db2.gz YCDNOBZSLXWGLU-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648495 571997439 /nfs/dbraw/zinc/99/74/39/571997439.db2.gz CWJLRIDANAKEEV-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649036 571997757 /nfs/dbraw/zinc/99/77/57/571997757.db2.gz UOYFRZUUWDZKPN-JHOUSYSJSA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225649675 571998532 /nfs/dbraw/zinc/99/85/32/571998532.db2.gz RHPCMIWXOKASGA-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225650215 571998939 /nfs/dbraw/zinc/99/89/39/571998939.db2.gz OTDPRTCIDDGQGH-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650183 571999026 /nfs/dbraw/zinc/99/90/26/571999026.db2.gz VEBFDUMJBWBPFI-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225650853 571999375 /nfs/dbraw/zinc/99/93/75/571999375.db2.gz HALRQFYZASGGIL-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225665760 572009003 /nfs/dbraw/zinc/00/90/03/572009003.db2.gz VATKVUZBTFXCJE-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225666119 572009041 /nfs/dbraw/zinc/00/90/41/572009041.db2.gz GJHAXURRFJVXCN-FIRIVFDPSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225666083 572009076 /nfs/dbraw/zinc/00/90/76/572009076.db2.gz AQYDMTNNSCXERT-CONSDPRKSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225666611 572009435 /nfs/dbraw/zinc/00/94/35/572009435.db2.gz AKDGMHHBCYVFDA-VMPREFPWSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225666641 572009466 /nfs/dbraw/zinc/00/94/66/572009466.db2.gz AKDGMHHBCYVFDA-WDYNHAJCSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225667680 572009793 /nfs/dbraw/zinc/00/97/93/572009793.db2.gz JWRABYOWJQIADW-KYJUHHDHSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225667724 572009923 /nfs/dbraw/zinc/00/99/23/572009923.db2.gz SWAMANMHJGOQLS-LOYHVIPDSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000225669800 572011590 /nfs/dbraw/zinc/01/15/90/572011590.db2.gz PXCAEQZNWKKLBK-IHLOFXLRSA-N 0 0 600.701 5.416 40 10 KKCBRN C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225670554 572011910 /nfs/dbraw/zinc/01/19/10/572011910.db2.gz MRPDAPMQVLHZSI-DHIUTWEWSA-N 0 0 513.751 7.499 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)cc1 ZINC000225677662 572016706 /nfs/dbraw/zinc/01/67/06/572016706.db2.gz CFWUTMWXUKBVNJ-VMPREFPWSA-N 0 0 541.677 5.199 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225677913 572016769 /nfs/dbraw/zinc/01/67/69/572016769.db2.gz SMOWYRIELZNPBQ-KYJUHHDHSA-N 0 0 583.714 5.286 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225678092 572017139 /nfs/dbraw/zinc/01/71/39/572017139.db2.gz LVTDDLJFWDTLLH-IHLOFXLRSA-N 0 0 583.714 5.286 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225685570 572022058 /nfs/dbraw/zinc/02/20/58/572022058.db2.gz LPXJQVJXQFIEJK-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225686413 572022817 /nfs/dbraw/zinc/02/28/17/572022817.db2.gz VGNXPEAPWAJETI-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225687855 572023959 /nfs/dbraw/zinc/02/39/59/572023959.db2.gz VKSFVIJJMIOINQ-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cccc1C ZINC000225687977 572024016 /nfs/dbraw/zinc/02/40/16/572024016.db2.gz MWJXHEKMJLOIJF-SMCANUKXSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1C ZINC000225687689 572024052 /nfs/dbraw/zinc/02/40/52/572024052.db2.gz HUXGUKXMVWLJKT-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225688280 572024390 /nfs/dbraw/zinc/02/43/90/572024390.db2.gz QGFBANKMFCJBSB-BHYZAODMSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225688377 572024423 /nfs/dbraw/zinc/02/44/23/572024423.db2.gz XIAHVRUIOYDHOI-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)cc1 ZINC000225696428 572028794 /nfs/dbraw/zinc/02/87/94/572028794.db2.gz JCRHPHIELWACRW-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225696907 572029241 /nfs/dbraw/zinc/02/92/41/572029241.db2.gz JHGIDKPVFRQOTB-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1O ZINC000225701776 572032825 /nfs/dbraw/zinc/03/28/25/572032825.db2.gz HAKXQLFCHUJGNV-AJQTZOPKSA-N 0 0 596.156 7.003 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C ZINC000225704111 572034779 /nfs/dbraw/zinc/03/47/79/572034779.db2.gz LGPKGJIAQFLPPP-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000225704920 572035639 /nfs/dbraw/zinc/03/56/39/572035639.db2.gz KLOHAVXDVKFYSO-ROJLCIKYSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(F)c1 ZINC000225704865 572035646 /nfs/dbraw/zinc/03/56/46/572035646.db2.gz FVWNESBMQVWZAN-AJQTZOPKSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(O)cc1 ZINC000225705833 572036231 /nfs/dbraw/zinc/03/62/31/572036231.db2.gz MQTWUQBOEGNDIH-ROJLCIKYSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225706592 572036668 /nfs/dbraw/zinc/03/66/68/572036668.db2.gz HCVZKLGMMZBXPU-SZAHLOSFSA-N 0 0 588.781 6.710 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225706543 572036876 /nfs/dbraw/zinc/03/68/76/572036876.db2.gz HCVZKLGMMZBXPU-KKLWWLSJSA-N 0 0 588.781 6.710 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccc1C ZINC000225707148 572037506 /nfs/dbraw/zinc/03/75/06/572037506.db2.gz IKRLNZWXJNSCCK-SZAHLOSFSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccc1C ZINC000225707123 572037546 /nfs/dbraw/zinc/03/75/46/572037546.db2.gz IKRLNZWXJNSCCK-NOCHOARKSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cn1 ZINC000225708880 572038885 /nfs/dbraw/zinc/03/88/85/572038885.db2.gz GVLHPWTZSAMFSU-AJQTZOPKSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ncccc1C ZINC000225708793 572038947 /nfs/dbraw/zinc/03/89/47/572038947.db2.gz GFEYGCIYIADRRZ-CONSDPRKSA-N 0 0 560.727 6.347 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225715914 572044119 /nfs/dbraw/zinc/04/41/19/572044119.db2.gz DCQWSRGNRHJXHT-LQJZCPKCSA-N 0 0 603.748 6.430 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000225856930 572077993 /nfs/dbraw/zinc/07/79/93/572077993.db2.gz XZVAXELFQIYMPA-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000225861549 572078689 /nfs/dbraw/zinc/07/86/89/572078689.db2.gz PKYUFWTXBKUKCC-TTWQBBKJSA-N 0 0 519.667 5.404 40 10 KKCBRN CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225953775 572086331 /nfs/dbraw/zinc/08/63/31/572086331.db2.gz YEFXUXVYDJEMBG-UHFFFAOYSA-N 0 0 502.688 5.592 40 10 KKCBRN CCN(CC)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000299888620 572141624 /nfs/dbraw/zinc/14/16/24/572141624.db2.gz QRKGKRSGMAWUMO-UHFFFAOYSA-N 0 0 509.317 5.494 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408526295 572157212 /nfs/dbraw/zinc/15/72/12/572157212.db2.gz BNYCQXSVTNTRLQ-XLNRJJMWSA-N 0 0 586.494 5.385 40 10 KKCBRN CCCCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408527864 572162024 /nfs/dbraw/zinc/16/20/24/572162024.db2.gz CVHGEOQVSNQXOV-UHFFFAOYSA-N 0 0 519.395 6.211 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O ZINC000408528738 572165434 /nfs/dbraw/zinc/16/54/34/572165434.db2.gz HAPYACXSTDLCRJ-UYRXBGFRSA-N 0 0 503.089 6.187 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000408530470 572171809 /nfs/dbraw/zinc/17/18/09/572171809.db2.gz LXSGINYLGTUPOP-NSIKDUERSA-N 0 0 519.667 5.933 40 10 KKCBRN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)ccc1Cl ZINC000408531031 572174533 /nfs/dbraw/zinc/17/45/33/572174533.db2.gz KEVWWSGLVKUHIP-XYGWBWBKSA-N 0 0 504.030 6.313 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531417 572175433 /nfs/dbraw/zinc/17/54/33/572175433.db2.gz PUZWJIKRHHIKMI-NSIKDUERSA-N 0 0 582.319 5.508 40 10 KKCBRN CCN(CC)c1cc2c(cc1NC=C1C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C1C)n(C)c(=O)n2C ZINC000408533862 572184959 /nfs/dbraw/zinc/18/49/59/572184959.db2.gz PJBGDGGMDUDOMP-QINSGFPZSA-N 0 0 535.863 5.402 40 10 KKCBRN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(Br)cc3C)N=C2C)ccc1Cl ZINC000408535871 572189693 /nfs/dbraw/zinc/18/96/93/572189693.db2.gz UHLRCNOTDVLYSE-UYRXBGFRSA-N 0 0 504.812 6.086 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408537138 572193283 /nfs/dbraw/zinc/19/32/83/572193283.db2.gz ZGTZOKWFEZTILB-HMAPJEAMSA-N 0 0 618.351 6.348 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538549 572198475 /nfs/dbraw/zinc/19/84/75/572198475.db2.gz OPOWJEMJHBUXIM-UHFFFAOYSA-N 0 0 782.485 9.352 40 10 KKCBRN CCOc1cc(COc2ccc(C=C3SC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538797 572199658 /nfs/dbraw/zinc/19/96/58/572199658.db2.gz BUVKZZTVZTZERN-MFKUBSTISA-N 0 0 507.633 5.741 40 10 KKCBRN COc1cc(COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539336 572201373 /nfs/dbraw/zinc/20/13/73/572201373.db2.gz GUVFIWMCRRUPPJ-WSDLNYQXSA-N 0 0 621.372 6.867 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539684 572202850 /nfs/dbraw/zinc/20/28/50/572202850.db2.gz XZXXNBBIFLFDAP-UHFFFAOYSA-N 0 0 611.514 5.319 40 10 KKCBRN CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408540313 572205387 /nfs/dbraw/zinc/20/53/87/572205387.db2.gz PWOLYIACUWZNGV-BRPDVVIDSA-N 0 0 553.058 7.703 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541897 572209765 /nfs/dbraw/zinc/20/97/65/572209765.db2.gz ILHZPXSLCKOKJQ-DIBXZPPDSA-N 0 0 544.698 6.306 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542875 572211071 /nfs/dbraw/zinc/21/10/71/572211071.db2.gz LLWJJYSXVMSHNF-UHFFFAOYSA-N 0 0 631.754 6.649 40 10 KKCBRN COC(=O)c1cccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408543625 572213314 /nfs/dbraw/zinc/21/33/14/572213314.db2.gz PLYBMJXLZMKMAE-UHFFFAOYSA-N 0 0 571.658 6.225 40 10 KKCBRN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408554684 572242159 /nfs/dbraw/zinc/24/21/59/572242159.db2.gz SRSDOKWUGJRWRF-JLPGSUDCSA-N 0 0 576.867 7.499 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408571322 572257071 /nfs/dbraw/zinc/25/70/71/572257071.db2.gz BAAVSDCZPNBNDT-UCQKPKSFSA-N 0 0 603.947 6.925 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c1C ZINC000408571626 572257236 /nfs/dbraw/zinc/25/72/36/572257236.db2.gz BYRNJOFCROLMFW-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408571694 572257247 /nfs/dbraw/zinc/25/72/47/572257247.db2.gz CNNDIMLOLXPPOQ-ONUIUJJFSA-N 0 0 611.583 6.618 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408571681 572257311 /nfs/dbraw/zinc/25/73/11/572257311.db2.gz CJZXYWCQYVFJGS-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408571822 572257350 /nfs/dbraw/zinc/25/73/50/572257350.db2.gz CRADMEVEXYLHPI-OYKKKHCWSA-N 0 0 615.546 7.027 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000408571935 572257458 /nfs/dbraw/zinc/25/74/58/572257458.db2.gz DJLYUDVUZZTOCB-BKUYFWCQSA-N 0 0 529.470 6.412 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)SC2=S)cc1 ZINC000408572229 572257660 /nfs/dbraw/zinc/25/76/60/572257660.db2.gz FSYZBRVBIDXZLO-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408572163 572257703 /nfs/dbraw/zinc/25/77/03/572257703.db2.gz FLYFTAZWHIDVAT-OYKKKHCWSA-N 0 0 572.630 6.523 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000408572627 572257996 /nfs/dbraw/zinc/25/79/96/572257996.db2.gz HLGVSLZQWDVNPN-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000408572775 572258144 /nfs/dbraw/zinc/25/81/44/572258144.db2.gz IDPWTWDGBYVSJH-UCQKPKSFSA-N 0 0 509.052 6.067 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccccc1Cl ZINC000408573206 572258629 /nfs/dbraw/zinc/25/86/29/572258629.db2.gz JADVMVGWXGKVHX-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000408573270 572258726 /nfs/dbraw/zinc/25/87/26/572258726.db2.gz JNIMXKIPGWZCNG-UCQKPKSFSA-N 0 0 553.503 6.176 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408574252 572259417 /nfs/dbraw/zinc/25/94/17/572259417.db2.gz LHTNTTSIOMFHTI-QRVIBDJDSA-N 0 0 617.974 7.151 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408574268 572259468 /nfs/dbraw/zinc/25/94/68/572259468.db2.gz LJIRUWDJYGCTLC-UQQQWYQISA-N 0 0 597.556 6.309 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000408574704 572259818 /nfs/dbraw/zinc/25/98/18/572259818.db2.gz MIGUVSSCVXEWIL-BWAHOGKJSA-N 0 0 518.660 5.547 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1Cl ZINC000408574663 572259856 /nfs/dbraw/zinc/25/98/56/572259856.db2.gz MFWRTHYQCUXAGI-QRVIBDJDSA-N 0 0 509.052 6.067 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)cc1 ZINC000408574843 572260021 /nfs/dbraw/zinc/26/00/21/572260021.db2.gz DYZZKSGKUWAHEB-QRVIBDJDSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408574949 572260085 /nfs/dbraw/zinc/26/00/85/572260085.db2.gz NEJHEONDLHFQDL-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1 ZINC000408575585 572260566 /nfs/dbraw/zinc/26/05/66/572260566.db2.gz NCLMERPVIFZYPK-QRVIBDJDSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000408575990 572260965 /nfs/dbraw/zinc/26/09/65/572260965.db2.gz PDZQGAJVUWYDNK-MYYYXRDXSA-N 0 0 534.659 5.513 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000408575965 572260967 /nfs/dbraw/zinc/26/09/67/572260967.db2.gz PKDNVUJKUJBYFS-UCQKPKSFSA-N 0 0 633.973 6.933 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000408576192 572261082 /nfs/dbraw/zinc/26/10/82/572261082.db2.gz TUFYCBCAFPMLOS-IWIPYMOSSA-N 0 0 504.633 5.105 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408576588 572261312 /nfs/dbraw/zinc/26/13/12/572261312.db2.gz PYCXWFPNDOSTTB-HMAPJEAMSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408576634 572261336 /nfs/dbraw/zinc/26/13/36/572261336.db2.gz QFKKUNLQWOFDGS-QRVIBDJDSA-N 0 0 593.048 7.181 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)cc1 ZINC000408576547 572261358 /nfs/dbraw/zinc/26/13/58/572261358.db2.gz WMAQFPPRLPTVBL-QRVIBDJDSA-N 0 0 509.052 6.380 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000408577190 572261760 /nfs/dbraw/zinc/26/17/60/572261760.db2.gz RUDAMSWPZBNSOZ-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000408577177 572261754 /nfs/dbraw/zinc/26/17/54/572261754.db2.gz RPFSDIMKNIXKFK-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000408577116 572261759 /nfs/dbraw/zinc/26/17/59/572261759.db2.gz RHZBYYDQPQYWIC-BKUYFWCQSA-N 0 0 529.470 6.412 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000408577163 572261770 /nfs/dbraw/zinc/26/17/70/572261770.db2.gz RMLQJSIARRTXKK-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000408577275 572261866 /nfs/dbraw/zinc/26/18/66/572261866.db2.gz SEGQWFJVYYCHJQ-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000408577911 572262437 /nfs/dbraw/zinc/26/24/37/572262437.db2.gz VQUJLEFTOWMVRU-ULJHMMPZSA-N 0 0 504.633 5.157 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000408578162 572262809 /nfs/dbraw/zinc/26/28/09/572262809.db2.gz WINMKUYDLCKJHT-ROTLSHHCSA-N 0 0 603.549 7.214 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000408601984 572273132 /nfs/dbraw/zinc/27/31/32/572273132.db2.gz MRMWMTYRLKQAAN-MFKUBSTISA-N 0 0 506.023 7.617 40 10 KKCBRN Cc1ccccc1N=Nc1ccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000254601157 572303156 /nfs/dbraw/zinc/30/31/56/572303156.db2.gz MZIGKIGNTLXAOD-JMPSUXQRSA-N 0 0 560.938 7.531 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408661186 572308840 /nfs/dbraw/zinc/30/88/40/572308840.db2.gz BIHPLTVOXQMFFS-UHFFFAOYSA-N 0 0 527.533 5.831 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408662615 572309746 /nfs/dbraw/zinc/30/97/46/572309746.db2.gz FWRLLVZIJRTNLX-UHFFFAOYSA-N 0 0 582.653 6.880 40 10 KKCBRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408663237 572309928 /nfs/dbraw/zinc/30/99/28/572309928.db2.gz HEBPOZVDCYZJPD-UHFFFAOYSA-N 0 0 510.590 6.485 40 10 KKCBRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408666115 572311849 /nfs/dbraw/zinc/31/18/49/572311849.db2.gz NZJQHVDCSFDJNS-UHFFFAOYSA-N 0 0 554.599 6.100 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408670356 572314709 /nfs/dbraw/zinc/31/47/09/572314709.db2.gz ZMTDLODQSXHBSB-UHFFFAOYSA-N 0 0 551.426 7.230 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000260717949 572323570 /nfs/dbraw/zinc/32/35/70/572323570.db2.gz QIRRGBOXQYULPD-FCHUYYIVSA-N 0 0 507.752 5.179 40 10 KKCBRN CCc1ccc(NN=C(Sc2nnc(COc3ccc(Cl)cc3Cl)o2)C(=O)c2ccc(F)cc2)cc1 ZINC000097947537 1069690069 /nfs/dbraw/zinc/69/00/69/1069690069.db2.gz QQSGBQSFBSKBAI-LCEPBYFESA-N 0 0 545.423 8.417 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1Cl ZINC000102681383 1069706066 /nfs/dbraw/zinc/70/60/66/1069706066.db2.gz KGRIGMSAQUPIFN-XQNSMLJCSA-N 0 0 528.099 6.219 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000103796199 1069714210 /nfs/dbraw/zinc/71/42/10/1069714210.db2.gz WZGOSVNNYMJUTB-MNKCWKNRSA-N 0 0 514.350 7.712 40 10 KKCBRN COC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408837463 1069745340 /nfs/dbraw/zinc/74/53/40/1069745340.db2.gz GCJJTXYIAJMYIE-RNHFSVANSA-N 0 0 520.423 6.650 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408867651 1069748220 /nfs/dbraw/zinc/74/82/20/1069748220.db2.gz LCHFUYGXKOWZFD-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408978436 1069765557 /nfs/dbraw/zinc/76/55/57/1069765557.db2.gz MATOIYNICUQFKQ-FVUNBJOLSA-N 0 0 639.177 5.952 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409095249 1069777934 /nfs/dbraw/zinc/77/79/34/1069777934.db2.gz BOKDTKZUPXMSOT-PQNXSAFSSA-N 0 0 612.796 5.145 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409133017 1069784761 /nfs/dbraw/zinc/78/47/61/1069784761.db2.gz LYATWIXFWGNHNG-JJFYIABZSA-N 0 0 509.450 6.447 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccc(C)cc4)c4ccccc34)SC2=S)cc1 ZINC000409134608 1069786089 /nfs/dbraw/zinc/78/60/89/1069786089.db2.gz SLKOURHMSHCXKQ-VEILYXNESA-N 0 0 528.699 6.829 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)S1)c1ccccc1 ZINC000409139582 1069790204 /nfs/dbraw/zinc/79/02/04/1069790204.db2.gz BEUDPBJBVDSXKP-NDENLUEZSA-N 0 0 609.272 6.577 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409138161 1069789155 /nfs/dbraw/zinc/78/91/55/1069789155.db2.gz YMBRMUKDXFOVHN-NHDPSOOVSA-N 0 0 639.298 6.586 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409163184 1069792557 /nfs/dbraw/zinc/79/25/57/1069792557.db2.gz NDSBAKNALBUIQR-UUYOSTAYSA-N 0 0 513.541 6.096 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182377 1069796841 /nfs/dbraw/zinc/79/68/41/1069796841.db2.gz KUHBLDPZXOMLCU-QICITKFESA-N 0 0 672.601 6.557 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409220660 1069801397 /nfs/dbraw/zinc/80/13/97/1069801397.db2.gz CYXFJBSASSKJLJ-CFRMEGHHSA-N 0 0 573.523 6.493 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335765 1069805178 /nfs/dbraw/zinc/80/51/78/1069805178.db2.gz ZHTWUNXIHGFDGL-UCQKPKSFSA-N 0 0 632.501 6.891 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409338187 1069805413 /nfs/dbraw/zinc/80/54/13/1069805413.db2.gz FLZBKQQQWQKHKV-DJKKODMXSA-N 0 0 578.853 6.612 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000409346070 1069805926 /nfs/dbraw/zinc/80/59/26/1069805926.db2.gz MYVPMWCBUADXPP-FMCGGJTJSA-N 0 0 513.446 7.541 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)c1 ZINC000408768066 1069872642 /nfs/dbraw/zinc/87/26/42/1069872642.db2.gz SQYYWGBRGNTVPJ-OIUASMPBSA-N 0 0 643.596 6.597 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408770428 1069879745 /nfs/dbraw/zinc/87/97/45/1069879745.db2.gz XJVFNCDRJAYIQM-YPCWPJDZSA-N 0 0 642.608 7.050 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408770555 1069880478 /nfs/dbraw/zinc/88/04/78/1069880478.db2.gz YZHGZPGAUNQBEO-OKMHPQNISA-N 0 0 644.997 7.281 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769741 1069877589 /nfs/dbraw/zinc/87/75/89/1069877589.db2.gz OHPASLNAYYNFSK-IHWJNSMWSA-N 0 0 776.491 5.899 40 10 KKCBRN CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000408773924 1069888616 /nfs/dbraw/zinc/88/86/16/1069888616.db2.gz UEUWCWFIUICWCP-BRPDVVIDSA-N 0 0 550.680 7.002 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)S2)cc1 ZINC000408779919 1069902388 /nfs/dbraw/zinc/90/23/88/1069902388.db2.gz NOSHUHKJGUMNRJ-TZUCAZQYSA-N 0 0 585.642 6.865 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408781797 1069916942 /nfs/dbraw/zinc/91/69/42/1069916942.db2.gz DSXFGMZUGYXJSQ-QJOMJCCJSA-N 0 0 516.981 5.625 40 10 KKCBRN O=C1C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408789050 1069917795 /nfs/dbraw/zinc/91/77/95/1069917795.db2.gz IURZOJYJRGBPJV-UHFFFAOYSA-N 0 0 594.161 7.835 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408789863 1069918367 /nfs/dbraw/zinc/91/83/67/1069918367.db2.gz OAZYGXCHZRSESS-PKAZHMFMSA-N 0 0 561.034 6.024 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408786988 1069922917 /nfs/dbraw/zinc/92/29/17/1069922917.db2.gz PJKAKQQPBFBEPC-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(C(C)=O)cc5)c4C)c(=O)n32)cc1 ZINC000408825124 1070012093 /nfs/dbraw/zinc/01/20/93/1070012093.db2.gz AHPRYPSDSHUVFP-NQUBGTRZSA-N 0 0 644.797 6.109 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408830886 1070019064 /nfs/dbraw/zinc/01/90/64/1070019064.db2.gz TXIIATCMZFJLLQ-GOHWNWGWSA-N 0 0 603.340 8.347 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408834445 1070033386 /nfs/dbraw/zinc/03/33/86/1070033386.db2.gz UZDLJXXNTFQUFE-DDIUQFJASA-N 0 0 650.628 6.530 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5C)c4C)c(=O)n32)cc1 ZINC000408834695 1070034765 /nfs/dbraw/zinc/03/47/65/1070034765.db2.gz UZHOSNNZVFAQGU-NQUBGTRZSA-N 0 0 630.814 6.524 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408835101 1070036464 /nfs/dbraw/zinc/03/64/64/1070036464.db2.gz XYFCKBXZMSWMNU-HRIDGTDGSA-N 0 0 539.701 5.131 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408835873 1070039233 /nfs/dbraw/zinc/03/92/33/1070039233.db2.gz ZODGJQUMKAUUJC-SJXDCSIJSA-N 0 0 695.623 5.906 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408835869 1070039307 /nfs/dbraw/zinc/03/93/07/1070039307.db2.gz ZODGJQUMKAUUJC-OBDCIHEFSA-N 0 0 695.623 5.906 40 10 KKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)N2 ZINC000408840361 1070042716 /nfs/dbraw/zinc/04/27/16/1070042716.db2.gz FHQGPOYIZISFAH-JVAFGIKQSA-N 0 0 603.340 8.347 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 ZINC000408840959 1070044094 /nfs/dbraw/zinc/04/40/94/1070044094.db2.gz GSVIMFSLXUFULE-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000408842245 1070045863 /nfs/dbraw/zinc/04/58/63/1070045863.db2.gz JMZGUNNRVLDODZ-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN Cc1c(Br)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000408851910 1070059018 /nfs/dbraw/zinc/05/90/18/1070059018.db2.gz HFSBZMSEQYSFJY-UHFFFAOYSA-N 0 0 556.485 6.605 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408854067 1070071816 /nfs/dbraw/zinc/07/18/16/1070071816.db2.gz WXQYVSNMRHGKCO-PKYOQBLNSA-N 0 0 590.145 5.646 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408860914 1070077680 /nfs/dbraw/zinc/07/76/80/1070077680.db2.gz IFGRVSGQLHKSTO-RNHFSVANSA-N 0 0 531.277 8.170 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408867089 1070086805 /nfs/dbraw/zinc/08/68/05/1070086805.db2.gz ISGYWIHLZMEXOD-UHFFFAOYSA-N 0 0 662.334 7.383 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408867888 1070088257 /nfs/dbraw/zinc/08/82/57/1070088257.db2.gz KJWMWYPUZVHSPJ-UHFFFAOYSA-N 0 0 617.883 7.274 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408868968 1070090611 /nfs/dbraw/zinc/09/06/11/1070090611.db2.gz OMEHHYDGGGNMOL-OCSSWDANSA-N 0 0 632.138 5.900 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408868965 1070090673 /nfs/dbraw/zinc/09/06/73/1070090673.db2.gz QTWOKUGHSIRBTL-UHFFFAOYSA-N 0 0 581.137 7.695 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408870588 1070093786 /nfs/dbraw/zinc/09/37/86/1070093786.db2.gz WPOVNVOUPOZHBO-UHFFFAOYSA-N 0 0 573.045 6.815 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408869546 1070091338 /nfs/dbraw/zinc/09/13/38/1070091338.db2.gz SBEXLQPMQNVWPT-UHFFFAOYSA-N 0 0 631.910 7.664 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408874906 1070091960 /nfs/dbraw/zinc/09/19/60/1070091960.db2.gz FCYQQHPMIYXTAG-UHFFFAOYSA-N 0 0 619.142 8.219 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000408872739 1070097904 /nfs/dbraw/zinc/09/79/04/1070097904.db2.gz PLCDVUXDNGFHGI-MSXFZWOLSA-N 0 0 557.594 6.413 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000408873656 1070100005 /nfs/dbraw/zinc/10/00/05/1070100005.db2.gz VWACVYBMWXQFEN-UUYOSTAYSA-N 0 0 529.540 5.797 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408874387 1070101613 /nfs/dbraw/zinc/10/16/13/1070101613.db2.gz AWDRWWBZVGSCEA-UHFFFAOYSA-N 0 0 593.919 7.974 40 10 KKCBRN O=C1C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408874765 1070102376 /nfs/dbraw/zinc/10/23/76/1070102376.db2.gz AJVXSXATQKOQFC-UHFFFAOYSA-N 0 0 575.089 7.821 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408878318 1070114355 /nfs/dbraw/zinc/11/43/55/1070114355.db2.gz AGEJWVFVHCDWII-ZVHZXABRSA-N 0 0 533.422 5.928 40 10 KKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408878375 1070114458 /nfs/dbraw/zinc/11/44/58/1070114458.db2.gz AETYPHIDPPDVRZ-WYEJZRMESA-N 0 0 526.858 7.525 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408877498 1070111793 /nfs/dbraw/zinc/11/17/93/1070111793.db2.gz WHYZABDBEUIKKZ-UHFFFAOYSA-N 0 0 596.421 6.061 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408878125 1070113470 /nfs/dbraw/zinc/11/34/70/1070113470.db2.gz ZZGHPBQCSQEABV-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408883759 1070117689 /nfs/dbraw/zinc/11/76/89/1070117689.db2.gz VXTJVLPFLRCKBF-ITYLOYPMSA-N 0 0 502.611 5.090 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408881265 1070123508 /nfs/dbraw/zinc/12/35/08/1070123508.db2.gz KKQLFSKPXMRONH-AUWJEWJLSA-N 0 0 519.667 5.933 40 10 KKCBRN Cc1ccc2ccccc2c1COc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408881362 1070124265 /nfs/dbraw/zinc/12/42/65/1070124265.db2.gz LAFHWEUSHAOGSE-UHFFFAOYSA-N 0 0 604.731 8.629 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408883039 1070128702 /nfs/dbraw/zinc/12/87/02/1070128702.db2.gz SSPNFDWJYNHOPN-UHFFFAOYSA-N 0 0 553.958 6.411 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408883007 1070127768 /nfs/dbraw/zinc/12/77/68/1070127768.db2.gz SMSHTNHQWIPBPF-MTDXEUNCSA-N 0 0 635.113 6.649 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408889699 1070131681 /nfs/dbraw/zinc/13/16/81/1070131681.db2.gz FXHBHKMVJPLVQV-UHFFFAOYSA-N 0 0 571.402 6.751 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408890203 1070132588 /nfs/dbraw/zinc/13/25/88/1070132588.db2.gz PPQTZCXPEGQKBU-UHFFFAOYSA-N 0 0 617.477 6.109 40 10 KKCBRN Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408891020 1070134009 /nfs/dbraw/zinc/13/40/09/1070134009.db2.gz KASPFHVMIXVOPZ-UHFFFAOYSA-N 0 0 552.630 7.619 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408896482 1070150181 /nfs/dbraw/zinc/15/01/81/1070150181.db2.gz NUMBEUIMXUPCQM-UHFFFAOYSA-N 0 0 658.492 7.079 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408900153 1070161791 /nfs/dbraw/zinc/16/17/91/1070161791.db2.gz SZFBYCRAZOYYKR-UHFFFAOYSA-N 0 0 678.523 7.156 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408901273 1070167773 /nfs/dbraw/zinc/16/77/73/1070167773.db2.gz CWMLYSDXTJEPBR-HYARGMPZSA-N 0 0 634.492 6.252 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408901861 1070169252 /nfs/dbraw/zinc/16/92/52/1070169252.db2.gz IAFXRBTVSOTCDW-WSDLNYQXSA-N 0 0 530.440 6.582 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)SC(=S)N1c1ccccc1 ZINC000408902224 1070182723 /nfs/dbraw/zinc/18/27/23/1070182723.db2.gz MFMHCZZGZLAIQJ-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408902750 1070184081 /nfs/dbraw/zinc/18/40/81/1070184081.db2.gz QYNPLEQZDADTRT-FYJGNVAPSA-N 0 0 622.347 7.347 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408902935 1070184956 /nfs/dbraw/zinc/18/49/56/1070184956.db2.gz SLDQCLJZNFERRW-HYARGMPZSA-N 0 0 607.922 7.328 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408903572 1070187832 /nfs/dbraw/zinc/18/78/32/1070187832.db2.gz ZWQCCAQKIRRDCO-CIAFOILYSA-N 0 0 536.889 7.640 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000408903324 1070186358 /nfs/dbraw/zinc/18/63/58/1070186358.db2.gz XGRUKOJVDSPHQN-YBFXNURJSA-N 0 0 591.218 6.578 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408928453 1070251297 /nfs/dbraw/zinc/25/12/97/1070251297.db2.gz BLMIFJPWTVGBAN-WPWMEQJKSA-N 0 0 530.694 6.232 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408929270 1070255299 /nfs/dbraw/zinc/25/52/99/1070255299.db2.gz TVDWCIUHGAHDFF-ZVHZXABRSA-N 0 0 545.393 5.762 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408933410 1070265924 /nfs/dbraw/zinc/26/59/24/1070265924.db2.gz JKCLPDSPPPLUNR-JJFYIABZSA-N 0 0 514.434 6.384 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408938523 1070295675 /nfs/dbraw/zinc/29/56/75/1070295675.db2.gz KTLRPHIALFXUTG-CIAFOILYSA-N 0 0 586.813 5.974 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408964129 1070329567 /nfs/dbraw/zinc/32/95/67/1070329567.db2.gz BURQAWDVGKIDMW-UCQKPKSFSA-N 0 0 539.451 6.270 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)c1 ZINC000408967386 1070332672 /nfs/dbraw/zinc/33/26/72/1070332672.db2.gz QGYKTFBXWIAJNL-UHFFFAOYSA-N 0 0 549.652 6.019 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408978649 1070343322 /nfs/dbraw/zinc/34/33/22/1070343322.db2.gz AEWFRKDRKHLMAI-KEPJHFNWSA-N 0 0 634.596 5.594 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408986119 1070347690 /nfs/dbraw/zinc/34/76/90/1070347690.db2.gz LRFCJYLQQIRXHE-GARKAJJMSA-N 0 0 573.718 5.652 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C5CCCCC5)cc4)C3=O)o2)cc1 ZINC000408986575 1070348540 /nfs/dbraw/zinc/34/85/40/1070348540.db2.gz QQPHSQQVCHZEMC-QUPMIFSKSA-N 0 0 529.636 8.252 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3C)C2=O)cc1 ZINC000408987851 1070351073 /nfs/dbraw/zinc/35/10/73/1070351073.db2.gz ZDJCUHBPNARPOU-HMMYKYKNSA-N 0 0 541.816 7.123 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408989286 1070362583 /nfs/dbraw/zinc/36/25/83/1070362583.db2.gz UBXSZMMSTTXIQE-GARKAJJMSA-N 0 0 589.717 5.352 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408993835 1070369214 /nfs/dbraw/zinc/36/92/14/1070369214.db2.gz XDEZYWITWDQJEG-UHFFFAOYSA-N 0 0 661.769 6.704 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000409008215 1070379967 /nfs/dbraw/zinc/37/99/67/1070379967.db2.gz WPIZQZSDMQTUCL-YVLHZVERSA-N 0 0 509.403 5.166 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009300 1070386797 /nfs/dbraw/zinc/38/67/97/1070386797.db2.gz CYTWHAIYUKWGJN-STBIYBPSSA-N 0 0 716.437 7.617 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409009976 1070387642 /nfs/dbraw/zinc/38/76/42/1070387642.db2.gz CUDDQNOWVUGANZ-QRVIBDJDSA-N 0 0 509.433 6.582 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012798 1070390671 /nfs/dbraw/zinc/39/06/71/1070390671.db2.gz KVHZJLWMVDIGAV-FYJGNVAPSA-N 0 0 539.013 5.228 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010302 1070388209 /nfs/dbraw/zinc/38/82/09/1070388209.db2.gz BXGYZDAZLBOBDL-OJLHXUGZSA-N 0 0 680.006 6.483 40 10 KKCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010903 1070388486 /nfs/dbraw/zinc/38/84/86/1070388486.db2.gz GFJYBFHSHHDMNL-OVVQPSECSA-N 0 0 599.105 5.033 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409018026 1070392264 /nfs/dbraw/zinc/39/22/64/1070392264.db2.gz POUKNVASXJAGSD-MJASDKGPSA-N 0 0 617.727 5.380 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n21 ZINC000409018016 1070392463 /nfs/dbraw/zinc/39/24/63/1070392463.db2.gz PIIGCLNYJOHQRY-QUNTYYFUSA-N 0 0 634.596 5.674 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014907 1070394664 /nfs/dbraw/zinc/39/46/64/1070394664.db2.gz QFPZPLJITSPMRK-UXHLAJHPSA-N 0 0 681.594 7.172 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409016240 1070396197 /nfs/dbraw/zinc/39/61/97/1070396197.db2.gz GBFRJPCSZSEZBC-XIHDXPBISA-N 0 0 650.595 5.294 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409018773 1070396500 /nfs/dbraw/zinc/39/65/00/1070396500.db2.gz UNEPFAICMDHXSS-XNMXCUJWSA-N 0 0 639.818 6.204 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CC)C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409016961 1070397279 /nfs/dbraw/zinc/39/72/79/1070397279.db2.gz UMQPPCXQDAVCAL-LFVJCYFKSA-N 0 0 508.043 5.710 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409017212 1070397636 /nfs/dbraw/zinc/39/76/36/1070397636.db2.gz XUKAFFFLKDKDHJ-HBMWKUFKSA-N 0 0 632.786 5.418 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409022594 1070400025 /nfs/dbraw/zinc/40/00/25/1070400025.db2.gz BYJPPZJFBWQCAU-FUZBLHKMSA-N 0 0 631.798 6.439 40 10 KKCBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n21 ZINC000409018789 1070402257 /nfs/dbraw/zinc/40/22/57/1070402257.db2.gz UWVUWZIRJNYELG-FJNIOPPGSA-N 0 0 619.187 5.322 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409018798 1070402308 /nfs/dbraw/zinc/40/23/08/1070402308.db2.gz UZFZFXLBALCYPN-VZVSMJQGSA-N 0 0 675.807 5.837 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020363 1070404500 /nfs/dbraw/zinc/40/45/00/1070404500.db2.gz OMPDVIZEVSGXNR-UXHLAJHPSA-N 0 0 679.622 7.780 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000409033158 1070420824 /nfs/dbraw/zinc/42/08/24/1070420824.db2.gz NFKFNFSLNBSMBL-LICLKQGHSA-N 0 0 584.282 6.372 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033096 1070421524 /nfs/dbraw/zinc/42/15/24/1070421524.db2.gz KZORTIJSVPDKKB-ISZRBDKASA-N 0 0 628.795 5.068 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000409034234 1070426035 /nfs/dbraw/zinc/42/60/35/1070426035.db2.gz MWURDOHKOVAEFZ-CXUHLZMHSA-N 0 0 551.309 6.838 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038198 1070427506 /nfs/dbraw/zinc/42/75/06/1070427506.db2.gz ZUHSKUMISCPIPB-ZSXMQSLNSA-N 0 0 635.786 6.155 40 10 KKCBRN COc1c(I)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409039451 1070430590 /nfs/dbraw/zinc/43/05/90/1070430590.db2.gz GPOAPBSODWPQEC-WTKPLQERSA-N 0 0 587.080 5.564 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409040012 1070439127 /nfs/dbraw/zinc/43/91/27/1070439127.db2.gz FBYHTOMZLJNJKL-RGVLZGJSSA-N 0 0 560.673 7.250 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409040267 1070442371 /nfs/dbraw/zinc/44/23/71/1070442371.db2.gz YCIUGKANGCRCFG-JAIQZWGSSA-N 0 0 631.395 8.082 40 10 KKCBRN CCOC(=O)c1ccc(Cn2cc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c3ccccc32)cc1 ZINC000409040328 1070442376 /nfs/dbraw/zinc/44/23/76/1070442376.db2.gz YIIUPXHVBHDHKO-NDENLUEZSA-N 0 0 553.487 6.368 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041705 1070445304 /nfs/dbraw/zinc/44/53/04/1070445304.db2.gz VGZKLFDVPFRLPM-KFOJKGMOSA-N 0 0 627.763 5.204 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409046715 1070457365 /nfs/dbraw/zinc/45/73/65/1070457365.db2.gz LKNUOBMUTCJRBB-UHFFFAOYSA-N 0 0 596.039 6.340 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccccc1Cl ZINC000409048866 1070462362 /nfs/dbraw/zinc/46/23/62/1070462362.db2.gz PHJGWVJNCLHEEU-AUWJEWJLSA-N 0 0 744.623 7.630 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409053539 1070463753 /nfs/dbraw/zinc/46/37/53/1070463753.db2.gz KSDKEHUQZQCKMS-XYGWBWBKSA-N 0 0 518.997 5.801 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409065763 1070481829 /nfs/dbraw/zinc/48/18/29/1070481829.db2.gz NBKDLUSCCFCATJ-UHFFFAOYSA-N 0 0 682.346 6.563 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409069095 1070486145 /nfs/dbraw/zinc/48/61/45/1070486145.db2.gz LGOLIIQIPDBAFL-PUUMDJTNSA-N 0 0 543.733 5.302 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079504 1070515751 /nfs/dbraw/zinc/51/57/51/1070515751.db2.gz BMJGNZKXGLVURN-XSTKMXAKSA-N 0 0 664.622 5.684 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079800 1070516336 /nfs/dbraw/zinc/51/63/36/1070516336.db2.gz LZJHDEUGFCICKA-ITYLOYPMSA-N 0 0 543.848 7.516 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)S1 ZINC000409092662 1070516758 /nfs/dbraw/zinc/51/67/58/1070516758.db2.gz VNODWNGTQFGCDV-FRKPEAEDSA-N 0 0 544.652 5.550 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409087258 1070520187 /nfs/dbraw/zinc/52/01/87/1070520187.db2.gz BWIFHZQAIALLKO-BRLDDBHUSA-N 0 0 520.470 5.417 40 10 KKCBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409091089 1070526043 /nfs/dbraw/zinc/52/60/43/1070526043.db2.gz TWMMVTQFMUULKN-LFVJCYFKSA-N 0 0 550.637 6.238 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409099140 1070532095 /nfs/dbraw/zinc/53/20/95/1070532095.db2.gz SGIAOYSGACQOHU-AFUMVMLFSA-N 0 0 583.504 6.424 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409101533 1070534287 /nfs/dbraw/zinc/53/42/87/1070534287.db2.gz YTYKWQGZJOOXDX-STBIYBPSSA-N 0 0 598.124 8.140 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000409131855 1070550766 /nfs/dbraw/zinc/55/07/66/1070550766.db2.gz PFBFURPDKQDPCY-UCQKPKSFSA-N 0 0 504.681 5.013 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4cc(C)c(Br)c(C)c4)c3C)SC2=S)cc1 ZINC000409122655 1070548101 /nfs/dbraw/zinc/54/81/01/1070548101.db2.gz AQPUYVMKIXBAOR-QRVIBDJDSA-N 0 0 541.536 6.883 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409123603 1070548760 /nfs/dbraw/zinc/54/87/60/1070548760.db2.gz HOUUQYGNOFDHCR-MYYYXRDXSA-N 0 0 565.537 5.572 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409123660 1070548767 /nfs/dbraw/zinc/54/87/67/1070548767.db2.gz DDIZWFMVGXMNBD-NTFVMDSBSA-N 0 0 604.109 7.726 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409132667 1070551491 /nfs/dbraw/zinc/55/14/91/1070551491.db2.gz QSVSDFOVYSPKNO-YSMPRRRNSA-N 0 0 562.072 8.048 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)SC2=S)cc1 ZINC000409124186 1070552043 /nfs/dbraw/zinc/55/20/43/1070552043.db2.gz JSGJBPLBDNXPOL-YSMPRRRNSA-N 0 0 548.690 6.013 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)S1)c1ccccc1 ZINC000409133678 1070558302 /nfs/dbraw/zinc/55/83/02/1070558302.db2.gz MGHKRXLJLHCOAL-NDENLUEZSA-N 0 0 501.366 6.112 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409141711 1070565034 /nfs/dbraw/zinc/56/50/34/1070565034.db2.gz IRLSMWXSOZFVOQ-NVIPHDJISA-N 0 0 577.953 6.516 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409143650 1070571731 /nfs/dbraw/zinc/57/17/31/1070571731.db2.gz HTFGMSPBQVLHHN-QFIPXVFZSA-N 0 0 550.902 6.792 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144363 1070572154 /nfs/dbraw/zinc/57/21/54/1070572154.db2.gz KYNQRMVAQJGUDM-MFKUBSTISA-N 0 0 534.703 5.593 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409144405 1070572294 /nfs/dbraw/zinc/57/22/94/1070572294.db2.gz YGCLRVAGDILHIH-OEAKJJBVSA-N 0 0 552.077 5.521 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1 ZINC000409146073 1070573782 /nfs/dbraw/zinc/57/37/82/1070573782.db2.gz QTWKBSGCSVMUGD-AFUMVMLFSA-N 0 0 564.729 6.352 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409160526 1070575896 /nfs/dbraw/zinc/57/58/96/1070575896.db2.gz QYLXSOHDNVOUEY-OWOAZTCBSA-N 0 0 603.340 8.265 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC ZINC000409162596 1070581458 /nfs/dbraw/zinc/58/14/58/1070581458.db2.gz XMFJFDYCBWRUMA-NHDPSOOVSA-N 0 0 579.582 6.085 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409168958 1070586792 /nfs/dbraw/zinc/58/67/92/1070586792.db2.gz OIEOHQLMCTVOPE-GLDPYIMESA-N 0 0 507.384 6.771 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1ccccc1 ZINC000409175713 1070591072 /nfs/dbraw/zinc/59/10/72/1070591072.db2.gz AUZLWVAVGPTUGZ-KEBDBYFISA-N 0 0 673.235 7.644 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409176710 1070591479 /nfs/dbraw/zinc/59/14/79/1070591479.db2.gz VUOQKMRMTHLEOT-LSFURLLWSA-N 0 0 694.802 8.774 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177883 1070593026 /nfs/dbraw/zinc/59/30/26/1070593026.db2.gz JAOBOGBNJPMVRB-AWQFTUOYSA-N 0 0 531.930 6.494 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1ccccc1 ZINC000409177955 1070593052 /nfs/dbraw/zinc/59/30/52/1070593052.db2.gz HUSCKPWENCJBHK-UDWIEESQSA-N 0 0 638.790 6.990 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409179337 1070595139 /nfs/dbraw/zinc/59/51/39/1070595139.db2.gz MDGAGMNOFQQPHB-HAHDFKILSA-N 0 0 508.596 5.350 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409181779 1070599617 /nfs/dbraw/zinc/59/96/17/1070599617.db2.gz DSUUHUOESRCTHL-VULFUBBASA-N 0 0 536.049 7.626 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184625 1070603926 /nfs/dbraw/zinc/60/39/26/1070603926.db2.gz HOUYVATWPTUXFZ-BTVRMGTGSA-N 0 0 732.700 8.421 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185267 1070604940 /nfs/dbraw/zinc/60/49/40/1070604940.db2.gz KQSNCRXQDKGMII-IMEZSSIGSA-N 0 0 669.645 6.908 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182072 1070600142 /nfs/dbraw/zinc/60/01/42/1070600142.db2.gz HYADFZKHSHLTPW-HGTXDYBSSA-N 0 0 736.265 8.460 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185950 1070605400 /nfs/dbraw/zinc/60/54/00/1070605400.db2.gz TUVRCXCKBJJPNB-GWMWMCKKSA-N 0 0 698.845 7.274 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185604 1070605417 /nfs/dbraw/zinc/60/54/17/1070605417.db2.gz NFFXDMTXXASVSO-PHBIEMHDSA-N 0 0 809.726 8.272 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183749 1070603125 /nfs/dbraw/zinc/60/31/25/1070603125.db2.gz DHCYDNYVLQNDBR-UVHQGITOSA-N 0 0 721.839 7.991 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186050 1070606269 /nfs/dbraw/zinc/60/62/69/1070606269.db2.gz VVKKKZHNNHNGIR-BPCNDPGCSA-N 0 0 690.869 8.391 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186053 1070606333 /nfs/dbraw/zinc/60/63/33/1070606333.db2.gz VYJMJBUGSZWRBM-IOSUBWPCSA-N 0 0 919.623 9.176 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409193076 1070611346 /nfs/dbraw/zinc/61/13/46/1070611346.db2.gz BDWBIIRJNWBZPX-RGVLZGJSSA-N 0 0 524.536 5.495 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409193962 1070612880 /nfs/dbraw/zinc/61/28/80/1070612880.db2.gz IZZIWGHFDNGNDA-DHRITJCHSA-N 0 0 560.572 7.374 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409196530 1070616593 /nfs/dbraw/zinc/61/65/93/1070616593.db2.gz OWJKVKULJNGDAK-IWIPYMOSSA-N 0 0 617.530 6.992 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409206665 1070621610 /nfs/dbraw/zinc/62/16/10/1070621610.db2.gz VJVFVFDFCQOQIL-VCHYOVAHSA-N 0 0 504.996 5.416 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409207181 1070622898 /nfs/dbraw/zinc/62/28/98/1070622898.db2.gz QBXHHTVIRDXPMZ-UUYOSTAYSA-N 0 0 591.346 7.205 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409205343 1070631830 /nfs/dbraw/zinc/63/18/30/1070631830.db2.gz BLZSNYUMYUNOAY-UFFVCSGVSA-N 0 0 598.371 7.299 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409212067 1070635908 /nfs/dbraw/zinc/63/59/08/1070635908.db2.gz PQNYRYNFTREGCO-ZVHZXABRSA-N 0 0 516.960 5.322 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c(C)c1 ZINC000409229002 1070646388 /nfs/dbraw/zinc/64/63/88/1070646388.db2.gz IIJYVXNDFHNSMM-QRVIBDJDSA-N 0 0 556.631 7.054 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409240679 1070655492 /nfs/dbraw/zinc/65/54/92/1070655492.db2.gz UVUCDQGWKWBKKJ-UTYYKHSJSA-N 0 0 552.596 5.112 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C2=O)cc1 ZINC000409239545 1070655580 /nfs/dbraw/zinc/65/55/80/1070655580.db2.gz HFXYBBXYWCAAIL-STBIYBPSSA-N 0 0 585.657 6.496 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)cc1C ZINC000409234757 1070660631 /nfs/dbraw/zinc/66/06/31/1070660631.db2.gz XZZXGNUBDPDRMY-OYKKKHCWSA-N 0 0 581.557 7.106 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409246961 1070663452 /nfs/dbraw/zinc/66/34/52/1070663452.db2.gz LTGRJINRAHDFTP-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000409245662 1070662804 /nfs/dbraw/zinc/66/28/04/1070662804.db2.gz XFCGZKBQZQGTTH-COVVZGLNSA-N 0 0 561.523 5.464 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409250461 1070667080 /nfs/dbraw/zinc/66/70/80/1070667080.db2.gz MFEMDSPORVIVGI-YVNNLAQVSA-N 0 0 545.469 6.425 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409241283 1070668544 /nfs/dbraw/zinc/66/85/44/1070668544.db2.gz SRZBGRNWGRNXLW-WGOQTCKBSA-N 0 0 510.569 5.231 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409242266 1070669957 /nfs/dbraw/zinc/66/99/57/1070669957.db2.gz QFWJHUWHJYSUJB-DBXOKZBGSA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409243853 1070672036 /nfs/dbraw/zinc/67/20/36/1070672036.db2.gz VHLBCCMODUWXOG-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409243347 1070671275 /nfs/dbraw/zinc/67/12/75/1070671275.db2.gz XXGKHSWYTYITTR-JMIUGGIZSA-N 0 0 584.333 7.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409254704 1070672824 /nfs/dbraw/zinc/67/28/24/1070672824.db2.gz YCGWHCIILIFMPE-ZPZBNPFISA-N 0 0 526.680 5.100 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409254974 1070673324 /nfs/dbraw/zinc/67/33/24/1070673324.db2.gz YSBKJXZXQHYBLU-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409256191 1070675496 /nfs/dbraw/zinc/67/54/96/1070675496.db2.gz OFLJGRKCYGNGRY-IWIPYMOSSA-N 0 0 538.094 6.138 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S ZINC000409258724 1070679792 /nfs/dbraw/zinc/67/97/92/1070679792.db2.gz ZPXDRYNLQTUKSW-FHLSJSRISA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258698 1070679840 /nfs/dbraw/zinc/67/98/40/1070679840.db2.gz ZEUVRSLDXADZGZ-DEYGKZMTSA-N 0 0 526.680 5.100 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)SC2=S)cc1 ZINC000409253136 1070685290 /nfs/dbraw/zinc/68/52/90/1070685290.db2.gz WAUGJQSKIISMQF-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000409265484 1070688878 /nfs/dbraw/zinc/68/88/78/1070688878.db2.gz SVBVSUYMTLYODG-YOBACFSGSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409265956 1070689666 /nfs/dbraw/zinc/68/96/66/1070689666.db2.gz VJQUUVZCDMPBQC-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c1C ZINC000409260463 1070695687 /nfs/dbraw/zinc/69/56/87/1070695687.db2.gz QOPGKYMWQIEFDS-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409269412 1070703663 /nfs/dbraw/zinc/70/36/63/1070703663.db2.gz IYVGQIMQRPYXOV-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409269510 1070704291 /nfs/dbraw/zinc/70/42/91/1070704291.db2.gz JYDFZXNCZWRELD-YVNNLAQVSA-N 0 0 547.986 6.750 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409273866 1070713672 /nfs/dbraw/zinc/71/36/72/1070713672.db2.gz MFOBZNSQUAAYGO-QFEZKATASA-N 0 0 527.473 7.660 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409274165 1070714458 /nfs/dbraw/zinc/71/44/58/1070714458.db2.gz BVGIATYRLKAODE-QFEZKATASA-N 0 0 581.050 6.353 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408881217 1070784517 /nfs/dbraw/zinc/78/45/17/1070784517.db2.gz KDZJQILRYDADNQ-UHFFFAOYSA-N 0 0 553.412 6.612 40 10 KKCBRN CCCOc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408881047 1070785188 /nfs/dbraw/zinc/78/51/88/1070785188.db2.gz LKWIOHFIHNNCNU-UHFFFAOYSA-N 0 0 612.489 6.227 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408881008 1070785197 /nfs/dbraw/zinc/78/51/97/1070785197.db2.gz LRKZELDCFMSSIY-UHFFFAOYSA-N 0 0 587.470 6.916 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408880553 1070787691 /nfs/dbraw/zinc/78/76/91/1070787691.db2.gz JPHQNSRSUZVHAP-UHFFFAOYSA-N 0 0 603.074 7.973 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408878154 1070800781 /nfs/dbraw/zinc/80/07/81/1070800781.db2.gz XEAGDGZWEXRODH-YTZAWJCFSA-N 0 0 564.829 8.535 40 10 KKCBRN CCOc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408878693 1070799326 /nfs/dbraw/zinc/79/93/26/1070799326.db2.gz AIBPAUXDXGVDNB-UHFFFAOYSA-N 0 0 507.409 5.596 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408877749 1070804529 /nfs/dbraw/zinc/80/45/29/1070804529.db2.gz WVLDNRYHWCBSLA-UHFFFAOYSA-N 0 0 573.432 7.164 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408877373 1070808845 /nfs/dbraw/zinc/80/88/45/1070808845.db2.gz QXTDKVRGBNLQCZ-BIZUNTBRSA-N 0 0 645.177 6.814 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408887388 1070819992 /nfs/dbraw/zinc/81/99/92/1070819992.db2.gz QNUQNDSETNSHBL-UHFFFAOYSA-N 0 0 678.402 7.548 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)c(OC)c3)SC2=S)cc1 ZINC000409328630 1070829958 /nfs/dbraw/zinc/82/99/58/1070829958.db2.gz ZDOXUCVEUVOEDI-AFUMVMLFSA-N 0 0 656.580 5.647 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409328714 1070830389 /nfs/dbraw/zinc/83/03/89/1070830389.db2.gz AAFDZZSTGPNHSL-WSDLNYQXSA-N 0 0 564.885 7.235 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S ZINC000409329290 1070831390 /nfs/dbraw/zinc/83/13/90/1070831390.db2.gz DIWFXNDAYFGHDA-ROTLSHHCSA-N 0 0 543.626 5.423 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409329603 1070831970 /nfs/dbraw/zinc/83/19/70/1070831970.db2.gz GCJXTRWNGVOYTF-OEAKJJBVSA-N 0 0 573.477 6.280 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409329699 1070832114 /nfs/dbraw/zinc/83/21/14/1070832114.db2.gz HDBBDDZTOWHSLV-VEILYXNESA-N 0 0 527.667 7.232 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1Cl ZINC000409330018 1070832511 /nfs/dbraw/zinc/83/25/11/1070832511.db2.gz JQEVMWRCBHTQLJ-JJFYIABZSA-N 0 0 564.885 7.235 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409330114 1070833319 /nfs/dbraw/zinc/83/33/19/1070833319.db2.gz IVMKMPRBAKBQTI-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409333524 1070838732 /nfs/dbraw/zinc/83/87/32/1070838732.db2.gz UIGWXNDESDEIFL-ODLFYWEKSA-N 0 0 501.992 6.174 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409331537 1070835614 /nfs/dbraw/zinc/83/56/14/1070835614.db2.gz NPPQNSODSBGCCN-XKZIYDEJSA-N 0 0 560.922 7.404 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409332588 1070837120 /nfs/dbraw/zinc/83/71/20/1070837120.db2.gz QLYWFQJJBRWDQK-JJFYIABZSA-N 0 0 564.885 7.235 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409340111 1070846090 /nfs/dbraw/zinc/84/60/90/1070846090.db2.gz QOQDUPAHWXVGGN-OEAKJJBVSA-N 0 0 559.938 7.153 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409340023 1070846135 /nfs/dbraw/zinc/84/61/35/1070846135.db2.gz OXHSBUHARXRRCI-YBFXNURJSA-N 0 0 506.443 5.414 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000409333631 1070839280 /nfs/dbraw/zinc/83/92/80/1070839280.db2.gz UWFOFNXPDFYMSZ-RGVLZGJSSA-N 0 0 579.965 6.606 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3OC)SC2=S)cc1 ZINC000409345121 1070849370 /nfs/dbraw/zinc/84/93/70/1070849370.db2.gz KIROCFGGNLTMEW-CXUHLZMHSA-N 0 0 529.275 6.025 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)SC2=S)cc1Cl ZINC000409342755 1070850871 /nfs/dbraw/zinc/85/08/71/1070850871.db2.gz FGGCNOMYVJVZLZ-LZYBPNLTSA-N 0 0 500.823 5.534 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409335721 1070855486 /nfs/dbraw/zinc/85/54/86/1070855486.db2.gz YZXPHYFLQQUQRY-SXGWCWSVSA-N 0 0 547.279 6.104 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409343320 1070852091 /nfs/dbraw/zinc/85/20/91/1070852091.db2.gz GOZJGWLWFJEBET-YVNNLAQVSA-N 0 0 544.423 6.302 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409344483 1070852668 /nfs/dbraw/zinc/85/26/68/1070852668.db2.gz JSMHLZUVRWLLSM-YVLHZVERSA-N 0 0 545.851 5.753 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409344324 1070852814 /nfs/dbraw/zinc/85/28/14/1070852814.db2.gz IPUBCERTGUIQMC-LDADJPATSA-N 0 0 525.433 5.490 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1Cl ZINC000409338083 1070859850 /nfs/dbraw/zinc/85/98/50/1070859850.db2.gz CSIHYNJLPNAQDS-VXLYETTFSA-N 0 0 507.376 6.576 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409337963 1070860017 /nfs/dbraw/zinc/86/00/17/1070860017.db2.gz AHWHWXWIHQCMAU-RGVLZGJSSA-N 0 0 558.391 6.464 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409338039 1070860249 /nfs/dbraw/zinc/86/02/49/1070860249.db2.gz BXCDPMODYVOXEO-WCSRMQSCSA-N 0 0 535.666 5.985 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409338507 1070861135 /nfs/dbraw/zinc/86/11/35/1070861135.db2.gz LBZHHZARSYKHBD-FBHDLOMBSA-N 0 0 662.785 8.245 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1Cl ZINC000409347601 1070864280 /nfs/dbraw/zinc/86/42/80/1070864280.db2.gz QIBJYHKEMZLSSS-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409339457 1070862585 /nfs/dbraw/zinc/86/25/85/1070862585.db2.gz IISUJWPLXUPYKK-WSDLNYQXSA-N 0 0 516.471 7.295 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339479 1070862617 /nfs/dbraw/zinc/86/26/17/1070862617.db2.gz ITDDKHUMYHQXLE-APSNUPSMSA-N 0 0 512.802 6.774 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409347278 1070864494 /nfs/dbraw/zinc/86/44/94/1070864494.db2.gz NSULNOUUHMBLPR-HMAPJEAMSA-N 0 0 514.694 5.214 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409349369 1070866680 /nfs/dbraw/zinc/86/66/80/1070866680.db2.gz QKHJGOPMTNJEDL-DFUVHYAXSA-N 0 0 548.072 6.589 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)c1 ZINC000409349445 1070866879 /nfs/dbraw/zinc/86/68/79/1070866879.db2.gz PZKMUEQQPVQPSN-SRZZPIQSSA-N 0 0 548.589 7.534 40 10 KKCBRN O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349949 1070867243 /nfs/dbraw/zinc/86/72/43/1070867243.db2.gz WQCSYYJUNHVNOU-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000409352032 1070870235 /nfs/dbraw/zinc/87/02/35/1070870235.db2.gz VSIWRXJJXWIFCW-KGENOOAVSA-N 0 0 526.433 6.083 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409352772 1070871000 /nfs/dbraw/zinc/87/10/00/1070871000.db2.gz YRTOPXVNQVFLFR-YDZHTSKRSA-N 0 0 553.574 6.108 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409345515 1070876494 /nfs/dbraw/zinc/87/64/94/1070876494.db2.gz JAZZLGMTRFFPTD-ZVHZXABRSA-N 0 0 530.498 7.685 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409345474 1070876677 /nfs/dbraw/zinc/87/66/77/1070876677.db2.gz IROHRJQFOHMELW-MFOYZWKCSA-N 0 0 527.849 5.056 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC ZINC000409345455 1070876722 /nfs/dbraw/zinc/87/67/22/1070876722.db2.gz INIJZKJSLGNDED-UNOMPAQXSA-N 0 0 571.527 6.606 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409345311 1070876752 /nfs/dbraw/zinc/87/67/52/1070876752.db2.gz LJIJQBJVKRQTGQ-RQZCQDPDSA-N 0 0 514.850 5.924 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409345538 1070876822 /nfs/dbraw/zinc/87/68/22/1070876822.db2.gz JEZMWXVNEHTXSH-BHGWPJFGSA-N 0 0 548.045 6.068 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408889651 1070887884 /nfs/dbraw/zinc/88/78/84/1070887884.db2.gz ILFCHBDTFLRIIX-UHFFFAOYSA-N 0 0 538.581 5.346 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000409375313 1070889003 /nfs/dbraw/zinc/88/90/03/1070889003.db2.gz IYLZLODOUBUBKO-WQRHYEAKSA-N 0 0 543.423 5.629 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000409367988 1070891463 /nfs/dbraw/zinc/89/14/63/1070891463.db2.gz LBDRDGIPZOBOOS-NUGSKGIGSA-N 0 0 622.386 8.241 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408907077 1070891751 /nfs/dbraw/zinc/89/17/51/1070891751.db2.gz LPZCNJFMMWOOTK-FDAWAROLSA-N 0 0 679.622 7.780 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409368357 1070891798 /nfs/dbraw/zinc/89/17/98/1070891798.db2.gz ZLHDOIQYDPITCG-UFFVCSGVSA-N 0 0 673.825 7.935 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409368606 1070892090 /nfs/dbraw/zinc/89/20/90/1070892090.db2.gz DUHTVCDLDLQIJM-SSDVNMTOSA-N 0 0 578.474 6.658 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409368489 1070892463 /nfs/dbraw/zinc/89/24/63/1070892463.db2.gz YIMLWLAZWDIKBC-SRZZPIQSSA-N 0 0 639.380 7.281 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409371200 1070894399 /nfs/dbraw/zinc/89/43/99/1070894399.db2.gz GATXCTGKAFDRDK-JFLMPSFJSA-N 0 0 624.571 8.062 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409373516 1070896666 /nfs/dbraw/zinc/89/66/66/1070896666.db2.gz VAZRGYZAUYHHAQ-AWQFTUOYSA-N 0 0 636.451 6.549 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409374529 1070897851 /nfs/dbraw/zinc/89/78/51/1070897851.db2.gz RXGDVDPSZAKMFG-KSEXSDGBSA-N 0 0 542.488 7.001 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409383345 1070900541 /nfs/dbraw/zinc/90/05/41/1070900541.db2.gz UPVFYDDZBRFXQN-GRSHGNNSSA-N 0 0 557.329 6.410 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408904457 1070900614 /nfs/dbraw/zinc/90/06/14/1070900614.db2.gz JTMNQEFFLBUTNW-UDWIEESQSA-N 0 0 560.275 7.540 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408903929 1070901279 /nfs/dbraw/zinc/90/12/79/1070901279.db2.gz BIXDFNURYFRRGU-OEAKJJBVSA-N 0 0 548.437 5.980 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408904105 1070901288 /nfs/dbraw/zinc/90/12/88/1070901288.db2.gz DWDFNZQKQRJODM-LPYMAVHISA-N 0 0 552.400 5.811 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408903936 1070901383 /nfs/dbraw/zinc/90/13/83/1070901383.db2.gz BLJDBBJRYKKLSO-HYARGMPZSA-N 0 0 573.228 6.439 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)o1 ZINC000409385270 1070902530 /nfs/dbraw/zinc/90/25/30/1070902530.db2.gz IVVGNVSPKVDXLR-AWQFTUOYSA-N 0 0 505.379 6.017 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)SC1=S ZINC000409378681 1070905153 /nfs/dbraw/zinc/90/51/53/1070905153.db2.gz RMRJCFKQURQCLU-UCQKPKSFSA-N 0 0 527.509 6.657 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408903185 1070905375 /nfs/dbraw/zinc/90/53/75/1070905375.db2.gz VIIUFZVTJIBAOS-SRZZPIQSSA-N 0 0 607.275 7.382 40 10 KKCBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408903253 1070906021 /nfs/dbraw/zinc/90/60/21/1070906021.db2.gz WKQDIPJEAKTNCQ-OQLLNIDSSA-N 0 0 590.258 5.011 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)o1 ZINC000409385917 1070907691 /nfs/dbraw/zinc/90/76/91/1070907691.db2.gz MJTWQQXSZQIFMG-JVWAILMASA-N 0 0 542.613 6.289 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc(I)c1 ZINC000409394277 1070907700 /nfs/dbraw/zinc/90/77/00/1070907700.db2.gz YBBFOZZLROOCER-JJFYIABZSA-N 0 0 525.415 5.086 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408902916 1070907913 /nfs/dbraw/zinc/90/79/13/1070907913.db2.gz SCFXJHRREMIFIU-MHWRWJLKSA-N 0 0 557.285 5.559 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902925 1070907997 /nfs/dbraw/zinc/90/79/97/1070907997.db2.gz SGKYFSQIMQHQDD-UDWIEESQSA-N 0 0 642.765 7.692 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902721 1070908636 /nfs/dbraw/zinc/90/86/36/1070908636.db2.gz QKEVSTHPLRLSHB-UDWIEESQSA-N 0 0 781.216 7.485 40 10 KKCBRN CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1I ZINC000408904878 1070900056 /nfs/dbraw/zinc/90/00/56/1070900056.db2.gz PWQYUVIOBNYURG-UHFFFAOYSA-N 0 0 554.409 5.438 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408901558 1070919012 /nfs/dbraw/zinc/91/90/12/1070919012.db2.gz GJIIEDCWNHVODI-RGVLZGJSSA-N 0 0 541.308 8.285 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902650 1070910511 /nfs/dbraw/zinc/91/05/11/1070910511.db2.gz PFKBOGYNCVFBJR-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902630 1070910669 /nfs/dbraw/zinc/91/06/69/1070910669.db2.gz PAFDDGCSEZFYHI-MHWRWJLKSA-N 0 0 604.285 5.401 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408902463 1070911301 /nfs/dbraw/zinc/91/13/01/1070911301.db2.gz OBXNKQAMBUBOCO-GZTJUZNOSA-N 0 0 511.406 5.493 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408902282 1070912391 /nfs/dbraw/zinc/91/23/91/1070912391.db2.gz MTASQRMYLUWXBH-CVKSISIWSA-N 0 0 572.624 7.109 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409398388 1070912612 /nfs/dbraw/zinc/91/26/12/1070912612.db2.gz AHEDLLPDQBWRBM-PKAZHMFMSA-N 0 0 541.007 5.226 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408902123 1070913324 /nfs/dbraw/zinc/91/33/24/1070913324.db2.gz KKGWOZKRNXVKII-RGVLZGJSSA-N 0 0 618.225 6.347 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902213 1070913817 /nfs/dbraw/zinc/91/38/17/1070913817.db2.gz LZVFTWGQHOSJPF-UDWIEESQSA-N 0 0 561.866 6.996 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902170 1070913849 /nfs/dbraw/zinc/91/38/49/1070913849.db2.gz LGRIDDHKEBQTDW-CIAFOILYSA-N 0 0 569.355 5.593 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408901819 1070915286 /nfs/dbraw/zinc/91/52/86/1070915286.db2.gz HKWXFCXRUDNAMJ-DJKKODMXSA-N 0 0 550.667 7.794 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901904 1070916061 /nfs/dbraw/zinc/91/60/61/1070916061.db2.gz IRKNHYWTESLSEU-DEDYPNTBSA-N 0 0 561.320 7.196 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408901948 1070916440 /nfs/dbraw/zinc/91/64/40/1070916440.db2.gz JHGJTUVQULRLGQ-UDWIEESQSA-N 0 0 506.863 7.632 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408901694 1070917462 /nfs/dbraw/zinc/91/74/62/1070917462.db2.gz HGSQIUDIRJLMJG-RGVLZGJSSA-N 0 0 560.673 7.250 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901497 1070921084 /nfs/dbraw/zinc/92/10/84/1070921084.db2.gz GBGKYIJZUSXFOL-RGVLZGJSSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408901464 1070921128 /nfs/dbraw/zinc/92/11/28/1070921128.db2.gz FLVNIZKGFWEMPU-LPYMAVHISA-N 0 0 617.281 6.838 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408901233 1070921908 /nfs/dbraw/zinc/92/19/08/1070921908.db2.gz CHOUADDZWHFLEM-PCLIKHOPSA-N 0 0 609.510 7.438 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408901235 1070922046 /nfs/dbraw/zinc/92/20/46/1070922046.db2.gz CJCPMQHMTDPSCH-DEDYPNTBSA-N 0 0 512.322 5.815 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408901348 1070923697 /nfs/dbraw/zinc/92/36/97/1070923697.db2.gz DKGVGWSKCMLPNQ-FYJGNVAPSA-N 0 0 685.346 6.889 40 10 KKCBRN O=C1/C(=C/c2cc(Br)cc(I)c2O)SC(=S)N1c1ccccc1 ZINC000408900945 1070926051 /nfs/dbraw/zinc/92/60/51/1070926051.db2.gz AKIXSRXYRMDBSD-QPEQYQDCSA-N 0 0 518.195 5.165 40 10 KKCBRN Cc1cc(C)cc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408898732 1070955329 /nfs/dbraw/zinc/95/53/29/1070955329.db2.gz MRPUQCMKZCNGHE-UHFFFAOYSA-N 0 0 518.638 6.631 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408908890 1070981361 /nfs/dbraw/zinc/98/13/61/1070981361.db2.gz SXDBVIPVVYRSNJ-BIZUNTBRSA-N 0 0 679.622 7.978 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)NC1=S ZINC000408909308 1070977645 /nfs/dbraw/zinc/97/76/45/1070977645.db2.gz GHICFXNZYISKSC-NYYWCZLTSA-N 0 0 534.646 5.245 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408911164 1071062761 /nfs/dbraw/zinc/06/27/61/1071062761.db2.gz JHQUHUCJZBIIQX-JBVGNYNVSA-N 0 0 743.667 6.655 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408926314 1071074646 /nfs/dbraw/zinc/07/46/46/1071074646.db2.gz MLJAANPLFJPSMF-XNENXQGPSA-N 0 0 605.760 6.148 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000408919764 1071112507 /nfs/dbraw/zinc/11/25/07/1071112507.db2.gz CBOKDKCSQTYQTN-OGEXXFCLSA-N 0 0 585.795 5.933 40 10 KKCBRN CCCCN(CCCC)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(Cl)cc4)NN32)cc1 ZINC000588226340 1071182026 /nfs/dbraw/zinc/18/20/26/1071182026.db2.gz SUCHYPQXFLIREL-LJAQVGFWSA-N 0 0 560.167 5.823 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000408937123 1071204763 /nfs/dbraw/zinc/20/47/63/1071204763.db2.gz IDFSIZDONYFCIJ-FYJGNVAPSA-N 0 0 553.840 6.522 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408936665 1071210267 /nfs/dbraw/zinc/21/02/67/1071210267.db2.gz HDAIDDHQTQNNAL-FYJGNVAPSA-N 0 0 509.787 6.123 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208702278 1071213708 /nfs/dbraw/zinc/21/37/08/1071213708.db2.gz HFKHWDXAUFGYKN-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000208703631 1071213741 /nfs/dbraw/zinc/21/37/41/1071213741.db2.gz XQZVQBDEBQKJPA-NSIKDUERSA-N 0 0 553.219 6.645 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000208705013 1071213776 /nfs/dbraw/zinc/21/37/76/1071213776.db2.gz IBXHYDKSIONAOK-JJFYIABZSA-N 0 0 611.366 7.758 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000208700988 1071212993 /nfs/dbraw/zinc/21/29/93/1071212993.db2.gz XTYWVLVCOSGVPS-FBHDLOMBSA-N 0 0 570.441 8.006 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000408935896 1071217853 /nfs/dbraw/zinc/21/78/53/1071217853.db2.gz IRPSBKRRHKOUSE-LPYMAVHISA-N 0 0 584.385 5.850 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408943994 1071261943 /nfs/dbraw/zinc/26/19/43/1071261943.db2.gz TTZSTTLZFSWXHO-HYARGMPZSA-N 0 0 583.460 5.366 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1OCC ZINC000408946499 1071268599 /nfs/dbraw/zinc/26/85/99/1071268599.db2.gz OYAVHWJBUZCFRD-FWWZVOFESA-N 0 0 697.595 5.136 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6F)cc5)c4C)c(=O)n32)cc1OCC ZINC000408943836 1071290912 /nfs/dbraw/zinc/29/09/12/1071290912.db2.gz MIAMIVKQYFIBAC-RVKRRNEASA-N 0 0 681.786 5.941 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941870 1071304214 /nfs/dbraw/zinc/30/42/14/1071304214.db2.gz QQYZRDMHEVJBBN-YCMYYBHNSA-N 0 0 708.708 7.318 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941689 1071305876 /nfs/dbraw/zinc/30/58/76/1071305876.db2.gz QDWVXCCMMHLEAX-NPRXSWCKSA-N 0 0 679.814 6.711 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223449624 1071309570 /nfs/dbraw/zinc/30/95/70/1071309570.db2.gz ZATUVNUDEYHGAY-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408939486 1071322512 /nfs/dbraw/zinc/32/25/12/1071322512.db2.gz BFCBYORTPGIXIY-TZUCAZQYSA-N 0 0 692.632 5.542 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccccc4)c(=O)n32)cc1OCC ZINC000408949147 1071361575 /nfs/dbraw/zinc/36/15/75/1071361575.db2.gz SARMAVSMKNQJMG-KCIKPNFESA-N 0 0 641.790 5.241 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1C ZINC000408962561 1071426172 /nfs/dbraw/zinc/42/61/72/1071426172.db2.gz ZDBPHASQEJNNCV-MYYYXRDXSA-N 0 0 501.652 6.257 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C ZINC000408962517 1071426882 /nfs/dbraw/zinc/42/68/82/1071426882.db2.gz YVMRKIIYIMWTAC-UCQKPKSFSA-N 0 0 509.469 6.964 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000408704478 1071439022 /nfs/dbraw/zinc/43/90/22/1071439022.db2.gz OAKQNVFJHDENRQ-NDEPHWFRSA-N 0 0 522.070 5.085 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408973449 1071447812 /nfs/dbraw/zinc/44/78/12/1071447812.db2.gz SJGRIKPZSFUXHK-HAHDFKILSA-N 0 0 538.367 7.109 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 ZINC000408968449 1071461430 /nfs/dbraw/zinc/46/14/30/1071461430.db2.gz YXLAOWVPDIXZPT-IWIPYMOSSA-N 0 0 517.607 5.254 40 10 KKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1C ZINC000408968608 1071461438 /nfs/dbraw/zinc/46/14/38/1071461438.db2.gz XWLCHAVSNCWTPI-IMRQLAEWSA-N 0 0 544.677 5.168 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408976774 1071469484 /nfs/dbraw/zinc/46/94/84/1071469484.db2.gz GKFOQELMCGVVGH-KFOJKGMOSA-N 0 0 683.628 6.061 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408978976 1071481043 /nfs/dbraw/zinc/48/10/43/1071481043.db2.gz BGYURSQYIXGGAK-GOQPZEPVSA-N 0 0 587.745 5.960 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc([N+](=O)[O-])ccc4OC)C3=O)o2)cc1 ZINC000408986941 1071483260 /nfs/dbraw/zinc/48/32/60/1071483260.db2.gz TUDMHEJTIKFVJC-CJLVFECKSA-N 0 0 522.513 6.121 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cc(C)cc(C)c1 ZINC000408986909 1071487400 /nfs/dbraw/zinc/48/74/00/1071487400.db2.gz PYBCJCAHFOOYPA-KEPJHFNWSA-N 0 0 574.146 5.865 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408986663 1071487840 /nfs/dbraw/zinc/48/78/40/1071487840.db2.gz SDRMOEGHIXTJDL-UHFFFAOYSA-N 0 0 568.783 7.969 40 10 KKCBRN CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408986681 1071487982 /nfs/dbraw/zinc/48/79/82/1071487982.db2.gz SLJMJVMPKXTNSE-JQYNYKRXSA-N 0 0 503.598 7.718 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3C)C2=O)cc1Br ZINC000408986594 1071489502 /nfs/dbraw/zinc/48/95/02/1071489502.db2.gz QZCQGIFLVWRNBF-XSFVSMFZSA-N 0 0 586.267 7.232 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Oc4ccc(OC)cc4)cc3)C2=O)cc1Br ZINC000408986273 1071491614 /nfs/dbraw/zinc/49/16/14/1071491614.db2.gz PJJQXJFFLHETAX-LYBHJNIJSA-N 0 0 568.467 8.120 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408986301 1071492401 /nfs/dbraw/zinc/49/24/01/1071492401.db2.gz OYUNFYNXYOBXNW-KJDHVJLISA-N 0 0 638.145 5.725 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C(=O)OC)ccc4Cl)C3=O)o2)cc1 ZINC000408985894 1071497068 /nfs/dbraw/zinc/49/70/68/1071497068.db2.gz NVQZRAHGQFIQPI-XQNSMLJCSA-N 0 0 539.971 6.645 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408984834 1071506310 /nfs/dbraw/zinc/50/63/10/1071506310.db2.gz NBJYRLSVGIZHOY-UFKHLRDRSA-N 0 0 622.190 6.613 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408984856 1071506423 /nfs/dbraw/zinc/50/64/23/1071506423.db2.gz NEDIQWUBMMNLMW-LCQSEVKBSA-N 0 0 620.569 5.285 40 10 KKCBRN CCCN(CN1C(=O)/C(=C/c2ccccc2)SC1=S)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000408718425 1071509610 /nfs/dbraw/zinc/50/96/10/1071509610.db2.gz XHHSTQRKVRUEOH-SIBCGJTDSA-N 0 0 525.746 5.416 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408984155 1071510024 /nfs/dbraw/zinc/51/00/24/1071510024.db2.gz ICWAGHAJSWMEPI-KMCFWPMWSA-N 0 0 699.614 6.256 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408726857 1071511329 /nfs/dbraw/zinc/51/13/29/1071511329.db2.gz VXXUOSDCVLCXRM-UHFFFAOYSA-N 0 0 532.596 6.474 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408984217 1071511564 /nfs/dbraw/zinc/51/15/64/1071511564.db2.gz MDEIUQIJKQALBO-PRPIGUFTSA-N 0 0 647.797 5.977 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408984086 1071512556 /nfs/dbraw/zinc/51/25/56/1071512556.db2.gz HXLMQVDHWSKGDZ-GWXNNEATSA-N 0 0 661.780 5.528 40 10 KKCBRN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 ZINC000408984117 1071513140 /nfs/dbraw/zinc/51/31/40/1071513140.db2.gz FBXRKVFMACKIIO-LDADJPATSA-N 0 0 532.208 7.378 40 10 KKCBRN COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408725533 1071520083 /nfs/dbraw/zinc/52/00/83/1071520083.db2.gz JTCPXKDZXBWRFK-HAHDFKILSA-N 0 0 571.427 6.511 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408726595 1071516344 /nfs/dbraw/zinc/51/63/44/1071516344.db2.gz UCXUQSRXMOEGFL-WEMUVCOSSA-N 0 0 596.683 8.018 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408726024 1071517388 /nfs/dbraw/zinc/51/73/88/1071517388.db2.gz OFXWSVAFCQOWKY-UHFFFAOYSA-N 0 0 548.664 6.639 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1 ZINC000408726162 1071517894 /nfs/dbraw/zinc/51/78/94/1071517894.db2.gz QLYRADFEPZECIT-DFKUXCBWSA-N 0 0 582.656 7.709 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408725679 1071519422 /nfs/dbraw/zinc/51/94/22/1071519422.db2.gz MKCSQRBUWUBEOW-UHFFFAOYSA-N 0 0 625.519 7.627 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408725632 1071519465 /nfs/dbraw/zinc/51/94/65/1071519465.db2.gz LMWZPLOHKSDNKK-TWKHWXDSSA-N 0 0 603.074 7.973 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408725693 1071519473 /nfs/dbraw/zinc/51/94/73/1071519473.db2.gz MSGPXUIKZCBALW-UHFFFAOYSA-N 0 0 581.068 7.518 40 10 KKCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000408724643 1071524681 /nfs/dbraw/zinc/52/46/81/1071524681.db2.gz CZOSWCPQWHKCPS-LGUFXXKBSA-N 0 0 520.585 6.529 40 10 KKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000408724441 1071525447 /nfs/dbraw/zinc/52/54/47/1071525447.db2.gz ACGFHCMWWZKSQE-LGUFXXKBSA-N 0 0 520.585 6.529 40 10 KKCBRN COc1ccc(N2C(=O)C(=CC3=CC(=NNc4ccc(Cl)cc4Cl)C=CC3=O)SC2=S)cc1 ZINC000408724113 1071526404 /nfs/dbraw/zinc/52/64/04/1071526404.db2.gz FNEMYVIRWUFLMP-GMEOSHFQSA-N 0 0 516.431 7.529 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408981084 1071536387 /nfs/dbraw/zinc/53/63/87/1071536387.db2.gz YXYCDAIBJBSABT-IKHSWBDUSA-N 0 0 648.785 5.697 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408981500 1071535022 /nfs/dbraw/zinc/53/50/22/1071535022.db2.gz IAOJUKQZGOHDII-UOVKPGFYSA-N 0 0 621.715 5.096 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408980125 1071541168 /nfs/dbraw/zinc/54/11/68/1071541168.db2.gz DQIISRWFPXYVIM-XNENXQGPSA-N 0 0 666.199 6.173 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408979340 1071544120 /nfs/dbraw/zinc/54/41/20/1071544120.db2.gz BTHSQUKBKFNSKR-UQDCTOEPSA-N 0 0 560.119 5.476 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5C)c4C)c(=O)n32)c(OC)c1 ZINC000408977308 1071550546 /nfs/dbraw/zinc/55/05/46/1071550546.db2.gz IBYDXEHQXYEKIV-UHSYMONFSA-N 0 0 653.204 6.260 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 ZINC000408995012 1071554798 /nfs/dbraw/zinc/55/47/98/1071554798.db2.gz KONSLGMYBLFZBB-YBFXNURJSA-N 0 0 518.252 8.349 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408994820 1071555808 /nfs/dbraw/zinc/55/58/08/1071555808.db2.gz JOSUOIBTAVNHRE-CJLVFECKSA-N 0 0 517.006 6.575 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)[C@H]1CC=C[C@@H]21 ZINC000408736121 1071557192 /nfs/dbraw/zinc/55/71/92/1071557192.db2.gz GNNZKSNYKMGBEI-IWHLBADBSA-N 0 0 504.026 7.321 40 10 KKCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc43)cc1)N2 ZINC000408736118 1071557230 /nfs/dbraw/zinc/55/72/30/1071557230.db2.gz GFNNJCSEDREMDP-ALTZYDRJSA-N 0 0 529.421 7.850 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994390 1071558352 /nfs/dbraw/zinc/55/83/52/1071558352.db2.gz ZJUYJNKPZKTLEN-MHZLTWQESA-N 0 0 548.112 5.999 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993915 1071563309 /nfs/dbraw/zinc/56/33/09/1071563309.db2.gz XMADBZNXHADHKG-UHFFFAOYSA-N 0 0 654.741 6.447 40 10 KKCBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734657 1071564153 /nfs/dbraw/zinc/56/41/53/1071564153.db2.gz BLSCXEKWCFNFQH-HXUWFJFHSA-N 0 0 522.674 6.334 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4ccccn4)o3)sc2=N1 ZINC000408992245 1071573756 /nfs/dbraw/zinc/57/37/56/1071573756.db2.gz RABAHYZLHGGIGU-LQVYZAQWSA-N 0 0 593.734 5.079 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC ZINC000408992216 1071573767 /nfs/dbraw/zinc/57/37/67/1071573767.db2.gz SJWBVUDNFWCVAU-UHFFFAOYSA-N 0 0 541.456 6.376 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)c(OC)c3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408991545 1071581068 /nfs/dbraw/zinc/58/10/68/1071581068.db2.gz YIAIRAVGVVFDMO-FUZBLHKMSA-N 0 0 691.806 5.537 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408991661 1071578483 /nfs/dbraw/zinc/57/84/83/1071578483.db2.gz QVRMSLCQQMDHGP-UHFFFAOYSA-N 0 0 583.493 6.300 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408991451 1071579565 /nfs/dbraw/zinc/57/95/65/1071579565.db2.gz OGKRPHKBYDUHES-QRRGNZNSSA-N 0 0 801.972 9.017 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408991468 1071579649 /nfs/dbraw/zinc/57/96/49/1071579649.db2.gz XMOCJAJVVDXFJB-PRPIGUFTSA-N 0 0 647.797 5.977 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408990348 1071590116 /nfs/dbraw/zinc/59/01/16/1071590116.db2.gz KTJMIYDHXBEGRD-UHFFFAOYSA-N 0 0 580.518 7.498 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408989468 1071597088 /nfs/dbraw/zinc/59/70/88/1071597088.db2.gz KUGZBWHOZSFMTQ-UHFFFAOYSA-N 0 0 586.710 6.009 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)SC(=S)N1c1cccc(Cl)c1 ZINC000408728327 1071597433 /nfs/dbraw/zinc/59/74/33/1071597433.db2.gz ZUYQWNSYYVQTTN-WAGURDLBSA-N 0 0 519.957 7.886 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408988776 1071602603 /nfs/dbraw/zinc/60/26/03/1071602603.db2.gz FXHNYAFHIURCBY-UHFFFAOYSA-N 0 0 783.957 9.898 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3I)C2=O)cc1Br ZINC000408739473 1071603242 /nfs/dbraw/zinc/60/32/42/1071603242.db2.gz WPCIKGQQSJDOOX-QGOAFFKASA-N 0 0 558.213 6.534 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739571 1071603318 /nfs/dbraw/zinc/60/33/18/1071603318.db2.gz XVTRXBSMQMXPQL-GONGWJOBSA-N 0 0 591.733 5.758 40 10 KKCBRN COc1ccccc1NC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408988432 1071604616 /nfs/dbraw/zinc/60/46/16/1071604616.db2.gz HYPAZCIBWFEWMQ-MHZLTWQESA-N 0 0 529.666 5.046 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739068 1071605530 /nfs/dbraw/zinc/60/55/30/1071605530.db2.gz SMUTZWXSVFWPBC-USDTVRPUSA-N 0 0 590.145 5.566 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738716 1071608194 /nfs/dbraw/zinc/60/81/94/1071608194.db2.gz NAWVSQWVLCUCMG-HTNWYMAZSA-N 0 0 694.835 6.664 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738062 1071611439 /nfs/dbraw/zinc/61/14/39/1071611439.db2.gz IPMQFDZTVQXYKJ-VPHSIRQSSA-N 0 0 590.145 5.566 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCC(=O)Nc2ccc(Cl)cc2)N1 ZINC000408987746 1071611413 /nfs/dbraw/zinc/61/14/13/1071611413.db2.gz GMKXEVSYKYAECG-AREMUKBSSA-N 0 0 534.085 5.691 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000408737858 1071612033 /nfs/dbraw/zinc/61/20/33/1071612033.db2.gz YQXMFRQKNRRUFZ-NLRVBDNBSA-N 0 0 509.949 6.662 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408987336 1071613972 /nfs/dbraw/zinc/61/39/72/1071613972.db2.gz OCJSURBMKDWCAU-HRDPZVOISA-N 0 0 647.797 6.280 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408996914 1071615986 /nfs/dbraw/zinc/61/59/86/1071615986.db2.gz FLJWUMMLQOQTCH-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O ZINC000408743695 1071617290 /nfs/dbraw/zinc/61/72/90/1071617290.db2.gz UJQFZPDEBSORQQ-AWNIVKPZSA-N 0 0 543.005 5.881 40 10 KKCBRN CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I ZINC000408742992 1071619598 /nfs/dbraw/zinc/61/95/98/1071619598.db2.gz RBLPTASTYUHLPY-AWNIVKPZSA-N 0 0 592.554 5.456 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408996071 1071620512 /nfs/dbraw/zinc/62/05/12/1071620512.db2.gz NXHIXHKXKUGNMQ-FYQCMVGJSA-N 0 0 559.540 7.115 40 10 KKCBRN CC(=O)Oc1c(I)cc(I)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O ZINC000408742529 1071620676 /nfs/dbraw/zinc/62/06/76/1071620676.db2.gz POHGAHOSZRKAQS-VIZOYTHASA-N 0 0 572.136 5.111 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408742420 1071621162 /nfs/dbraw/zinc/62/11/62/1071621162.db2.gz OWFALDKQGIHRCY-VCHYOVAHSA-N 0 0 685.093 7.219 40 10 KKCBRN CNc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1I ZINC000408741805 1071623449 /nfs/dbraw/zinc/62/34/49/1071623449.db2.gz NWOWUQVWNLGHGT-UHFFFAOYSA-N 0 0 665.294 5.686 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408740942 1071627862 /nfs/dbraw/zinc/62/78/62/1071627862.db2.gz FJKAVIODZCAAFM-YBFXNURJSA-N 0 0 546.244 7.715 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741534 1071625173 /nfs/dbraw/zinc/62/51/73/1071625173.db2.gz QJJXVBKBHDEYJD-UHFFFAOYSA-N 0 0 504.590 5.744 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409006232 1071625675 /nfs/dbraw/zinc/62/56/75/1071625675.db2.gz IFEFBASXSBRTMM-UNDLXJOSSA-N 0 0 569.727 5.221 40 10 KKCBRN CC(=O)Oc1c(I)cc(Cl)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000408741438 1071625717 /nfs/dbraw/zinc/62/57/17/1071625717.db2.gz IVVURBMWXHIRDP-AWNIVKPZSA-N 0 0 501.103 5.505 40 10 KKCBRN CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000408740690 1071629005 /nfs/dbraw/zinc/62/90/05/1071629005.db2.gz DHIGUAUHJYYPBO-AWNIVKPZSA-N 0 0 543.005 5.881 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408740398 1071630713 /nfs/dbraw/zinc/63/07/13/1071630713.db2.gz BPJJFFBBZOOSBF-GIJQJNRQSA-N 0 0 580.689 8.368 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409005162 1071631074 /nfs/dbraw/zinc/63/10/74/1071631074.db2.gz CUERDMTUBRAVRT-ZFWDJNJRSA-N 0 0 600.955 6.166 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408740326 1071631419 /nfs/dbraw/zinc/63/14/19/1071631419.db2.gz BBUZYCUDHGADCO-CAOOACKPSA-N 0 0 613.662 7.820 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740045 1071632095 /nfs/dbraw/zinc/63/20/95/1071632095.db2.gz HYTZXNRHQGFMNT-UHFFFAOYSA-N 0 0 505.643 6.459 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409003373 1071637156 /nfs/dbraw/zinc/63/71/56/1071637156.db2.gz ZRKAARRJKJFCOM-CFEDROAVSA-N 0 0 562.695 5.013 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c(C)c1 ZINC000409001409 1071644986 /nfs/dbraw/zinc/64/49/86/1071644986.db2.gz PQSUJVZSEYSHDK-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408755818 1071641036 /nfs/dbraw/zinc/64/10/36/1071641036.db2.gz PLNHFYHZGZNNOG-XSFVSMFZSA-N 0 0 507.398 6.829 40 10 KKCBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000409002027 1071642296 /nfs/dbraw/zinc/64/22/96/1071642296.db2.gz LQQDAPZLQHEQCF-HBPDSDHJSA-N 0 0 583.648 7.508 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 ZINC000408755741 1071642565 /nfs/dbraw/zinc/64/25/65/1071642565.db2.gz MRABMOZDDNBWBU-KEBDBYFISA-N 0 0 506.614 7.244 40 10 KKCBRN CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408755793 1071643291 /nfs/dbraw/zinc/64/32/91/1071643291.db2.gz WHIKNRMMOKWYNB-COEJQBHMSA-N 0 0 533.697 7.022 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409001211 1071647165 /nfs/dbraw/zinc/64/71/65/1071647165.db2.gz VMABAEISMHPXDR-PLNPHXOGSA-N 0 0 731.681 6.670 40 10 KKCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C ZINC000409000407 1071650006 /nfs/dbraw/zinc/65/00/06/1071650006.db2.gz YAVUHVASBVAGOT-YBFXNURJSA-N 0 0 539.346 5.183 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408999786 1071652084 /nfs/dbraw/zinc/65/20/84/1071652084.db2.gz SJRITIINKMLZDW-HYRGFNLMSA-N 0 0 681.883 7.732 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408999646 1071652999 /nfs/dbraw/zinc/65/29/99/1071652999.db2.gz RSJAZOPNMLEUJD-HYRGFNLMSA-N 0 0 665.815 7.019 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999622 1071655305 /nfs/dbraw/zinc/65/53/05/1071655305.db2.gz RNTZKDYMAOCGCS-WOKYONKFSA-N 0 0 677.870 8.134 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408999133 1071656455 /nfs/dbraw/zinc/65/64/55/1071656455.db2.gz WNQYLBGYLRXPQE-CPNJWEJPSA-N 0 0 509.414 7.060 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409016493 1071667825 /nfs/dbraw/zinc/66/78/25/1071667825.db2.gz UIEQWECKFJUTRD-UCQKPKSFSA-N 0 0 534.406 5.914 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015830 1071669768 /nfs/dbraw/zinc/66/97/68/1071669768.db2.gz BRHYSLQCIVOKJP-ZCTHSVRISA-N 0 0 647.149 6.518 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409015614 1071671399 /nfs/dbraw/zinc/67/13/99/1071671399.db2.gz SRLFCNIAAGLMIR-UDWIEESQSA-N 0 0 633.282 5.481 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409015404 1071671419 /nfs/dbraw/zinc/67/14/19/1071671419.db2.gz ZQBKQICCOWDTED-RDRPBHBLSA-N 0 0 604.559 7.544 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409015508 1071671923 /nfs/dbraw/zinc/67/19/23/1071671923.db2.gz NMLPASGDBPALOG-MIUGUJGPSA-N 0 0 678.605 5.072 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409015162 1071672886 /nfs/dbraw/zinc/67/28/86/1071672886.db2.gz YUJLGJKIGDDQBQ-HUSFYUSLSA-N 0 0 582.440 5.275 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409014848 1071673903 /nfs/dbraw/zinc/67/39/03/1071673903.db2.gz QJZOJAIGUHFPNZ-JFLMPSFJSA-N 0 0 532.427 7.077 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409014212 1071677199 /nfs/dbraw/zinc/67/71/99/1071677199.db2.gz GNZYJSCFRCJDOE-JBVGNYNVSA-N 0 0 711.682 6.180 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409013851 1071678256 /nfs/dbraw/zinc/67/82/56/1071678256.db2.gz WHRSRCHVPFIGPD-VVSAQIQQSA-N 0 0 511.825 5.498 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409013689 1071678793 /nfs/dbraw/zinc/67/87/93/1071678793.db2.gz CVGUOFAFPFVMOO-TWKHWXDSSA-N 0 0 584.141 7.280 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013717 1071679312 /nfs/dbraw/zinc/67/93/12/1071679312.db2.gz NQBMYLJIVWKLKG-FYJGNVAPSA-N 0 0 539.013 5.228 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409011892 1071685704 /nfs/dbraw/zinc/68/57/04/1071685704.db2.gz OXLZUOKNUAIJEB-ULJHMMPZSA-N 0 0 513.981 5.368 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012576 1071683386 /nfs/dbraw/zinc/68/33/86/1071683386.db2.gz KLWBQTWWXCFQDE-AJBULDERSA-N 0 0 596.705 5.852 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409011315 1071687342 /nfs/dbraw/zinc/68/73/42/1071687342.db2.gz HBFYAFYUYKFOCZ-LPYMAVHISA-N 0 0 605.894 5.360 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010973 1071689853 /nfs/dbraw/zinc/68/98/53/1071689853.db2.gz DZSAJAQULFHNNM-AJBULDERSA-N 0 0 679.622 7.201 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010977 1071689878 /nfs/dbraw/zinc/68/98/78/1071689878.db2.gz FABDWMWFECLRLN-NDZAJKAJSA-N 0 0 633.122 6.210 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc43)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409009514 1071695580 /nfs/dbraw/zinc/69/55/80/1071695580.db2.gz APWMBGKKAQQOPS-KOEQRZSOSA-N 0 0 514.050 6.464 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009520 1071695675 /nfs/dbraw/zinc/69/56/75/1071695675.db2.gz ASLGLWQZRGKMCZ-WPWMEQJKSA-N 0 0 548.661 5.060 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409009434 1071695688 /nfs/dbraw/zinc/69/56/88/1071695688.db2.gz FTLSGSNAZFVWOW-UDWIEESQSA-N 0 0 588.831 5.372 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409008965 1071698327 /nfs/dbraw/zinc/69/83/27/1071698327.db2.gz ATMTUUFHNCUNPB-STBIYBPSSA-N 0 0 730.464 7.926 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000408759084 1071702405 /nfs/dbraw/zinc/70/24/05/1071702405.db2.gz XPNXBJDCVQAFQK-FYJGNVAPSA-N 0 0 542.227 6.063 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409017175 1071704156 /nfs/dbraw/zinc/70/41/56/1071704156.db2.gz LCMUYCZSDBWUFT-VCLSCOGJSA-N 0 0 696.225 6.100 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409007381 1071703135 /nfs/dbraw/zinc/70/31/35/1071703135.db2.gz OHEUYCRQUUEQDQ-PRLWALMFSA-N 0 0 560.119 5.476 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)SC1=S ZINC000409008458 1071699943 /nfs/dbraw/zinc/69/99/43/1071699943.db2.gz ZBBLRJPMMAWNNI-YVLHZVERSA-N 0 0 527.303 6.320 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409008104 1071700927 /nfs/dbraw/zinc/70/09/27/1071700927.db2.gz TXSLKXQVFPVPMZ-UHFFFAOYSA-N 0 0 763.508 7.993 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017108 1071704380 /nfs/dbraw/zinc/70/43/80/1071704380.db2.gz WPSNKVWUQQXDJU-TWKHWXDSSA-N 0 0 567.686 6.766 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758259 1071707197 /nfs/dbraw/zinc/70/71/97/1071707197.db2.gz XSUJROJQFFWTIK-HRVREYSGSA-N 0 0 649.816 7.410 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409024918 1071709931 /nfs/dbraw/zinc/70/99/31/1071709931.db2.gz YWGDFDFHTGELBW-MRWVFDTMSA-N 0 0 706.659 5.852 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409024455 1071711282 /nfs/dbraw/zinc/71/12/82/1071711282.db2.gz SVUCPEJLDSZFQL-NTNOMAAHSA-N 0 0 620.775 5.434 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024337 1071712294 /nfs/dbraw/zinc/71/22/94/1071712294.db2.gz QSLGWEGDGPQASN-ADUBFANXSA-N 0 0 619.787 6.456 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409023487 1071715478 /nfs/dbraw/zinc/71/54/78/1071715478.db2.gz FAJFYVXIJGSXFJ-WAHKBFHJSA-N 0 0 617.771 6.050 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409024121 1071713173 /nfs/dbraw/zinc/71/31/73/1071713173.db2.gz WNXRELUFPQBEAR-FATJQOLTSA-N 0 0 605.739 5.487 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409023947 1071713670 /nfs/dbraw/zinc/71/36/70/1071713670.db2.gz OAGDEAMSRWXTBE-FATJQOLTSA-N 0 0 581.782 6.418 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409023481 1071715020 /nfs/dbraw/zinc/71/50/20/1071715020.db2.gz NXMNGFUREWFFOK-CXABMRDKSA-N 0 0 558.707 5.590 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000409022121 1071719830 /nfs/dbraw/zinc/71/98/30/1071719830.db2.gz FJGLOQYDTIILKR-SVXDAGRPSA-N 0 0 637.783 5.500 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(I)c3)C2=O)cc1 ZINC000408766562 1071719861 /nfs/dbraw/zinc/71/98/61/1071719861.db2.gz VMVNZLWATPIBNB-AQTBWJFISA-N 0 0 513.762 6.425 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023215 1071716315 /nfs/dbraw/zinc/71/63/15/1071716315.db2.gz VAURVEIHOQYRHK-JESJEVRBSA-N 0 0 682.640 6.423 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409022601 1071717983 /nfs/dbraw/zinc/71/79/83/1071717983.db2.gz CFGMKYJQPMNUNO-MIUGUJGPSA-N 0 0 618.155 5.343 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409022465 1071718998 /nfs/dbraw/zinc/71/89/98/1071718998.db2.gz OZKRUNKDNPANTB-NTNOMAAHSA-N 0 0 666.199 6.092 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408766524 1071719443 /nfs/dbraw/zinc/71/94/43/1071719443.db2.gz COSJNPDMRDAVKP-SELCLYCASA-N 0 0 582.556 7.033 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409019786 1071728261 /nfs/dbraw/zinc/72/82/61/1071728261.db2.gz XYNWCUVKYLWQNI-ADUBFANXSA-N 0 0 677.848 6.160 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(OCC)c(O)c(Br)c2Br)C(=O)N(c2ccccc2)C1=S ZINC000409018930 1071730871 /nfs/dbraw/zinc/73/08/71/1071730871.db2.gz ZCAVRHQOCDCNMN-RVDMUPIBSA-N 0 0 568.287 5.270 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017575 1071736026 /nfs/dbraw/zinc/73/60/26/1071736026.db2.gz MMIWRWHVVGIGBG-KQWNVCNZSA-N 0 0 522.468 5.810 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408762092 1071736876 /nfs/dbraw/zinc/73/68/76/1071736876.db2.gz CPBCOYPMYKDQBU-UDWIEESQSA-N 0 0 555.812 5.665 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409037118 1071738674 /nfs/dbraw/zinc/73/86/74/1071738674.db2.gz SMJBJDHGHAGXEN-CXUHLZMHSA-N 0 0 533.409 5.684 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036927 1071739564 /nfs/dbraw/zinc/73/95/64/1071739564.db2.gz MMEFRRBDOPGIID-FAVIKPSQSA-N 0 0 769.658 5.069 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC(C)C ZINC000409036564 1071740807 /nfs/dbraw/zinc/74/08/07/1071740807.db2.gz LQHXUMQKXTWRDV-MLPAPPSSSA-N 0 0 594.318 6.226 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409036333 1071743535 /nfs/dbraw/zinc/74/35/35/1071743535.db2.gz RAKQQGGXKXZTOU-FHQMNNMHSA-N 0 0 624.590 6.300 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)sc2=N1 ZINC000409036277 1071742876 /nfs/dbraw/zinc/74/28/76/1071742876.db2.gz VIHOBRKJCPZVDP-DUCIMOQJSA-N 0 0 682.640 6.547 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408770082 1071744212 /nfs/dbraw/zinc/74/42/12/1071744212.db2.gz SMNYOHSJISJPKZ-DUCIMOQJSA-N 0 0 557.719 6.043 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408777228 1071746203 /nfs/dbraw/zinc/74/62/03/1071746203.db2.gz WXCOSUMEHQEKES-NQRZERFFSA-N 0 0 509.433 6.835 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC(C)C)c(OC)c3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409035265 1071752022 /nfs/dbraw/zinc/75/20/22/1071752022.db2.gz RTDFRTGTJOVDKQ-HZHHUVPKSA-N 0 0 657.789 5.178 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000409035737 1071748927 /nfs/dbraw/zinc/74/89/27/1071748927.db2.gz QNYPKEZHVJLAPT-KEPJHFNWSA-N 0 0 716.041 6.253 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408776319 1071750435 /nfs/dbraw/zinc/75/04/35/1071750435.db2.gz NRAGROMHAAFJNM-UHFFFAOYSA-N 0 0 522.542 5.530 40 10 KKCBRN COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000408775799 1071753948 /nfs/dbraw/zinc/75/39/48/1071753948.db2.gz SCKCYPUJRGXXFH-XYGWBWBKSA-N 0 0 523.614 5.179 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409035023 1071755454 /nfs/dbraw/zinc/75/54/54/1071755454.db2.gz OPSLBSBLCXAZTD-STZFKDTASA-N 0 0 580.509 7.097 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409035007 1071755499 /nfs/dbraw/zinc/75/54/99/1071755499.db2.gz IQGPXGRDVRYWDE-MKMNVTDBSA-N 0 0 744.623 7.630 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409034333 1071761708 /nfs/dbraw/zinc/76/17/08/1071761708.db2.gz NHGGYULGAFWPKL-GRSHGNNSSA-N 0 0 526.905 6.547 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408773374 1071768319 /nfs/dbraw/zinc/76/83/19/1071768319.db2.gz VBUWRIHFRBILRW-NXYYLBPMSA-N 0 0 674.675 7.372 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)cc1 ZINC000409033541 1071768908 /nfs/dbraw/zinc/76/89/08/1071768908.db2.gz FMLAARIXKFEWGG-RGVLZGJSSA-N 0 0 507.943 7.183 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409033566 1071768978 /nfs/dbraw/zinc/76/89/78/1071768978.db2.gz FPWUYYFRHGFLEY-BUVRLJJBSA-N 0 0 507.943 7.308 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(C)c1 ZINC000409033294 1071771640 /nfs/dbraw/zinc/77/16/40/1071771640.db2.gz LFUQSVIVDZCLOZ-RQZCQDPDSA-N 0 0 595.362 7.237 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408771820 1071778237 /nfs/dbraw/zinc/77/82/37/1071778237.db2.gz KJOCNOCXONYMIW-RYAGCKGOSA-N 0 0 524.617 5.377 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032105 1071783081 /nfs/dbraw/zinc/78/30/81/1071783081.db2.gz IWFQAOGUQJXDJT-ONUQRGFXSA-N 0 0 782.743 6.481 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)sc2=N1 ZINC000409031835 1071785684 /nfs/dbraw/zinc/78/56/84/1071785684.db2.gz BPFCZJKDBQMZHW-XNMXCUJWSA-N 0 0 638.189 6.438 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408770978 1071783893 /nfs/dbraw/zinc/78/38/93/1071783893.db2.gz BMFZMDMBJSYYIL-YSMPRRRNSA-N 0 0 531.008 5.539 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)sc2=N1 ZINC000409031014 1071791242 /nfs/dbraw/zinc/79/12/42/1071791242.db2.gz FZHWBCPTRVCMFJ-VNOBABJFSA-N 0 0 672.634 7.092 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409031855 1071786043 /nfs/dbraw/zinc/78/60/43/1071786043.db2.gz BRLAIPYWJAYHFZ-HMAPJEAMSA-N 0 0 521.489 7.263 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030944 1071793218 /nfs/dbraw/zinc/79/32/18/1071793218.db2.gz FULFPAQXOWSSIA-TZUCAZQYSA-N 0 0 711.622 5.606 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408769501 1071793408 /nfs/dbraw/zinc/79/34/08/1071793408.db2.gz NBYLAPXBCGHSPA-UHFFFAOYSA-N 0 0 570.379 5.786 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4sc(=CC5=CC(=NNc6ccccc6)C=CC5=O)c(=O)n42)c2ccccc2CC3)c1 ZINC000408780954 1071820609 /nfs/dbraw/zinc/82/06/09/1071820609.db2.gz OJMDVNZDVRUMSC-CNTKCNDVSA-N 0 0 570.674 6.448 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)sc2=N1 ZINC000409037624 1071821169 /nfs/dbraw/zinc/82/11/69/1071821169.db2.gz YAEUYACDXQBWHL-XNMXCUJWSA-N 0 0 621.734 5.924 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037979 1071818871 /nfs/dbraw/zinc/81/88/71/1071818871.db2.gz ODIHTMIOKVIYOI-ZMTYCLHQSA-N 0 0 725.649 5.915 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OCC)cc2)c1C ZINC000408781269 1071818965 /nfs/dbraw/zinc/81/89/65/1071818965.db2.gz BTHXSGFXJVAFJV-USHMODERSA-N 0 0 514.622 6.159 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1O[C@H](C)CC ZINC000409037999 1071819311 /nfs/dbraw/zinc/81/93/11/1071819311.db2.gz ZFUHXJLZMGLLAC-QVASGMJFSA-N 0 0 594.318 6.369 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047269 1071826447 /nfs/dbraw/zinc/82/64/47/1071826447.db2.gz MCXYJLUFWWADPQ-ADVVJVSQSA-N 0 0 753.849 5.874 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408779975 1071826741 /nfs/dbraw/zinc/82/67/41/1071826741.db2.gz OYXQXGYZWLDIJR-HMAPJEAMSA-N 0 0 525.432 6.282 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)S2)cc1 ZINC000408779918 1071826880 /nfs/dbraw/zinc/82/68/80/1071826880.db2.gz NOSHUHKJGUMNRJ-FJNIOPPGSA-N 0 0 585.642 6.865 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408779747 1071828758 /nfs/dbraw/zinc/82/87/58/1071828758.db2.gz JQAYBUIKPJILBH-DIBXZPPDSA-N 0 0 545.035 5.345 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)sc2=N1 ZINC000409045511 1071825113 /nfs/dbraw/zinc/82/51/13/1071825113.db2.gz PSXWWCUGYGSBPX-IVQFASICSA-N 0 0 650.628 6.530 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408779368 1071830231 /nfs/dbraw/zinc/83/02/31/1071830231.db2.gz VPCMKPMTCSQHOT-MYYYXRDXSA-N 0 0 577.431 5.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409046446 1071832808 /nfs/dbraw/zinc/83/28/08/1071832808.db2.gz KFLORIGTQXPNRP-GRSHGNNSSA-N 0 0 526.905 6.547 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409045903 1071839005 /nfs/dbraw/zinc/83/90/05/1071839005.db2.gz JPCCZDRCFMSUPT-LZYBPNLTSA-N 0 0 554.874 6.958 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409044851 1071846568 /nfs/dbraw/zinc/84/65/68/1071846568.db2.gz CWBOZHKSORAZIT-SRZZPIQSSA-N 0 0 568.413 5.384 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044698 1071847443 /nfs/dbraw/zinc/84/74/43/1071847443.db2.gz OUXZFSVSZCPOKH-ITNPZBTBSA-N 0 0 711.622 5.606 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408786244 1071851677 /nfs/dbraw/zinc/85/16/77/1071851677.db2.gz MXVHGTGIMGRCFD-UHFFFAOYSA-N 0 0 595.743 8.145 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409043792 1071855754 /nfs/dbraw/zinc/85/57/54/1071855754.db2.gz ZPUITGLZBUEUDN-OUXZYKPHSA-N 0 0 573.718 5.873 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409043519 1071858792 /nfs/dbraw/zinc/85/87/92/1071858792.db2.gz RKYYOCMLVUKSGP-CVKSISIWSA-N 0 0 607.877 7.471 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC1=S ZINC000409043560 1071859464 /nfs/dbraw/zinc/85/94/64/1071859464.db2.gz MYUMNXDGMFIOLD-NVMNQCDNSA-N 0 0 680.327 6.240 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409043061 1071863160 /nfs/dbraw/zinc/86/31/60/1071863160.db2.gz ZFCUAOIAUDRJPM-PXNMLYILSA-N 0 0 527.276 7.074 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409043270 1071862510 /nfs/dbraw/zinc/86/25/10/1071862510.db2.gz DPKXTHVIIQZUAU-VCHYOVAHSA-N 0 0 542.388 7.837 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)sc2=N1 ZINC000409042843 1071863900 /nfs/dbraw/zinc/86/39/00/1071863900.db2.gz XXZLIEVWBMAAJQ-GONGWJOBSA-N 0 0 650.782 6.265 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409042927 1071864845 /nfs/dbraw/zinc/86/48/45/1071864845.db2.gz LOZYQKYOYXFSPX-GRSHGNNSSA-N 0 0 510.450 6.033 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409042598 1071867534 /nfs/dbraw/zinc/86/75/34/1071867534.db2.gz YNZSZXDCVBFJBH-UNOMPAQXSA-N 0 0 526.436 7.060 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408783669 1071869603 /nfs/dbraw/zinc/86/96/03/1071869603.db2.gz PWMRSJJMAIMCJF-FVBVXOILSA-N 0 0 526.589 5.147 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409041844 1071875828 /nfs/dbraw/zinc/87/58/28/1071875828.db2.gz VWPONPRLEZQQKZ-JAIQZWGSSA-N 0 0 524.477 6.423 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409041891 1071875878 /nfs/dbraw/zinc/87/58/78/1071875878.db2.gz KOMPLHHEAZRLFG-UHFFFAOYSA-N 0 0 677.305 7.282 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)sc2=N1 ZINC000409042007 1071874069 /nfs/dbraw/zinc/87/40/69/1071874069.db2.gz WWAYHBBWYBXQPO-DDBFQISPSA-N 0 0 547.680 5.359 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1 ZINC000409041356 1071882590 /nfs/dbraw/zinc/88/25/90/1071882590.db2.gz VCVCCEQAVDPZEL-YBEGLDIGSA-N 0 0 522.857 6.429 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000408791495 1071889846 /nfs/dbraw/zinc/88/98/46/1071889846.db2.gz ZHAOWDOHGIKPBN-NBQDTTAVSA-N 0 0 657.552 6.470 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408791215 1071891723 /nfs/dbraw/zinc/89/17/23/1071891723.db2.gz XHTAIUAOZMFIIT-UHFFFAOYSA-N 0 0 623.996 7.808 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409038638 1071905727 /nfs/dbraw/zinc/90/57/27/1071905727.db2.gz AISADCAMBWLZPH-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408787347 1071900840 /nfs/dbraw/zinc/90/08/40/1071900840.db2.gz YFMATOBANALZTJ-XFPFAXQNSA-N 0 0 741.695 7.380 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409038565 1071907853 /nfs/dbraw/zinc/90/78/53/1071907853.db2.gz PIBPGEZRIGTIOB-CXUHLZMHSA-N 0 0 616.178 7.292 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)SC1=S ZINC000409038388 1071908970 /nfs/dbraw/zinc/90/89/70/1071908970.db2.gz OSKZIMCMNFETJM-GRSHGNNSSA-N 0 0 588.330 6.490 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409038410 1071909472 /nfs/dbraw/zinc/90/94/72/1071909472.db2.gz VGKVIANNEKPPFI-VXLYETTFSA-N 0 0 593.404 8.941 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409050599 1071911233 /nfs/dbraw/zinc/91/12/33/1071911233.db2.gz XPKWRHGHZZJQOG-WZUFQYTHSA-N 0 0 612.143 5.655 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409050628 1071911810 /nfs/dbraw/zinc/91/18/10/1071911810.db2.gz XXQUVKMPZSMICE-CHHVJCJISA-N 0 0 545.266 7.213 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409056893 1071918258 /nfs/dbraw/zinc/91/82/58/1071918258.db2.gz FDUZPWRNUFGKKC-QFEZKATASA-N 0 0 505.014 5.937 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409056785 1071919310 /nfs/dbraw/zinc/91/93/10/1071919310.db2.gz IKIOGKFGXNVTLX-FMCGGJTJSA-N 0 0 514.931 6.644 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(OC)c(OC)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409056732 1071919357 /nfs/dbraw/zinc/91/93/57/1071919357.db2.gz NOELHLUUVFBFCP-XYGWBWBKSA-N 0 0 516.594 5.387 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409056746 1071919397 /nfs/dbraw/zinc/91/93/97/1071919397.db2.gz NOSQFBXKDRZYBU-JAIQZWGSSA-N 0 0 545.850 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409056175 1071923221 /nfs/dbraw/zinc/92/32/21/1071923221.db2.gz GMMVZEWGQIUHEW-JAIQZWGSSA-N 0 0 545.850 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409055979 1071925213 /nfs/dbraw/zinc/92/52/13/1071925213.db2.gz BVVPHABPIXQUTB-OYKKKHCWSA-N 0 0 505.014 5.937 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409055758 1071925597 /nfs/dbraw/zinc/92/55/97/1071925597.db2.gz PSYDEBWGWBTKEU-VVLSBWROSA-N 0 0 562.739 5.598 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409055756 1071925688 /nfs/dbraw/zinc/92/56/88/1071925688.db2.gz PSYDEBWGWBTKEU-MRIAHPSYSA-N 0 0 562.739 5.598 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCC ZINC000409055051 1071931186 /nfs/dbraw/zinc/93/11/86/1071931186.db2.gz XUHGBFHRAZLKRU-UNOMPAQXSA-N 0 0 539.460 5.798 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)SC2=S)cc1 ZINC000409053053 1071943434 /nfs/dbraw/zinc/94/34/34/1071943434.db2.gz JPZDPIFDIKUITO-FMCGGJTJSA-N 0 0 579.368 8.045 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409051695 1071950311 /nfs/dbraw/zinc/95/03/11/1071950311.db2.gz FQAQZPBBHSNDOG-MYYYXRDXSA-N 0 0 615.558 7.287 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C1=O ZINC000409048695 1071968282 /nfs/dbraw/zinc/96/82/82/1071968282.db2.gz UPYBKHMNTVWJCB-VCHYOVAHSA-N 0 0 550.225 6.854 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(I)c1OCc1ccccc1F ZINC000409047561 1071978769 /nfs/dbraw/zinc/97/87/69/1071978769.db2.gz UVBJVZKTKNMXRX-AUWJEWJLSA-N 0 0 681.168 7.273 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000409047958 1071974409 /nfs/dbraw/zinc/97/44/09/1071974409.db2.gz NUSQUNQYUHBRGI-ZTJHJZSNSA-N 0 0 642.580 6.441 40 10 KKCBRN CCOC(=O)c1ccc(COc2cccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2)cc1 ZINC000409047810 1071975463 /nfs/dbraw/zinc/97/54/63/1071975463.db2.gz UXVONEHNPPWKNA-UNOMPAQXSA-N 0 0 530.449 5.944 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409059439 1071980958 /nfs/dbraw/zinc/98/09/58/1071980958.db2.gz NIXQMGOGCRTBLR-UUYOSTAYSA-N 0 0 511.405 6.287 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409058825 1071984860 /nfs/dbraw/zinc/98/48/60/1071984860.db2.gz LLDAYKLSIXVCRH-YNMQQHPQSA-N 0 0 580.150 5.149 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409065549 1072008436 /nfs/dbraw/zinc/00/84/36/1072008436.db2.gz JGWWAMVYVIIDFA-UHFFFAOYSA-N 0 0 589.025 5.700 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409065298 1072010944 /nfs/dbraw/zinc/01/09/44/1072010944.db2.gz FRWFTJWDGVIZAI-BTQMPKOASA-N 0 0 591.777 6.049 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409064895 1072011367 /nfs/dbraw/zinc/01/13/67/1072011367.db2.gz QSCRGIYPCTYUPJ-ASZNLBCTSA-N 0 0 576.118 5.258 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C ZINC000409063208 1072022460 /nfs/dbraw/zinc/02/24/60/1072022460.db2.gz IQEVPJHGHOOOGS-USHMODERSA-N 0 0 519.670 6.768 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409062574 1072023371 /nfs/dbraw/zinc/02/33/71/1072023371.db2.gz WZESCSWKSDFUPS-QQXSKIMKSA-N 0 0 519.041 5.980 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061519 1072029911 /nfs/dbraw/zinc/02/99/11/1072029911.db2.gz DXFOILHBZVMLMP-UUYOSTAYSA-N 0 0 555.856 6.396 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409060560 1072033728 /nfs/dbraw/zinc/03/37/28/1072033728.db2.gz UNVXITQBWDPKBB-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409076463 1072050422 /nfs/dbraw/zinc/05/04/22/1072050422.db2.gz BGULKCWYGSVLNT-CFKHXJFWSA-N 0 0 540.504 6.562 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409076324 1072051836 /nfs/dbraw/zinc/05/18/36/1072051836.db2.gz ASIABCKFQUWSQA-UMUMUWHJSA-N 0 0 615.942 6.303 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409071809 1072086626 /nfs/dbraw/zinc/08/66/26/1072086626.db2.gz PSBXCUUQQUNRPI-MYKKPKGFSA-N 0 0 509.433 6.895 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409070616 1072093712 /nfs/dbraw/zinc/09/37/12/1072093712.db2.gz CTFXFHYAWFDALC-CVKSISIWSA-N 0 0 545.020 6.904 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409068102 1072113093 /nfs/dbraw/zinc/11/30/93/1072113093.db2.gz KDWKNXZONOWOJF-MAKYVFJGSA-N 0 0 593.749 5.243 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067823 1072114793 /nfs/dbraw/zinc/11/47/93/1072114793.db2.gz RICKZSHQLHQHFN-FYJGNVAPSA-N 0 0 575.868 6.075 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409067715 1072116139 /nfs/dbraw/zinc/11/61/39/1072116139.db2.gz ZCDWLNSRQVGPAK-FUFNRSNVSA-N 0 0 576.118 5.258 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409080317 1072125209 /nfs/dbraw/zinc/12/52/09/1072125209.db2.gz MYJDGANVTJSYLJ-UHFFFAOYSA-N 0 0 555.055 6.676 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080002 1072127882 /nfs/dbraw/zinc/12/78/82/1072127882.db2.gz HIWVEBSIPCFMDY-DEDYPNTBSA-N 0 0 511.456 6.611 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409079993 1072127884 /nfs/dbraw/zinc/12/78/84/1072127884.db2.gz CRTONYCNWXGUTP-WXKAHTKJSA-N 0 0 646.769 5.385 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409087084 1072158218 /nfs/dbraw/zinc/15/82/18/1072158218.db2.gz GEYJESSFNSKFJX-VBNMEBLOSA-N 0 0 538.460 5.556 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409077495 1072154815 /nfs/dbraw/zinc/15/48/15/1072154815.db2.gz FQCWOWJNACJRCB-WSLMLHKMSA-N 0 0 514.883 6.606 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409086513 1072163904 /nfs/dbraw/zinc/16/39/04/1072163904.db2.gz DZSGIMCWRTUJGJ-ISRVBRPNSA-N 0 0 535.441 5.317 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)S1 ZINC000409084990 1072183805 /nfs/dbraw/zinc/18/38/05/1072183805.db2.gz WGKZEZZVGXYLOS-FRKPEAEDSA-N 0 0 528.197 5.036 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409084824 1072185349 /nfs/dbraw/zinc/18/53/49/1072185349.db2.gz WELMMMBWXFIXPV-ONUIUJJFSA-N 0 0 553.456 7.180 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)NC1=S ZINC000409084029 1072192854 /nfs/dbraw/zinc/19/28/54/1072192854.db2.gz MAVDDUYUBLPIJH-WQRHYEAKSA-N 0 0 509.853 5.548 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084353 1072190251 /nfs/dbraw/zinc/19/02/51/1072190251.db2.gz XRJHYIWMALIJKC-XYGWBWBKSA-N 0 0 606.289 7.764 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)NC1=S ZINC000409083532 1072200068 /nfs/dbraw/zinc/20/00/68/1072200068.db2.gz VFSMPQVOSDPSDD-YVLHZVERSA-N 0 0 528.241 5.397 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000409083699 1072199085 /nfs/dbraw/zinc/19/90/85/1072199085.db2.gz VNUKZUZCCJQDGI-ASUJOLEISA-N 0 0 609.151 5.943 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082670 1072210085 /nfs/dbraw/zinc/21/00/85/1072210085.db2.gz MSVQQDNDDBUTJM-UQQQWYQISA-N 0 0 527.393 7.002 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082350 1072213482 /nfs/dbraw/zinc/21/34/82/1072213482.db2.gz PTSRUTIRYNSPMS-ITYLOYPMSA-N 0 0 509.949 6.662 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409081907 1072218441 /nfs/dbraw/zinc/21/84/41/1072218441.db2.gz QXWXDONEASZPOK-LELXDKESSA-N 0 0 521.016 5.216 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087330 1072228719 /nfs/dbraw/zinc/22/87/19/1072228719.db2.gz CDUMJKQMULLEHZ-XYGWBWBKSA-N 0 0 622.744 8.279 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409097044 1072230065 /nfs/dbraw/zinc/23/00/65/1072230065.db2.gz LKPBYXXFNOQVRV-LQKURTRISA-N 0 0 605.112 7.725 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409326396 1072247230 /nfs/dbraw/zinc/24/72/30/1072247230.db2.gz BHUSZXOIRMYDKZ-PXNMLYILSA-N 0 0 519.269 6.569 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409327111 1072241413 /nfs/dbraw/zinc/24/14/13/1072241413.db2.gz IBLIMAFNUZAEQP-MSXFZWOLSA-N 0 0 680.270 9.656 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409094923 1072243350 /nfs/dbraw/zinc/24/33/50/1072243350.db2.gz AJZZERUKKGVWOE-GRPHBVMCSA-N 0 0 639.778 5.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCC ZINC000409327094 1072243711 /nfs/dbraw/zinc/24/37/11/1072243711.db2.gz HWDZIFLXFNTJEJ-YVLHZVERSA-N 0 0 529.396 5.634 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409326911 1072244089 /nfs/dbraw/zinc/24/40/89/1072244089.db2.gz GJWLGEACGIOESB-WYMPLXKRSA-N 0 0 562.565 8.099 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409326697 1072244442 /nfs/dbraw/zinc/24/44/42/1072244442.db2.gz DKZRYJPAONIPCY-FMCGGJTJSA-N 0 0 567.670 5.749 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1 ZINC000409326696 1072244549 /nfs/dbraw/zinc/24/45/49/1072244549.db2.gz DIFJBEZZGWASDG-LFVJCYFKSA-N 0 0 503.649 5.484 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409326578 1072246265 /nfs/dbraw/zinc/24/62/65/1072246265.db2.gz CHKUFHCMTYVAJO-CVKSISIWSA-N 0 0 626.598 6.564 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409326646 1072246660 /nfs/dbraw/zinc/24/66/60/1072246660.db2.gz CYOLAGSAUYNQHK-QFEZKATASA-N 0 0 556.923 8.785 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409326630 1072246711 /nfs/dbraw/zinc/24/67/11/1072246711.db2.gz CQIPIBNNDAACBC-QRVIBDJDSA-N 0 0 543.041 6.301 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409094005 1072248769 /nfs/dbraw/zinc/24/87/69/1072248769.db2.gz CMDLGNVHNNTPAG-MFKUBSTISA-N 0 0 580.659 5.824 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409326328 1072249386 /nfs/dbraw/zinc/24/93/86/1072249386.db2.gz AHFUAHGUEKRJNM-CFRMEGHHSA-N 0 0 617.974 7.097 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)NC1=S ZINC000409092873 1072259301 /nfs/dbraw/zinc/25/93/01/1072259301.db2.gz WLGZGDHYDHLWRN-YVLHZVERSA-N 0 0 500.245 5.803 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092217 1072263518 /nfs/dbraw/zinc/26/35/18/1072263518.db2.gz TYFWRBLPEMLUPJ-SILQVNICSA-N 0 0 790.518 6.289 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409092250 1072263903 /nfs/dbraw/zinc/26/39/03/1072263903.db2.gz UPGYVSNCAPZDDC-WSLMLHKMSA-N 0 0 681.330 5.994 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)c1 ZINC000409091092 1072274750 /nfs/dbraw/zinc/27/47/50/1072274750.db2.gz TXWDGXRAFAGJDI-STBIYBPSSA-N 0 0 598.124 8.140 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)NC1=S ZINC000409091429 1072272261 /nfs/dbraw/zinc/27/22/61/1072272261.db2.gz QNVKLOLGIVQFBK-MFOYZWKCSA-N 0 0 530.271 5.811 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409089118 1072293557 /nfs/dbraw/zinc/29/35/57/1072293557.db2.gz HGXKWHYQPNPRCM-XYGWBWBKSA-N 0 0 618.325 7.634 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409088715 1072295235 /nfs/dbraw/zinc/29/52/35/1072295235.db2.gz GRDFAAZGHWFVOK-WQNUKSJVSA-N 0 0 746.465 5.890 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C2=O)cc1 ZINC000409087821 1072303416 /nfs/dbraw/zinc/30/34/16/1072303416.db2.gz KDQDIWGKMKZJBN-OKCVXOCRSA-N 0 0 650.584 8.054 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088431 1072298100 /nfs/dbraw/zinc/29/81/00/1072298100.db2.gz JJMZABKMAGTXDO-JLPGSUDCSA-N 0 0 606.289 7.764 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088105 1072300693 /nfs/dbraw/zinc/30/06/93/1072300693.db2.gz DDTPVKGDXAKEPA-XYGWBWBKSA-N 0 0 533.842 8.060 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087937 1072304768 /nfs/dbraw/zinc/30/47/68/1072304768.db2.gz VCWUNWCLBIBVPU-UHFFFAOYSA-N 0 0 729.405 7.603 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409087760 1072305762 /nfs/dbraw/zinc/30/57/62/1072305762.db2.gz ZNVJDKRJEAWRMW-ANQVYJHKSA-N 0 0 514.883 6.606 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087579 1072307150 /nfs/dbraw/zinc/30/71/50/1072307150.db2.gz CAGDJADREXVQTO-UQQQWYQISA-N 0 0 543.848 7.516 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409087912 1072304429 /nfs/dbraw/zinc/30/44/29/1072304429.db2.gz UZRKITCOGPAWTE-PADWCVLASA-N 0 0 606.334 6.557 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101915 1072311842 /nfs/dbraw/zinc/31/18/42/1072311842.db2.gz ZGAAKOYSQKSNCK-PIXWUVMMSA-N 0 0 628.025 6.471 40 10 KKCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409099667 1072323970 /nfs/dbraw/zinc/32/39/70/1072323970.db2.gz RVVNHMMITNPYEC-FYJGNVAPSA-N 0 0 543.439 6.255 40 10 KKCBRN CCOC(=O)COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1 ZINC000409099459 1072326317 /nfs/dbraw/zinc/32/63/17/1072326317.db2.gz SQYABUMKZHSPFG-OEAKJJBVSA-N 0 0 536.606 5.426 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409098978 1072328573 /nfs/dbraw/zinc/32/85/73/1072328573.db2.gz NCYVDJBFBSIOQH-NTNOMAAHSA-N 0 0 639.221 6.326 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409097896 1072334147 /nfs/dbraw/zinc/33/41/47/1072334147.db2.gz OHYWPJFOLIATOH-GWRYVSOYSA-N 0 0 637.177 5.321 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409335908 1072334918 /nfs/dbraw/zinc/33/49/18/1072334918.db2.gz ZPUQILBSHGWHCP-MTJSOVHGSA-N 0 0 564.885 7.235 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409097762 1072335465 /nfs/dbraw/zinc/33/54/65/1072335465.db2.gz OAEMLKGHFNWADS-RGFRMHDHSA-N 0 0 593.580 5.818 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000409335093 1072342124 /nfs/dbraw/zinc/34/21/24/1072342124.db2.gz YUZOOAJIDUMUHY-PXLXIMEGSA-N 0 0 528.493 7.196 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409335697 1072337527 /nfs/dbraw/zinc/33/75/27/1072337527.db2.gz YPVDKXYBCDBPHM-UUYOSTAYSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409335708 1072337702 /nfs/dbraw/zinc/33/77/02/1072337702.db2.gz YVIJJHUPQZTINK-YSMPRRRNSA-N 0 0 594.527 8.125 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OC ZINC000409097420 1072338240 /nfs/dbraw/zinc/33/82/40/1072338240.db2.gz NPGZZVAKDAQQMD-CIAFOILYSA-N 0 0 573.465 6.264 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409335396 1072339860 /nfs/dbraw/zinc/33/98/60/1072339860.db2.gz ZNVRJUMRCDZXST-RGVLZGJSSA-N 0 0 658.206 8.098 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F ZINC000409335165 1072340268 /nfs/dbraw/zinc/34/02/68/1072340268.db2.gz ZBGCVJSSPGCUPS-MTJSOVHGSA-N 0 0 595.430 6.563 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409334854 1072342521 /nfs/dbraw/zinc/34/25/21/1072342521.db2.gz WRKKTDPNVYCXDS-JJFYIABZSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335182 1072340783 /nfs/dbraw/zinc/34/07/83/1072340783.db2.gz ZFVDFTAULONILF-XKZIYDEJSA-N 0 0 616.471 6.649 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409335209 1072340860 /nfs/dbraw/zinc/34/08/60/1072340860.db2.gz ZLAGWNWBTHCJAP-UUYOSTAYSA-N 0 0 512.996 6.242 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409334699 1072343090 /nfs/dbraw/zinc/34/30/90/1072343090.db2.gz VUWNZZUMDFRXIS-MWYAZZEHSA-N 0 0 557.609 5.143 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409334818 1072344138 /nfs/dbraw/zinc/34/41/38/1072344138.db2.gz WIUJLSWZDGOCHI-QQXSKIMKSA-N 0 0 610.982 8.639 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4cccc5cccnc54)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409334557 1072344682 /nfs/dbraw/zinc/34/46/82/1072344682.db2.gz GYMVKJHFIZOHPF-RJQPNXBESA-N 0 0 596.734 5.157 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(C)c1 ZINC000409334166 1072347996 /nfs/dbraw/zinc/34/79/96/1072347996.db2.gz USIUSIOUZRCZSH-KSEXSDGBSA-N 0 0 579.368 8.358 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c1 ZINC000409334254 1072348886 /nfs/dbraw/zinc/34/88/86/1072348886.db2.gz WKEDLNWHBHGGRH-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409334078 1072349830 /nfs/dbraw/zinc/34/98/30/1072349830.db2.gz SZYNDTMFMBAYTJ-QRVIBDJDSA-N 0 0 609.394 8.448 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409334091 1072349914 /nfs/dbraw/zinc/34/99/14/1072349914.db2.gz TWUUQKGFJBMMJY-OEAKJJBVSA-N 0 0 619.571 7.397 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409332866 1072357687 /nfs/dbraw/zinc/35/76/87/1072357687.db2.gz SGVRETYLMFUAII-BKUYFWCQSA-N 0 0 530.440 6.582 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409333758 1072351650 /nfs/dbraw/zinc/35/16/50/1072351650.db2.gz VPABBIOXUDIYJX-SRZZPIQSSA-N 0 0 641.859 8.572 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333590 1072352484 /nfs/dbraw/zinc/35/24/84/1072352484.db2.gz UQUHOYVYQSJWBV-MTJSOVHGSA-N 0 0 625.791 7.858 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1 ZINC000409333592 1072352589 /nfs/dbraw/zinc/35/25/89/1072352589.db2.gz UQZYOABAWXVYHH-WPWMEQJKSA-N 0 0 532.086 7.877 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409104800 1072352983 /nfs/dbraw/zinc/35/29/83/1072352983.db2.gz FNGJIOKXNXNGCZ-PCLIKHOPSA-N 0 0 562.648 6.382 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409332924 1072357937 /nfs/dbraw/zinc/35/79/37/1072357937.db2.gz SJEGLAKWCMXGRX-XKZIYDEJSA-N 0 0 576.921 7.105 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409333517 1072354217 /nfs/dbraw/zinc/35/42/17/1072354217.db2.gz SNSZHIHPLKSCQG-WGOQTCKBSA-N 0 0 654.007 7.780 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409333267 1072354630 /nfs/dbraw/zinc/35/46/30/1072354630.db2.gz RORXYCRZIXSKQT-GIJQJNRQSA-N 0 0 545.694 8.075 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409104182 1072355714 /nfs/dbraw/zinc/35/57/14/1072355714.db2.gz GGHLTUXNHRJAMF-MAKCPWPFSA-N 0 0 525.026 5.924 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104246 1072356033 /nfs/dbraw/zinc/35/60/33/1072356033.db2.gz GUWSMVHFMQQTAS-FUYPNTDJSA-N 0 0 744.699 6.586 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000409332943 1072356402 /nfs/dbraw/zinc/35/64/02/1072356402.db2.gz SOLGCAYVHKUPIG-PXLXIMEGSA-N 0 0 575.493 7.038 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409332709 1072358832 /nfs/dbraw/zinc/35/88/32/1072358832.db2.gz RFACLHLKMNDAGD-WGARJPEWSA-N 0 0 557.568 8.133 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409332716 1072358998 /nfs/dbraw/zinc/35/89/98/1072358998.db2.gz RFBCFFUHRYWUMZ-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1C ZINC000409332523 1072359328 /nfs/dbraw/zinc/35/93/28/1072359328.db2.gz PXRXQYHUFWBTRZ-FMCGGJTJSA-N 0 0 587.948 7.143 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409103684 1072359649 /nfs/dbraw/zinc/35/96/49/1072359649.db2.gz FADREFFLKJNPPK-DMGPTTAYSA-N 0 0 537.619 5.751 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409103686 1072359684 /nfs/dbraw/zinc/35/96/84/1072359684.db2.gz FADREFFLKJNPPK-QIWJOQEQSA-N 0 0 537.619 5.751 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409332385 1072360774 /nfs/dbraw/zinc/36/07/74/1072360774.db2.gz RAHDWVMHARUAIT-CVKSISIWSA-N 0 0 592.676 6.239 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409332047 1072365543 /nfs/dbraw/zinc/36/55/43/1072365543.db2.gz PFYBJWFUKZSCEC-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409332345 1072363454 /nfs/dbraw/zinc/36/34/54/1072363454.db2.gz QUWPXJPFLPJCDU-YSMPRRRNSA-N 0 0 577.684 6.540 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409332140 1072363708 /nfs/dbraw/zinc/36/37/08/1072363708.db2.gz QCUMFDUAGFUYRL-WGARJPEWSA-N 0 0 692.427 9.135 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102838 1072364613 /nfs/dbraw/zinc/36/46/13/1072364613.db2.gz UJWAZCOMDAHODC-NTNOMAAHSA-N 0 0 649.773 5.581 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409331804 1072366128 /nfs/dbraw/zinc/36/61/28/1072366128.db2.gz NZXJVXVOPPHIBG-CHHVJCJISA-N 0 0 627.694 6.354 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409331651 1072367416 /nfs/dbraw/zinc/36/74/16/1072367416.db2.gz OTIOASFQTNPLEQ-ZRGSRPPYSA-N 0 0 562.160 6.792 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409331720 1072367856 /nfs/dbraw/zinc/36/78/56/1072367856.db2.gz PDOMWVLZTHXMLG-WPWMEQJKSA-N 0 0 590.564 8.294 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 ZINC000409107370 1072367846 /nfs/dbraw/zinc/36/78/46/1072367846.db2.gz PCQNYYXQWGATHB-MFKUBSTISA-N 0 0 503.624 5.785 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409331626 1072369265 /nfs/dbraw/zinc/36/92/65/1072369265.db2.gz NZIUIBYNOVYCAQ-PKAZHMFMSA-N 0 0 653.563 7.837 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1 ZINC000409331464 1072370311 /nfs/dbraw/zinc/37/03/11/1072370311.db2.gz NELMIGZVXXOMMG-MTJSOVHGSA-N 0 0 516.427 6.627 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409331281 1072371179 /nfs/dbraw/zinc/37/11/79/1072371179.db2.gz NQKDKWAYGIRCCV-YVNNLAQVSA-N 0 0 664.257 9.446 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S ZINC000409330774 1072374186 /nfs/dbraw/zinc/37/41/86/1072374186.db2.gz MPKCNIHSGXHDSG-HMAPJEAMSA-N 0 0 512.450 6.443 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000409330785 1072374236 /nfs/dbraw/zinc/37/42/36/1072374236.db2.gz LZOBNLXOCCLAIW-CHHVJCJISA-N 0 0 611.239 5.839 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1 ZINC000409329988 1072381484 /nfs/dbraw/zinc/38/14/84/1072381484.db2.gz IPKXRNPZMITVFC-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409329975 1072381494 /nfs/dbraw/zinc/38/14/94/1072381494.db2.gz INAFVZVXYGUWPY-OEAKJJBVSA-N 0 0 558.494 7.280 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000409329965 1072381532 /nfs/dbraw/zinc/38/15/32/1072381532.db2.gz JFHKWHSAFDQISB-UFFVCSGVSA-N 0 0 566.966 7.474 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1C ZINC000409330009 1072381550 /nfs/dbraw/zinc/38/15/50/1072381550.db2.gz JNJGMBNPSMIZBG-YDZHTSKRSA-N 0 0 632.399 7.252 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409330392 1072377589 /nfs/dbraw/zinc/37/75/89/1072377589.db2.gz LWEFWCOPNYICEV-QRVIBDJDSA-N 0 0 508.596 5.566 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409330229 1072378626 /nfs/dbraw/zinc/37/86/26/1072378626.db2.gz KANCPLYNCVARTB-NHDPSOOVSA-N 0 0 564.885 7.235 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)SC1=S ZINC000409330085 1072379867 /nfs/dbraw/zinc/37/98/67/1072379867.db2.gz KFKGPGDCALSDKY-XKZIYDEJSA-N 0 0 542.616 5.085 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409330123 1072379877 /nfs/dbraw/zinc/37/98/77/1072379877.db2.gz IZQYEOPWIDWMJM-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409330115 1072379981 /nfs/dbraw/zinc/37/99/81/1072379981.db2.gz IXBWHTBVVUTCNR-CVKSISIWSA-N 0 0 564.754 6.847 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000409329890 1072380413 /nfs/dbraw/zinc/38/04/13/1072380413.db2.gz IMMIYLJGHUBLQI-UNOMPAQXSA-N 0 0 526.905 6.691 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409329888 1072380527 /nfs/dbraw/zinc/38/05/27/1072380527.db2.gz ILZNDYHNEDBDCH-MYKKPKGFSA-N 0 0 652.419 7.805 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409329792 1072382603 /nfs/dbraw/zinc/38/26/03/1072382603.db2.gz IIOZEEJMBAGLFS-HMAPJEAMSA-N 0 0 526.477 6.751 40 10 KKCBRN O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329513 1072384404 /nfs/dbraw/zinc/38/44/04/1072384404.db2.gz DXYFMKRFVAAQBM-KEBDBYFISA-N 0 0 607.313 8.036 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409329490 1072384494 /nfs/dbraw/zinc/38/44/94/1072384494.db2.gz GMIDZSRPJZHWEN-FSJBWODESA-N 0 0 605.919 7.394 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329545 1072384773 /nfs/dbraw/zinc/38/47/73/1072384773.db2.gz FQMWSWFYBZFTMS-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329517 1072384838 /nfs/dbraw/zinc/38/48/38/1072384838.db2.gz DYWZINSZAUIZOQ-BOPFTXTBSA-N 0 0 508.871 7.253 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409329553 1072384923 /nfs/dbraw/zinc/38/49/23/1072384923.db2.gz FVHSELJVOWSOAV-WGARJPEWSA-N 0 0 692.427 9.135 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329320 1072385361 /nfs/dbraw/zinc/38/53/61/1072385361.db2.gz DTZAPLKRPZSMBI-KSEXSDGBSA-N 0 0 529.901 8.056 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409329306 1072385383 /nfs/dbraw/zinc/38/53/83/1072385383.db2.gz DJTVHCRRDBWAHK-KSEXSDGBSA-N 0 0 546.998 7.907 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409329177 1072386110 /nfs/dbraw/zinc/38/61/10/1072386110.db2.gz DMCPMKWAOTYXKW-VEILYXNESA-N 0 0 570.692 6.670 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409329026 1072387535 /nfs/dbraw/zinc/38/75/35/1072387535.db2.gz CHFDBQCTIMZYJO-YDZHTSKRSA-N 0 0 515.487 7.044 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409329037 1072387661 /nfs/dbraw/zinc/38/76/61/1072387661.db2.gz CHXWZUXFXNNLPL-FOKLQQMPSA-N 0 0 523.998 6.796 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2OC)cc1 ZINC000409329128 1072387916 /nfs/dbraw/zinc/38/79/16/1072387916.db2.gz CWFPVFRWSYPWBR-MYYYXRDXSA-N 0 0 596.130 5.783 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409112656 1072387915 /nfs/dbraw/zinc/38/79/15/1072387915.db2.gz FVPPDLXCLVRPQQ-OEAKJJBVSA-N 0 0 508.596 5.891 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409329140 1072388385 /nfs/dbraw/zinc/38/83/85/1072388385.db2.gz CYHHPQDZWXNEAM-CIAFOILYSA-N 0 0 549.888 6.772 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000409329142 1072388568 /nfs/dbraw/zinc/38/85/68/1072388568.db2.gz CZDQVSWYBISPTK-LPYMAVHISA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409328830 1072390393 /nfs/dbraw/zinc/39/03/93/1072390393.db2.gz BCSGPXXJQHVMTR-CFRMEGHHSA-N 0 0 601.519 6.637 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328584 1072390921 /nfs/dbraw/zinc/39/09/21/1072390921.db2.gz XYANRBBKGATYIA-CIAFOILYSA-N 0 0 625.791 7.858 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409328676 1072391314 /nfs/dbraw/zinc/39/13/14/1072391314.db2.gz ZTBABIJLCXKJQL-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409328615 1072391359 /nfs/dbraw/zinc/39/13/59/1072391359.db2.gz YTZCCESQYNTGAG-RQZCQDPDSA-N 0 0 531.961 5.715 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409328679 1072391374 /nfs/dbraw/zinc/39/13/74/1072391374.db2.gz ZTLPUTAUUVAZGU-UKWGHVSLSA-N 0 0 571.385 8.119 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409328656 1072391417 /nfs/dbraw/zinc/39/14/17/1072391417.db2.gz ZMTCBLFXLLXKDU-LDADJPATSA-N 0 0 525.433 5.803 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409328419 1072391831 /nfs/dbraw/zinc/39/18/31/1072391831.db2.gz UWGODJQDCXZKJL-FMCGGJTJSA-N 0 0 572.926 7.196 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1 ZINC000409328491 1072392287 /nfs/dbraw/zinc/39/22/87/1072392287.db2.gz WJLWFWGZIVXKFJ-HMAPJEAMSA-N 0 0 512.450 6.443 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409328556 1072393296 /nfs/dbraw/zinc/39/32/96/1072393296.db2.gz XNPYJGAOZHVYQF-YSURURNPSA-N 0 0 514.087 7.361 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409328290 1072393304 /nfs/dbraw/zinc/39/33/04/1072393304.db2.gz RKVVJWMGHCRMLJ-QQXSKIMKSA-N 0 0 566.531 8.530 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409328263 1072395233 /nfs/dbraw/zinc/39/52/33/1072395233.db2.gz QVYKXVZYCAILQP-JMIUGGIZSA-N 0 0 723.317 7.899 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S ZINC000409327923 1072397350 /nfs/dbraw/zinc/39/73/50/1072397350.db2.gz NPRSTLRNSCYTHV-CIAFOILYSA-N 0 0 532.521 6.820 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409327796 1072398734 /nfs/dbraw/zinc/39/87/34/1072398734.db2.gz NDAPCDSGAYZHJD-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1 ZINC000409327449 1072401297 /nfs/dbraw/zinc/40/12/97/1072401297.db2.gz JVEUHDYUKJXOHB-JMIUGGIZSA-N 0 0 520.485 6.951 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409108817 1072405195 /nfs/dbraw/zinc/40/51/95/1072405195.db2.gz WFVAVGYGMSHIJB-LQKURTRISA-N 0 0 529.999 6.559 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108623 1072406412 /nfs/dbraw/zinc/40/64/12/1072406412.db2.gz XSMAYAWXLLMSLQ-LQVXTOPASA-N 0 0 630.814 6.187 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409347017 1072410782 /nfs/dbraw/zinc/41/07/82/1072410782.db2.gz PJZGITIEQISEHX-JJFYIABZSA-N 0 0 657.808 8.388 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409107834 1072411139 /nfs/dbraw/zinc/41/11/39/1072411139.db2.gz RFMIIJRILJYIGD-NDZAJKAJSA-N 0 0 577.706 7.795 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409346869 1072411731 /nfs/dbraw/zinc/41/17/31/1072411731.db2.gz LSGOSFGRKSARJQ-OGLMXYFKSA-N 0 0 543.735 7.945 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409346868 1072411798 /nfs/dbraw/zinc/41/17/98/1072411798.db2.gz OPSXGAUBCYRYFQ-XKZIYDEJSA-N 0 0 591.467 6.732 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409346927 1072412424 /nfs/dbraw/zinc/41/24/24/1072412424.db2.gz LTWRRPMRZQUKIV-AFUMVMLFSA-N 0 0 563.657 6.150 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107610 1072413336 /nfs/dbraw/zinc/41/33/36/1072413336.db2.gz WYOTWDWQEHBIER-VZVSMJQGSA-N 0 0 647.845 5.739 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409346566 1072414444 /nfs/dbraw/zinc/41/44/44/1072414444.db2.gz LKSIJUWJKKLZAH-YBFXNURJSA-N 0 0 561.016 5.015 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc(Cl)cc1 ZINC000409346585 1072414464 /nfs/dbraw/zinc/41/44/64/1072414464.db2.gz NXBSYWVRORJGQJ-CIAFOILYSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409346648 1072415096 /nfs/dbraw/zinc/41/50/96/1072415096.db2.gz LTBQLCQWMYBNRC-BKUYFWCQSA-N 0 0 574.683 5.499 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409123219 1072416905 /nfs/dbraw/zinc/41/69/05/1072416905.db2.gz APFZSIFGUVRCBM-QQXSKIMKSA-N 0 0 597.987 7.580 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000409122969 1072418972 /nfs/dbraw/zinc/41/89/72/1072418972.db2.gz CUFZTNCSIVGVSF-PKAZHMFMSA-N 0 0 530.646 6.279 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409346081 1072419766 /nfs/dbraw/zinc/41/97/66/1072419766.db2.gz MOOPBUBBPQRPAI-LPYMAVHISA-N 0 0 578.912 7.625 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409345839 1072420055 /nfs/dbraw/zinc/42/00/55/1072420055.db2.gz KBOFQLSVVIRRGV-YDZHTSKRSA-N 0 0 553.574 6.108 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409345900 1072420766 /nfs/dbraw/zinc/42/07/66/1072420766.db2.gz MQYCOEFWKMTZHK-SSDVNMTOSA-N 0 0 526.433 6.163 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409345867 1072420788 /nfs/dbraw/zinc/42/07/88/1072420788.db2.gz LQWNIBCOQWLPGJ-MXAYSNPKSA-N 0 0 519.047 6.786 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3OC)SC2=S)cc1 ZINC000409345674 1072421691 /nfs/dbraw/zinc/42/16/91/1072421691.db2.gz ISYXUBXZHGIGQJ-VULFUBBASA-N 0 0 505.705 6.968 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409345687 1072421697 /nfs/dbraw/zinc/42/16/97/1072421697.db2.gz IUEXLRLXNIUZSS-UCQKPKSFSA-N 0 0 544.467 6.972 40 10 KKCBRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)c1 ZINC000409345730 1072422248 /nfs/dbraw/zinc/42/22/48/1072422248.db2.gz NGZYHCHJTKKKDI-REHNQOOKSA-N 0 0 513.627 5.761 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409345507 1072422622 /nfs/dbraw/zinc/42/26/22/1072422622.db2.gz IZTXXVQSZPVVQT-QRVIBDJDSA-N 0 0 537.575 5.887 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409345557 1072423297 /nfs/dbraw/zinc/42/32/97/1072423297.db2.gz JGLFQQUJCAKEJL-YVNNLAQVSA-N 0 0 602.444 6.259 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409345624 1072423650 /nfs/dbraw/zinc/42/36/50/1072423650.db2.gz IKGAECPJGFZDMZ-YDZHTSKRSA-N 0 0 516.015 6.481 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)c1 ZINC000409345617 1072423682 /nfs/dbraw/zinc/42/36/82/1072423682.db2.gz IIZFNLIJIJNONM-MYYYXRDXSA-N 0 0 504.677 7.265 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)SC2=S)cc1Cl ZINC000409345209 1072425181 /nfs/dbraw/zinc/42/51/81/1072425181.db2.gz KMCAQTVZJXKGFT-AUEPDCJTSA-N 0 0 654.391 7.196 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409345122 1072426976 /nfs/dbraw/zinc/42/69/76/1072426976.db2.gz JYKXXTFUOJQKCI-WGOQTCKBSA-N 0 0 561.084 6.627 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1C ZINC000409344900 1072429355 /nfs/dbraw/zinc/42/93/55/1072429355.db2.gz JNCLPLRLKJKVSW-UCQKPKSFSA-N 0 0 552.077 5.521 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409344647 1072430239 /nfs/dbraw/zinc/43/02/39/1072430239.db2.gz HWYCLKLLTGVZGK-WOJGMQOQSA-N 0 0 525.433 5.721 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409344486 1072431130 /nfs/dbraw/zinc/43/11/30/1072431130.db2.gz JNERQWAACQJLND-SSDVNMTOSA-N 0 0 640.364 8.048 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409344603 1072431755 /nfs/dbraw/zinc/43/17/55/1072431755.db2.gz HNGRMZNMKQSRRF-ZDLGFXPLSA-N 0 0 555.353 7.042 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409344399 1072432880 /nfs/dbraw/zinc/43/28/80/1072432880.db2.gz JIOLEDROMDRNNY-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409344426 1072432944 /nfs/dbraw/zinc/43/29/44/1072432944.db2.gz JENAHBZOUBOEOY-VULFUBBASA-N 0 0 645.427 9.293 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409344238 1072433786 /nfs/dbraw/zinc/43/37/86/1072433786.db2.gz IJOKGLBNOMJQQK-VXLYETTFSA-N 0 0 534.402 6.503 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409344263 1072433803 /nfs/dbraw/zinc/43/38/03/1072433803.db2.gz INXQIIYQPUMUIY-JAIQZWGSSA-N 0 0 538.969 6.529 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)OC ZINC000409344314 1072434524 /nfs/dbraw/zinc/43/45/24/1072434524.db2.gz IQSAMAJGUCIDAW-YBFXNURJSA-N 0 0 536.469 5.422 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409343941 1072436204 /nfs/dbraw/zinc/43/62/04/1072436204.db2.gz DXCRFPPSSBMIOX-MFOYZWKCSA-N 0 0 623.412 5.666 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409343997 1072436668 /nfs/dbraw/zinc/43/66/68/1072436668.db2.gz FCTXKJYUHWAGCA-VCHYOVAHSA-N 0 0 511.249 7.422 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409343651 1072439112 /nfs/dbraw/zinc/43/91/12/1072439112.db2.gz IJZXFSHUVJQZHX-FYJGNVAPSA-N 0 0 503.045 5.146 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409343685 1072439130 /nfs/dbraw/zinc/43/91/30/1072439130.db2.gz FWAGSBMKLFIYDJ-ZVHZXABRSA-N 0 0 522.623 5.956 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409343312 1072440779 /nfs/dbraw/zinc/44/07/79/1072440779.db2.gz GKYFBQRGDHGMMH-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409343566 1072440806 /nfs/dbraw/zinc/44/08/06/1072440806.db2.gz DXHIHUYWZWIUCL-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1C ZINC000409343595 1072440837 /nfs/dbraw/zinc/44/08/37/1072440837.db2.gz HNXOPZYRMKHABI-YDZHTSKRSA-N 0 0 544.923 7.704 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409343440 1072441824 /nfs/dbraw/zinc/44/18/24/1072441824.db2.gz GUTONLWVLMZWEC-WGOQTCKBSA-N 0 0 655.433 8.748 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409343017 1072442998 /nfs/dbraw/zinc/44/29/98/1072442998.db2.gz GGDBVMNRPHEXAP-MTDXEUNCSA-N 0 0 554.693 6.970 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409343258 1072443029 /nfs/dbraw/zinc/44/30/29/1072443029.db2.gz DETKEUJHYXZSFS-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409342903 1072444921 /nfs/dbraw/zinc/44/49/21/1072444921.db2.gz FESDZJPZQHNJRY-NDENLUEZSA-N 0 0 700.317 6.789 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409342853 1072446993 /nfs/dbraw/zinc/44/69/93/1072446993.db2.gz FPUQJXUWKBRFRZ-BRJLIKDPSA-N 0 0 676.014 7.280 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409342696 1072448085 /nfs/dbraw/zinc/44/80/85/1072448085.db2.gz DVDCNUKEHGJVPL-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)SC2=S)cc1Cl ZINC000409342499 1072448681 /nfs/dbraw/zinc/44/86/81/1072448681.db2.gz DOIALRDPINPBIT-MXAYSNPKSA-N 0 0 505.064 7.066 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409342489 1072448694 /nfs/dbraw/zinc/44/86/94/1072448694.db2.gz DNETZJVXNWRDRL-YZSQISJMSA-N 0 0 547.702 5.667 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1Cc1ccccc1 ZINC000409342300 1072449050 /nfs/dbraw/zinc/44/90/50/1072449050.db2.gz BJIAZQKWBCEGSR-BKUYFWCQSA-N 0 0 669.347 6.876 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409126778 1072450992 /nfs/dbraw/zinc/45/09/92/1072450992.db2.gz PGZRJGHGMOQFKA-UXHLAJHPSA-N 0 0 591.560 8.649 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342253 1072450894 /nfs/dbraw/zinc/45/08/94/1072450894.db2.gz CYKMRWOYFRZGCQ-QRVIBDJDSA-N 0 0 560.575 7.206 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000409342014 1072451487 /nfs/dbraw/zinc/45/14/87/1072451487.db2.gz CRWMLMRBCAMOFA-JMIUGGIZSA-N 0 0 536.940 7.465 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c3cc(Br)ccc32)cc1 ZINC000409126428 1072452546 /nfs/dbraw/zinc/45/25/46/1072452546.db2.gz OARWQJPMMDHQCA-FMCGGJTJSA-N 0 0 529.525 6.648 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342133 1072452607 /nfs/dbraw/zinc/45/26/07/1072452607.db2.gz ACCHVBJLGZXQAE-OEAKJJBVSA-N 0 0 691.525 5.732 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409341772 1072454970 /nfs/dbraw/zinc/45/49/70/1072454970.db2.gz BZJYXRMVYDHYTM-ROTLSHHCSA-N 0 0 520.676 6.867 40 10 KKCBRN Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409341811 1072455394 /nfs/dbraw/zinc/45/53/94/1072455394.db2.gz FSYJWGBWZGZFIT-REHNQOOKSA-N 0 0 513.627 5.761 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409341425 1072457308 /nfs/dbraw/zinc/45/73/08/1072457308.db2.gz BOZPAXHZTCWDPO-IWIPYMOSSA-N 0 0 519.489 7.166 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409341485 1072458003 /nfs/dbraw/zinc/45/80/03/1072458003.db2.gz BHIKKSPNOUMOMB-QQXSKIMKSA-N 0 0 502.060 7.786 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409341515 1072458042 /nfs/dbraw/zinc/45/80/42/1072458042.db2.gz BKURWBPWMCXAFU-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000409125737 1072458586 /nfs/dbraw/zinc/45/85/86/1072458586.db2.gz ASOUNJFUBGADLF-UQQQWYQISA-N 0 0 505.064 7.170 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409341273 1072458592 /nfs/dbraw/zinc/45/85/92/1072458592.db2.gz AUTNUSOQTZMVHD-YVNNLAQVSA-N 0 0 592.438 7.407 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1 ZINC000409341371 1072459848 /nfs/dbraw/zinc/45/98/48/1072459848.db2.gz AFCSPTWRFFOCFS-LFVJCYFKSA-N 0 0 504.633 5.817 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000409341258 1072461035 /nfs/dbraw/zinc/46/10/35/1072461035.db2.gz AMKOMVHKBLMCOK-UDWIEESQSA-N 0 0 548.867 6.945 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409125201 1072461317 /nfs/dbraw/zinc/46/13/17/1072461317.db2.gz LIADCJUBFOVXKP-XKZIYDEJSA-N 0 0 606.325 7.134 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000409124950 1072463381 /nfs/dbraw/zinc/46/33/81/1072463381.db2.gz CNDFMPVQRQACFZ-XYGWBWBKSA-N 0 0 533.719 5.626 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409340540 1072464700 /nfs/dbraw/zinc/46/47/00/1072464700.db2.gz YVBQAKHFARYZGD-PKAZHMFMSA-N 0 0 540.666 6.580 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409340562 1072464743 /nfs/dbraw/zinc/46/47/43/1072464743.db2.gz ZIISLPFITRGJDG-RMORIDSASA-N 0 0 608.797 8.818 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409340418 1072466312 /nfs/dbraw/zinc/46/63/12/1072466312.db2.gz WVWBNCWEOCOYEJ-OYKKKHCWSA-N 0 0 565.629 5.425 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409340245 1072467295 /nfs/dbraw/zinc/46/72/95/1072467295.db2.gz SUBOGOZLZIJGGB-ZVHZXABRSA-N 0 0 503.580 6.451 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409340139 1072468585 /nfs/dbraw/zinc/46/85/85/1072468585.db2.gz RAEDZJMIYWOLMJ-NKVSQWTQSA-N 0 0 571.334 8.294 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339967 1072469718 /nfs/dbraw/zinc/46/97/18/1072469718.db2.gz NPGNLVWSNDKGHU-UCQKPKSFSA-N 0 0 558.494 7.280 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409340084 1072470657 /nfs/dbraw/zinc/47/06/57/1072470657.db2.gz QEZXJSOHMBSNQA-PXNMLYILSA-N 0 0 519.269 6.222 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339818 1072471311 /nfs/dbraw/zinc/47/13/11/1072471311.db2.gz YYSZFCFINSQDMX-OEAKJJBVSA-N 0 0 601.500 6.749 40 10 KKCBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409339829 1072471324 /nfs/dbraw/zinc/47/13/24/1072471324.db2.gz ZEXVGTNHODUADK-XDHOZWIPSA-N 0 0 525.433 5.490 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409339875 1072471835 /nfs/dbraw/zinc/47/18/35/1072471835.db2.gz MFYUBPAPCPYXRP-LICLKQGHSA-N 0 0 543.473 5.826 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339734 1072472967 /nfs/dbraw/zinc/47/29/67/1072472967.db2.gz LLCLCMMYZTVOKP-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409137240 1072472898 /nfs/dbraw/zinc/47/28/98/1072472898.db2.gz WCDXZCWJTCFLID-XKZIYDEJSA-N 0 0 546.556 5.808 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409137263 1072473562 /nfs/dbraw/zinc/47/35/62/1072473562.db2.gz WHBIGUGNACORMM-ONUIUJJFSA-N 0 0 547.543 7.454 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409339366 1072475339 /nfs/dbraw/zinc/47/53/39/1072475339.db2.gz UOHNTOJDAHJNCB-NDENLUEZSA-N 0 0 689.765 7.534 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409339450 1072475772 /nfs/dbraw/zinc/47/57/72/1072475772.db2.gz IEHBGNBKEJGSBS-CIAFOILYSA-N 0 0 532.521 6.820 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339443 1072475785 /nfs/dbraw/zinc/47/57/85/1072475785.db2.gz ICDXFVIJWQXIIU-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1Cl ZINC000409339433 1072475791 /nfs/dbraw/zinc/47/57/91/1072475791.db2.gz VPQASPDHYRCJJL-JJFYIABZSA-N 0 0 564.885 7.235 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409339283 1072477153 /nfs/dbraw/zinc/47/71/53/1072477153.db2.gz GVXJUBCZPKPFHO-VIZOYTHASA-N 0 0 549.693 6.288 40 10 KKCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000409339330 1072477557 /nfs/dbraw/zinc/47/75/57/1072477557.db2.gz HKACSFIBZKXKPE-RGVLZGJSSA-N 0 0 518.841 6.971 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339324 1072477572 /nfs/dbraw/zinc/47/75/72/1072477572.db2.gz HHZJCYMROQDEPE-FOKLQQMPSA-N 0 0 529.901 8.056 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1 ZINC000409339076 1072478144 /nfs/dbraw/zinc/47/81/44/1072478144.db2.gz DUUZCUNARSJBEU-HAHDFKILSA-N 0 0 525.493 6.500 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1C1CCCCC1 ZINC000409339169 1072478625 /nfs/dbraw/zinc/47/86/25/1072478625.db2.gz FKDYVBSZUNAZCX-NDENLUEZSA-N 0 0 661.368 7.009 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409338947 1072479167 /nfs/dbraw/zinc/47/91/67/1072479167.db2.gz CKFPVDLPWSOZTL-YSMPRRRNSA-N 0 0 668.534 7.736 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409338922 1072481889 /nfs/dbraw/zinc/48/18/89/1072481889.db2.gz QTTZWESXYHBNSM-XYGWBWBKSA-N 0 0 534.659 5.528 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409338561 1072484056 /nfs/dbraw/zinc/48/40/56/1072484056.db2.gz MBNWPYIKNGWUNP-FBHDLOMBSA-N 0 0 615.785 8.403 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409338590 1072484098 /nfs/dbraw/zinc/48/40/98/1072484098.db2.gz MQJSYBKVCFODKC-KGENOOAVSA-N 0 0 542.616 5.085 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409338427 1072485642 /nfs/dbraw/zinc/48/56/42/1072485642.db2.gz JROAISVXPXWFHZ-UFWORHAWSA-N 0 0 531.974 5.595 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409338442 1072486053 /nfs/dbraw/zinc/48/60/53/1072486053.db2.gz KALSDDBGQMRGPL-JAIQZWGSSA-N 0 0 640.762 7.758 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)SC1=S ZINC000409134756 1072489933 /nfs/dbraw/zinc/48/99/33/1072489933.db2.gz POCWTQSKVMZPCZ-MTJSOVHGSA-N 0 0 501.471 6.012 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409337762 1072490418 /nfs/dbraw/zinc/49/04/18/1072490418.db2.gz VCFWDTOWKOMUOO-UHFFFAOYSA-N 0 0 639.696 7.012 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000409337815 1072491028 /nfs/dbraw/zinc/49/10/28/1072491028.db2.gz WOCNKBCLOWXAJG-QVUQXXGTSA-N 0 0 517.655 5.123 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409134132 1072493869 /nfs/dbraw/zinc/49/38/69/1072493869.db2.gz NHCOYHWYBBHOSQ-XBPUZACXSA-N 0 0 562.555 5.073 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409356402 1072503300 /nfs/dbraw/zinc/50/33/00/1072503300.db2.gz GFVWSYOHXVGKOH-DHRITJCHSA-N 0 0 545.617 5.862 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409131982 1072506807 /nfs/dbraw/zinc/50/68/07/1072506807.db2.gz QDHPNUNYCDDCDQ-COEJQBHMSA-N 0 0 571.743 6.688 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409131136 1072512112 /nfs/dbraw/zinc/51/21/12/1072512112.db2.gz NHFCQIHYIZNOIR-IWIPYMOSSA-N 0 0 533.516 7.420 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409130748 1072512985 /nfs/dbraw/zinc/51/29/85/1072512985.db2.gz WFJUUYUCLUFMPX-MXAYSNPKSA-N 0 0 585.951 7.689 40 10 KKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409354510 1072515451 /nfs/dbraw/zinc/51/54/51/1072515451.db2.gz GRPNQACGMYVHCM-DZIWZLNJSA-N 0 0 568.490 6.759 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409130246 1072516150 /nfs/dbraw/zinc/51/61/50/1072516150.db2.gz KYLWEKSUOMAWGQ-PKAZHMFMSA-N 0 0 515.635 5.158 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC1=S ZINC000409129930 1072517494 /nfs/dbraw/zinc/51/74/94/1072517494.db2.gz HTEGOKPFDUKZQB-OCKHKDLRSA-N 0 0 536.314 6.436 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409128948 1072523213 /nfs/dbraw/zinc/52/32/13/1072523213.db2.gz SXJYSLIVWQOFCE-MTJSOVHGSA-N 0 0 528.497 5.678 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409352930 1072525484 /nfs/dbraw/zinc/52/54/84/1072525484.db2.gz ZOLSCFRYZWKCKQ-BUVRLJJBSA-N 0 0 598.102 5.311 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409352905 1072525512 /nfs/dbraw/zinc/52/55/12/1072525512.db2.gz ZMUYBKHXMPCOBN-VIZOYTHASA-N 0 0 625.316 6.032 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409352886 1072525550 /nfs/dbraw/zinc/52/55/50/1072525550.db2.gz ZFNYAKUUZKPAJQ-VIZOYTHASA-N 0 0 549.693 6.375 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409352658 1072525970 /nfs/dbraw/zinc/52/59/70/1072525970.db2.gz YFUGAIIOUWCBSG-CIAFOILYSA-N 0 0 533.433 6.258 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352654 1072526094 /nfs/dbraw/zinc/52/60/94/1072526094.db2.gz YFGRGPVEJFUOTA-AQHIEDMUSA-N 0 0 592.342 8.304 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409352695 1072526142 /nfs/dbraw/zinc/52/61/42/1072526142.db2.gz YNEXXWYUVHJFHK-QRVIBDJDSA-N 0 0 523.452 6.997 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409127745 1072529543 /nfs/dbraw/zinc/52/95/43/1072529543.db2.gz REKWHSGOGYETTM-QRVIBDJDSA-N 0 0 527.429 6.371 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409352147 1072529886 /nfs/dbraw/zinc/52/98/86/1072529886.db2.gz WMKFJQJIVPKSAT-JMIUGGIZSA-N 0 0 547.492 6.720 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409127532 1072530046 /nfs/dbraw/zinc/53/00/46/1072530046.db2.gz NOYZFIZDZTZGHQ-UKWGHVSLSA-N 0 0 539.879 6.092 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409352199 1072530431 /nfs/dbraw/zinc/53/04/31/1072530431.db2.gz WVJNUCOVNCINFR-MYKKPKGFSA-N 0 0 531.590 5.554 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000409352179 1072530470 /nfs/dbraw/zinc/53/04/70/1072530470.db2.gz WTAZLSSOMDBJCA-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409352059 1072531447 /nfs/dbraw/zinc/53/14/47/1072531447.db2.gz VZLZCTQQBHAWOU-LSHDLFTRSA-N 0 0 590.904 6.825 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccc(Br)cc23)SC1=S ZINC000409127501 1072531552 /nfs/dbraw/zinc/53/15/52/1072531552.db2.gz MZOQOGSDUKCQDQ-LSCVHKIXSA-N 0 0 520.499 5.003 40 10 KKCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409144871 1072532433 /nfs/dbraw/zinc/53/24/33/1072532433.db2.gz PLPUWCDBJBKPTM-JAIQZWGSSA-N 0 0 515.454 5.021 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409351646 1072532775 /nfs/dbraw/zinc/53/27/75/1072532775.db2.gz VGSLGDKZPCCEML-AQHIEDMUSA-N 0 0 564.346 8.709 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144659 1072533409 /nfs/dbraw/zinc/53/34/09/1072533409.db2.gz ZCHMNYPLKXFBBZ-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409144592 1072534434 /nfs/dbraw/zinc/53/44/34/1072534434.db2.gz KXZPIISGFYSKKP-RPPGKUMJSA-N 0 0 617.620 7.420 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409144189 1072535400 /nfs/dbraw/zinc/53/54/00/1072535400.db2.gz OFUJGCMULNQTEU-CFRMEGHHSA-N 0 0 548.531 6.811 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccccc1F ZINC000409351441 1072536219 /nfs/dbraw/zinc/53/62/19/1072536219.db2.gz UKPGKLZVZIFYSD-MYYYXRDXSA-N 0 0 506.023 7.617 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409351196 1072536229 /nfs/dbraw/zinc/53/62/29/1072536229.db2.gz ZZBJEKHADPAMRP-LSFURLLWSA-N 0 0 576.530 6.549 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409351336 1072537561 /nfs/dbraw/zinc/53/75/61/1072537561.db2.gz UBQGCDPYXKHSCR-AWQFTUOYSA-N 0 0 527.420 7.826 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409143912 1072537980 /nfs/dbraw/zinc/53/79/80/1072537980.db2.gz WTKDCDPNDNNQMV-RPPGKUMJSA-N 0 0 626.200 6.205 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccccc1 ZINC000409143961 1072538068 /nfs/dbraw/zinc/53/80/68/1072538068.db2.gz NRFFFKAQXQARLX-XKZIYDEJSA-N 0 0 523.408 5.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409351125 1072538475 /nfs/dbraw/zinc/53/84/75/1072538475.db2.gz ZQEWDLFTTABFPU-YVNNLAQVSA-N 0 0 625.444 7.370 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409143845 1072539508 /nfs/dbraw/zinc/53/95/08/1072539508.db2.gz JCFODHUVHCASAV-BRJLIKDPSA-N 0 0 672.623 6.784 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409350821 1072540327 /nfs/dbraw/zinc/54/03/27/1072540327.db2.gz ZFUXKPQRBPODJC-FSJBWODESA-N 0 0 625.393 8.148 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409350827 1072540710 /nfs/dbraw/zinc/54/07/10/1072540710.db2.gz ZGAUKLQOAMHFDL-JMIUGGIZSA-N 0 0 524.492 5.609 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409350854 1072540838 /nfs/dbraw/zinc/54/08/38/1072540838.db2.gz SLDXARQILVLASQ-ZVHZXABRSA-N 0 0 508.043 6.546 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000409143341 1072541703 /nfs/dbraw/zinc/54/17/03/1072541703.db2.gz MZQYBKXOXHSGAM-JCMHNJIXSA-N 0 0 537.435 5.827 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000409350353 1072543489 /nfs/dbraw/zinc/54/34/89/1072543489.db2.gz YBMYPOAJSLTIJG-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OC ZINC000409142896 1072544103 /nfs/dbraw/zinc/54/41/03/1072544103.db2.gz DYCSWAJPSNGRDT-LICLKQGHSA-N 0 0 541.876 5.364 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409350225 1072544447 /nfs/dbraw/zinc/54/44/47/1072544447.db2.gz QXZYJNIXDLNWQA-QRVIBDJDSA-N 0 0 621.949 7.555 40 10 KKCBRN O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409350294 1072544947 /nfs/dbraw/zinc/54/49/47/1072544947.db2.gz XVMNAHDGKLCHJW-NSIKDUERSA-N 0 0 552.640 5.819 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409349916 1072546191 /nfs/dbraw/zinc/54/61/91/1072546191.db2.gz WOKBKVUAISABKU-FOKLQQMPSA-N 0 0 629.812 8.793 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409142564 1072546300 /nfs/dbraw/zinc/54/63/00/1072546300.db2.gz KVVQOFZRFLJVKT-BKUYFWCQSA-N 0 0 557.853 6.090 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000409349688 1072548329 /nfs/dbraw/zinc/54/83/29/1072548329.db2.gz VVDYPJWERKZQIM-MTJSOVHGSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409349441 1072548872 /nfs/dbraw/zinc/54/88/72/1072548872.db2.gz PYEZZKCTGCRCCK-ZDLGFXPLSA-N 0 0 510.058 5.418 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)c1 ZINC000409349717 1072548919 /nfs/dbraw/zinc/54/89/19/1072548919.db2.gz VYSJCBADJQIRMZ-YBFXNURJSA-N 0 0 533.450 6.745 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349461 1072549239 /nfs/dbraw/zinc/54/92/39/1072549239.db2.gz PMFUBBYAZDXIJR-KSEXSDGBSA-N 0 0 557.897 7.650 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409142242 1072549741 /nfs/dbraw/zinc/54/97/41/1072549741.db2.gz XAWMIZXKRYKCDZ-YUMHPJSZSA-N 0 0 583.617 7.881 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)S1)c1ccccc1 ZINC000409141868 1072550449 /nfs/dbraw/zinc/55/04/49/1072550449.db2.gz JHYGXYVSBRIORM-BKUYFWCQSA-N 0 0 619.278 6.033 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409349189 1072551200 /nfs/dbraw/zinc/55/12/00/1072551200.db2.gz UWFCUCFLMJNTII-CFRMEGHHSA-N 0 0 549.630 5.644 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409349255 1072551668 /nfs/dbraw/zinc/55/16/68/1072551668.db2.gz VEEFZCLRTRASSM-LSHDLFTRSA-N 0 0 516.427 6.707 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409349072 1072552504 /nfs/dbraw/zinc/55/25/04/1072552504.db2.gz UKPXJVDYKMVEHQ-JJFYIABZSA-N 0 0 663.364 9.158 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409349066 1072552510 /nfs/dbraw/zinc/55/25/10/1072552510.db2.gz UTMRMMIJEFTFKW-DHRITJCHSA-N 0 0 553.149 6.753 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2OC)cc1 ZINC000409349112 1072552856 /nfs/dbraw/zinc/55/28/56/1072552856.db2.gz UYSYHWIYOKUNGR-ZMOGYAJESA-N 0 0 573.523 6.988 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349119 1072552897 /nfs/dbraw/zinc/55/28/97/1072552897.db2.gz VACYOQNLDBFFKD-UFFVCSGVSA-N 0 0 630.210 8.503 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409141532 1072553662 /nfs/dbraw/zinc/55/36/62/1072553662.db2.gz IIENMTFOUTUJLG-FMCGGJTJSA-N 0 0 511.043 7.039 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409141388 1072554478 /nfs/dbraw/zinc/55/44/78/1072554478.db2.gz VCQLKILJJIOJLM-WGARJPEWSA-N 0 0 579.903 7.582 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1C ZINC000409348583 1072555230 /nfs/dbraw/zinc/55/52/30/1072555230.db2.gz NNGDVGCUOOSLRH-LSHDLFTRSA-N 0 0 658.264 9.120 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c(C)c1 ZINC000409348600 1072555638 /nfs/dbraw/zinc/55/56/38/1072555638.db2.gz PCSOWGVZCOPTKP-ROTLSHHCSA-N 0 0 523.510 8.019 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)c(Cl)c1 ZINC000409141097 1072556293 /nfs/dbraw/zinc/55/62/93/1072556293.db2.gz IRMXCSMDDMTVHH-RQZCQDPDSA-N 0 0 535.409 5.569 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409140924 1072556918 /nfs/dbraw/zinc/55/69/18/1072556918.db2.gz HAEWCAWFRWGUNH-OEAKJJBVSA-N 0 0 513.432 6.665 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409348523 1072556960 /nfs/dbraw/zinc/55/69/60/1072556960.db2.gz TVANMNXQYLJGGS-XYGWBWBKSA-N 0 0 562.510 7.596 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)OC)c(OCC)c3)SC2=S)cc1 ZINC000409348307 1072557384 /nfs/dbraw/zinc/55/73/84/1072557384.db2.gz SBZOSHNVQCZNJD-UNOMPAQXSA-N 0 0 508.017 5.095 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409348400 1072558257 /nfs/dbraw/zinc/55/82/57/1072558257.db2.gz SJSLZLZSCSZDIM-QGMBQPNBSA-N 0 0 540.482 5.137 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409348157 1072558583 /nfs/dbraw/zinc/55/85/83/1072558583.db2.gz RNABTQXFGBQMRF-LPYMAVHISA-N 0 0 605.544 7.007 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)cc1Cl ZINC000409348198 1072558637 /nfs/dbraw/zinc/55/86/37/1072558637.db2.gz RYMDRUJVRDXMQT-CHHVJCJISA-N 0 0 503.770 5.065 40 10 KKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409348215 1072558717 /nfs/dbraw/zinc/55/87/17/1072558717.db2.gz ROWGGTUBTFODSI-YVLHZVERSA-N 0 0 513.276 6.405 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S1)c1ccccc1 ZINC000409140380 1072559065 /nfs/dbraw/zinc/55/90/65/1072559065.db2.gz DWTDBWLNFMMJBW-BKUYFWCQSA-N 0 0 527.827 6.082 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409348092 1072559568 /nfs/dbraw/zinc/55/95/68/1072559568.db2.gz PANNUOULTYAEOE-FMCGGJTJSA-N 0 0 539.907 7.511 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409140123 1072560979 /nfs/dbraw/zinc/56/09/79/1072560979.db2.gz IFDPPUJPRVYICB-OPEKNORGSA-N 0 0 647.697 7.253 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)SC2=S)c(C)c1 ZINC000409347702 1072561031 /nfs/dbraw/zinc/56/10/31/1072561031.db2.gz QWIIXHCRCRFAOB-OEAKJJBVSA-N 0 0 510.478 7.051 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409347785 1072561779 /nfs/dbraw/zinc/56/17/79/1072561779.db2.gz RIDQUMGVDKVYSA-UFFVCSGVSA-N 0 0 581.480 6.384 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409347647 1072562789 /nfs/dbraw/zinc/56/27/89/1072562789.db2.gz QTLXZBMELHDXQX-UDWIEESQSA-N 0 0 732.790 6.674 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409347478 1072563823 /nfs/dbraw/zinc/56/38/23/1072563823.db2.gz MJKUYZKMVAEYPB-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c(Cl)c1 ZINC000409139301 1072566168 /nfs/dbraw/zinc/56/61/68/1072566168.db2.gz CKIVPUYFIVLCEC-VCHYOVAHSA-N 0 0 523.850 6.761 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409357733 1072568063 /nfs/dbraw/zinc/56/80/63/1072568063.db2.gz JPPYIGDYLHJFPV-DICXZTSXSA-N 0 0 571.680 6.122 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409357501 1072568109 /nfs/dbraw/zinc/56/81/09/1072568109.db2.gz JHTRPWUSWQXMKE-DHRITJCHSA-N 0 0 545.617 5.862 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 ZINC000409137669 1072574437 /nfs/dbraw/zinc/57/44/37/1072574437.db2.gz XUYXGJVYYDPWAV-BIFQTZPZSA-N 0 0 576.582 5.481 40 10 KKCBRN CN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC1=S ZINC000409146938 1072577514 /nfs/dbraw/zinc/57/75/14/1072577514.db2.gz LUUNWDDEIQDLGE-ZBKNUEDVSA-N 0 0 517.426 5.043 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc(C)c1 ZINC000409147043 1072578397 /nfs/dbraw/zinc/57/83/97/1072578397.db2.gz WBEIBUHQJRPJOF-ZMFRSBBQSA-N 0 0 548.730 6.031 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365635 1072578969 /nfs/dbraw/zinc/57/89/69/1072578969.db2.gz VFFYDSBABGMKHA-UHFFFAOYSA-N 0 0 614.029 6.479 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409146109 1072583307 /nfs/dbraw/zinc/58/33/07/1072583307.db2.gz JJXDRWJOUMYYEE-HMAPJEAMSA-N 0 0 571.880 6.481 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409157167 1072591025 /nfs/dbraw/zinc/59/10/25/1072591025.db2.gz UXNDKPSNAQZUOS-KCYKTTMJSA-N 0 0 567.257 8.448 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409363110 1072591584 /nfs/dbraw/zinc/59/15/84/1072591584.db2.gz ULJZXMIRSYIIDL-VULFUBBASA-N 0 0 541.654 6.031 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156080 1072596579 /nfs/dbraw/zinc/59/65/79/1072596579.db2.gz RIUWYPSNSMGUIF-YPCHGGDPSA-N 0 0 634.612 10.130 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409155322 1072600413 /nfs/dbraw/zinc/60/04/13/1072600413.db2.gz IGXAMSJLBDHZCA-KYTVRQNUSA-N 0 0 569.883 8.042 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000409361289 1072601427 /nfs/dbraw/zinc/60/14/27/1072601427.db2.gz CCYUYUGDIOECQL-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)ccc1Cl ZINC000409153269 1072612432 /nfs/dbraw/zinc/61/24/32/1072612432.db2.gz HKJNOVSPUKLAEX-HYARGMPZSA-N 0 0 528.030 5.182 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(F)F ZINC000409359607 1072612965 /nfs/dbraw/zinc/61/29/65/1072612965.db2.gz NCYCRNGIBBAAGZ-OCKHKDLRSA-N 0 0 508.612 5.136 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409153044 1072615257 /nfs/dbraw/zinc/61/52/57/1072615257.db2.gz KNUFDWDYVRYXRG-YPCHGGDPSA-N 0 0 633.719 9.842 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152709 1072616859 /nfs/dbraw/zinc/61/68/59/1072616859.db2.gz BQCTXCPSIYDEFQ-DLSWINDVSA-N 0 0 572.930 9.184 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152717 1072616875 /nfs/dbraw/zinc/61/68/75/1072616875.db2.gz BQCTXCPSIYDEFQ-HEHLMWRFSA-N 0 0 572.930 9.184 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)cc1 ZINC000409152758 1072616879 /nfs/dbraw/zinc/61/68/79/1072616879.db2.gz GGWCMBPBRKSIPM-QRVIBDJDSA-N 0 0 543.567 6.187 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)ccc1Cl ZINC000409152390 1072618709 /nfs/dbraw/zinc/61/87/09/1072618709.db2.gz IXFYRDRKRHOWNB-MSXFZWOLSA-N 0 0 620.049 7.008 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1C ZINC000409358167 1072622302 /nfs/dbraw/zinc/62/23/02/1072622302.db2.gz KPXPUMCDFGFRDL-MYYYXRDXSA-N 0 0 502.661 6.344 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151713 1072622873 /nfs/dbraw/zinc/62/28/73/1072622873.db2.gz BYWUEKVQMXUUBP-ATLLOTDBSA-N 0 0 599.274 9.189 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409377256 1072625498 /nfs/dbraw/zinc/62/54/98/1072625498.db2.gz HAIJXYXDNSYVEG-DXJNIWACSA-N 0 0 577.706 6.294 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409376717 1072628376 /nfs/dbraw/zinc/62/83/76/1072628376.db2.gz AHYYUHYDAGJKEU-ZDLGFXPLSA-N 0 0 502.872 6.846 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409150339 1072629541 /nfs/dbraw/zinc/62/95/41/1072629541.db2.gz BMISHMKXFAJKLD-XHNVNVPESA-N 0 0 606.300 8.087 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409149916 1072631990 /nfs/dbraw/zinc/63/19/90/1072631990.db2.gz VKIXALVHYDRNSA-ZMFRSBBQSA-N 0 0 607.754 5.170 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409149940 1072632516 /nfs/dbraw/zinc/63/25/16/1072632516.db2.gz WENXJNYOLMIRPO-YDZHTSKRSA-N 0 0 652.419 7.588 40 10 KKCBRN CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409375235 1072633244 /nfs/dbraw/zinc/63/32/44/1072633244.db2.gz HOBMOLUEOGKKOS-SFHVURJKSA-N 0 0 504.970 6.109 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409149775 1072633555 /nfs/dbraw/zinc/63/35/55/1072633555.db2.gz QMYGDFZNSGIAHQ-SRZZPIQSSA-N 0 0 593.992 6.914 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409375039 1072633853 /nfs/dbraw/zinc/63/38/53/1072633853.db2.gz DMGHJJWFWKDQSI-WQRHYEAKSA-N 0 0 525.433 5.408 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCC ZINC000409149647 1072634494 /nfs/dbraw/zinc/63/44/94/1072634494.db2.gz MDKBFZSJLFMMJT-WOJGMQOQSA-N 0 0 555.903 5.755 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409149281 1072636624 /nfs/dbraw/zinc/63/66/24/1072636624.db2.gz ALBPMSZXLOXHDE-SRZZPIQSSA-N 0 0 687.262 7.952 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409149410 1072637223 /nfs/dbraw/zinc/63/72/23/1072637223.db2.gz FNGYJDVQKYZUSD-WKULSOCRSA-N 0 0 677.686 8.029 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)c2C)cc1 ZINC000409374282 1072638233 /nfs/dbraw/zinc/63/82/33/1072638233.db2.gz LGKMEJSGESHGRK-OYKKKHCWSA-N 0 0 503.624 5.703 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409148799 1072641130 /nfs/dbraw/zinc/64/11/30/1072641130.db2.gz RWENYBFZAALXJR-GHJVFANLSA-N 0 0 571.562 6.480 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409373190 1072643078 /nfs/dbraw/zinc/64/30/78/1072643078.db2.gz SCXCRRIYCZBWFO-JAIQZWGSSA-N 0 0 655.519 5.616 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409148362 1072643433 /nfs/dbraw/zinc/64/34/33/1072643433.db2.gz YQBMFJJLOCEKCW-QRVIBDJDSA-N 0 0 523.452 6.393 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S ZINC000409372658 1072644555 /nfs/dbraw/zinc/64/45/55/1072644555.db2.gz OTCYHTOJFSZIKH-GIJQJNRQSA-N 0 0 569.835 6.753 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409147693 1072646934 /nfs/dbraw/zinc/64/69/34/1072646934.db2.gz VSOYGTXBCGSXRQ-WGARJPEWSA-N 0 0 581.050 5.412 40 10 KKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409372029 1072647724 /nfs/dbraw/zinc/64/77/24/1072647724.db2.gz NXTCLZPCLPHGDW-LZYBPNLTSA-N 0 0 547.283 6.093 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000409371569 1072648574 /nfs/dbraw/zinc/64/85/74/1072648574.db2.gz HUVKVRPTSUVKPY-AUEPDCJTSA-N 0 0 605.931 7.727 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409371534 1072648635 /nfs/dbraw/zinc/64/86/35/1072648635.db2.gz GZJUJZZHXWWPAZ-NDENLUEZSA-N 0 0 540.494 6.509 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S ZINC000409371496 1072648666 /nfs/dbraw/zinc/64/86/66/1072648666.db2.gz JEVJOLDJVPNDPA-AQHIEDMUSA-N 0 0 605.931 7.727 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409371385 1072649211 /nfs/dbraw/zinc/64/92/11/1072649211.db2.gz IKWPYISTFRTWAL-BHGWPJFGSA-N 0 0 710.459 7.337 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409371599 1072649242 /nfs/dbraw/zinc/64/92/42/1072649242.db2.gz XKXFNSNXWDSABM-UHFFFAOYSA-N 0 0 670.516 6.457 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S ZINC000409371071 1072650696 /nfs/dbraw/zinc/65/06/96/1072650696.db2.gz FGDKQWVLMHCPJB-MKMNVTDBSA-N 0 0 521.220 5.833 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409370813 1072651847 /nfs/dbraw/zinc/65/18/47/1072651847.db2.gz DOWURIYCJIFAPJ-DNTJNYDQSA-N 0 0 708.321 8.413 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000409370822 1072651870 /nfs/dbraw/zinc/65/18/70/1072651870.db2.gz DQKRYOCZMUKXJN-VCHYOVAHSA-N 0 0 558.390 7.210 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165823 1072652735 /nfs/dbraw/zinc/65/27/35/1072652735.db2.gz AKTHFHAXWGRICI-GGUMNFRJSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409165233 1072655424 /nfs/dbraw/zinc/65/54/24/1072655424.db2.gz VBSMTPCZVQWVBB-OJLQRUNKSA-N 0 0 600.167 9.477 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409369910 1072656380 /nfs/dbraw/zinc/65/63/80/1072656380.db2.gz HKTVWFVJTKYUSU-YVLHZVERSA-N 0 0 590.302 5.862 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409369503 1072658541 /nfs/dbraw/zinc/65/85/41/1072658541.db2.gz PILOLGYYLRDNFQ-JJFYIABZSA-N 0 0 700.407 7.432 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409369305 1072659092 /nfs/dbraw/zinc/65/90/92/1072659092.db2.gz KHKVPUGSMQORCM-UKWGHVSLSA-N 0 0 585.460 7.358 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409164589 1072659616 /nfs/dbraw/zinc/65/96/16/1072659616.db2.gz KPLIDCSZNXABSC-OJLQRUNKSA-N 0 0 610.173 8.933 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409369269 1072660374 /nfs/dbraw/zinc/66/03/74/1072660374.db2.gz JILVROKCDHJQIT-SSDVNMTOSA-N 0 0 594.929 7.172 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409369100 1072660993 /nfs/dbraw/zinc/66/09/93/1072660993.db2.gz CETIAOPFYVIDMC-JJFYIABZSA-N 0 0 671.397 7.811 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409369092 1072661065 /nfs/dbraw/zinc/66/10/65/1072661065.db2.gz BQADKUBRTZJXGX-VXLYETTFSA-N 0 0 549.417 6.408 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409368841 1072663000 /nfs/dbraw/zinc/66/30/00/1072663000.db2.gz PGRSXLAPPBIOGU-VIZOYTHASA-N 0 0 563.282 5.711 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409368829 1072663110 /nfs/dbraw/zinc/66/31/10/1072663110.db2.gz OLNXVFXIGHXLRR-KEBDBYFISA-N 0 0 563.444 6.716 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409368630 1072663747 /nfs/dbraw/zinc/66/37/47/1072663747.db2.gz FNAAXAYVGUYPNF-LSHDLFTRSA-N 0 0 650.478 6.939 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409368702 1072664284 /nfs/dbraw/zinc/66/42/84/1072664284.db2.gz IQRCDSPHLFKZMV-LSHDLFTRSA-N 0 0 722.297 8.978 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000409368492 1072664827 /nfs/dbraw/zinc/66/48/27/1072664827.db2.gz YPBKVYOALBXWTD-AFUMVMLFSA-N 0 0 580.518 7.664 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409368142 1072665529 /nfs/dbraw/zinc/66/55/29/1072665529.db2.gz TZWGFBGAQOFYSA-CAOOACKPSA-N 0 0 605.319 5.636 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409368042 1072666620 /nfs/dbraw/zinc/66/66/20/1072666620.db2.gz LVUTUTKIJFFXFD-FRKPEAEDSA-N 0 0 591.292 5.246 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409368257 1072666698 /nfs/dbraw/zinc/66/66/98/1072666698.db2.gz QMUGJBVOUUZZOU-UFFVCSGVSA-N 0 0 673.825 7.935 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409162745 1072667998 /nfs/dbraw/zinc/66/79/98/1072667998.db2.gz ZPEGMEBUVOFHMZ-FSJBWODESA-N 0 0 615.045 6.202 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409162439 1072669525 /nfs/dbraw/zinc/66/95/25/1072669525.db2.gz DXLUSUAVIJQGHL-UAVUOLJFSA-N 0 0 565.722 8.823 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000409367685 1072669928 /nfs/dbraw/zinc/66/99/28/1072669928.db2.gz DMMVFXTVHTXVFB-GIJQJNRQSA-N 0 0 559.283 7.498 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409161703 1072674620 /nfs/dbraw/zinc/67/46/20/1072674620.db2.gz PBGFOJAGVIJPKW-CCVNUDIWSA-N 0 0 619.809 6.168 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)ccc1Cl ZINC000409161962 1072674629 /nfs/dbraw/zinc/67/46/29/1072674629.db2.gz XSELYXLYGLSQKH-ZVHZXABRSA-N 0 0 552.052 5.989 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409378258 1072676836 /nfs/dbraw/zinc/67/68/36/1072676836.db2.gz OBRZDKQMECJQGV-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409160693 1072680922 /nfs/dbraw/zinc/68/09/22/1072680922.db2.gz IBHLKRFWPMWIDK-WYMPLXKRSA-N 0 0 570.498 6.990 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)ccc1Cl ZINC000409158767 1072691639 /nfs/dbraw/zinc/69/16/39/1072691639.db2.gz LQGKZUQUSAZHEZ-MXAYSNPKSA-N 0 0 634.076 7.398 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)N2 ZINC000409158797 1072691646 /nfs/dbraw/zinc/69/16/46/1072691646.db2.gz ZASLLPJSLGPCHC-FUMQJTLXSA-N 0 0 623.758 8.610 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)N2 ZINC000409158800 1072692086 /nfs/dbraw/zinc/69/20/86/1072692086.db2.gz ZASLLPJSLGPCHC-GAKIBJFNSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409385313 1072694332 /nfs/dbraw/zinc/69/43/32/1072694332.db2.gz HNCILNLQUGEKRN-UHFFFAOYSA-N 0 0 656.489 6.067 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409384209 1072699377 /nfs/dbraw/zinc/69/93/77/1072699377.db2.gz BAMCBFYOICTOPY-ZVHZXABRSA-N 0 0 550.478 5.478 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409176815 1072706381 /nfs/dbraw/zinc/70/63/81/1072706381.db2.gz YPDDXCKNDJJOAF-WYMPLXKRSA-N 0 0 557.068 6.528 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409176229 1072712057 /nfs/dbraw/zinc/71/20/57/1072712057.db2.gz ZAVRPLDWSXLHJN-QLODZENZSA-N 0 0 600.167 9.477 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409176040 1072712916 /nfs/dbraw/zinc/71/29/16/1072712916.db2.gz XKNWCYNWGOZCOB-LQKURTRISA-N 0 0 647.710 5.532 40 10 KKCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)cc1 ZINC000409175965 1072713985 /nfs/dbraw/zinc/71/39/85/1072713985.db2.gz GEDAQGAXTAHDAP-QRVIBDJDSA-N 0 0 527.568 6.350 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409381033 1072714673 /nfs/dbraw/zinc/71/46/73/1072714673.db2.gz RBNREFKECCCAJC-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409379441 1072722723 /nfs/dbraw/zinc/72/27/23/1072722723.db2.gz XOVPWUIQAGBHIL-UHFFFAOYSA-N 0 0 577.593 5.305 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409392454 1072726185 /nfs/dbraw/zinc/72/61/85/1072726185.db2.gz MQXVLMRUTHLJPY-NUJZUDFISA-N 0 0 574.533 7.367 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409172161 1072735765 /nfs/dbraw/zinc/73/57/65/1072735765.db2.gz IVNOPQMUNMBNOC-UMEGOILYSA-N 0 0 571.855 7.433 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409169650 1072748882 /nfs/dbraw/zinc/74/88/82/1072748882.db2.gz QQPBOVHXBKEFAN-OSWQYVSFSA-N 0 0 571.855 7.433 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5cccc([N+](=O)[O-])c5)cc4)c3C)C2=O)o1 ZINC000409399569 1072749132 /nfs/dbraw/zinc/74/91/32/1072749132.db2.gz KCIJVKDYSVSPFD-YSMPRRRNSA-N 0 0 570.558 5.054 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409169529 1072749714 /nfs/dbraw/zinc/74/97/14/1072749714.db2.gz RKTHKFYVHKZGMX-RHGYRFJNSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1Br ZINC000409407270 1072754479 /nfs/dbraw/zinc/75/44/79/1072754479.db2.gz MARBVYZQTKZTCK-NVMNQCDNSA-N 0 0 592.671 5.914 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186287 1072762728 /nfs/dbraw/zinc/76/27/28/1072762728.db2.gz ZZHCWSLQFJPEGL-QTIFJBHCSA-N 0 0 812.142 8.983 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/C(C)=C/c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186264 1072762769 /nfs/dbraw/zinc/76/27/69/1072762769.db2.gz ZPYCVFTZLCJOJG-ZBGBZPIOSA-N 0 0 587.745 7.026 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186177 1072764548 /nfs/dbraw/zinc/76/45/48/1072764548.db2.gz YDGONXVAKGWCEY-CDVILPPRSA-N 0 0 697.813 7.388 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186176 1072764604 /nfs/dbraw/zinc/76/46/04/1072764604.db2.gz YCFTZMJTGJYIKR-BIQSMSKESA-N 0 0 706.220 7.780 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185920 1072765168 /nfs/dbraw/zinc/76/51/68/1072765168.db2.gz SOOJMIBXFZEONO-RUVKEVNFSA-N 0 0 782.760 9.575 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1Br ZINC000409404496 1072765687 /nfs/dbraw/zinc/76/56/87/1072765687.db2.gz DGAPNKDRNZOSDT-NVMNQCDNSA-N 0 0 637.122 6.023 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186058 1072766332 /nfs/dbraw/zinc/76/63/32/1072766332.db2.gz WAEUTBCZQZJYGL-MASHFGSSSA-N 0 0 880.486 10.491 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186061 1072766428 /nfs/dbraw/zinc/76/64/28/1072766428.db2.gz WAZOAGLKYFGGJZ-ARNIMVJDSA-N 0 0 712.872 7.664 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185803 1072766913 /nfs/dbraw/zinc/76/69/13/1072766913.db2.gz QHIAYRCEGKCCGB-XDEAUGIPSA-N 0 0 561.707 6.388 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185893 1072767692 /nfs/dbraw/zinc/76/76/92/1072767692.db2.gz SAYNCWLFTSYSEF-RWIVWZHZSA-N 0 0 797.171 9.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185915 1072768095 /nfs/dbraw/zinc/76/80/95/1072768095.db2.gz SMDOADOXNDPMSM-MQDOJECHSA-N 0 0 732.302 8.711 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccccc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409185898 1072768110 /nfs/dbraw/zinc/76/81/10/1072768110.db2.gz SGLFZLJXNOLWEZ-AJBULDERSA-N 0 0 675.159 6.378 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185916 1072768132 /nfs/dbraw/zinc/76/81/32/1072768132.db2.gz SNHGAQABJCWYHA-QTIFJBHCSA-N 0 0 767.691 8.874 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185662 1072768483 /nfs/dbraw/zinc/76/84/83/1072768483.db2.gz OHCKXQLUYFFAMS-KRJBTMGSSA-N 0 0 893.041 9.679 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185770 1072769807 /nfs/dbraw/zinc/76/98/07/1072769807.db2.gz PUYABTMWJHQOFC-HDORNCSZSA-N 0 0 794.743 8.959 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185570 1072770167 /nfs/dbraw/zinc/77/01/67/1072770167.db2.gz MQTZGXJNLZTJIO-KIPVLWBXSA-N 0 0 668.863 8.050 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185611 1072770758 /nfs/dbraw/zinc/77/07/58/1072770758.db2.gz NJYNUVHAUMLMBQ-ZGMIACJESA-N 0 0 826.813 9.973 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185623 1072770772 /nfs/dbraw/zinc/77/07/72/1072770772.db2.gz NNYURDRUNFNFDS-IMEZSSIGSA-N 0 0 607.732 6.097 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185382 1072771202 /nfs/dbraw/zinc/77/12/02/1072771202.db2.gz LAPPASVLIWKCSE-JZGFOJACSA-N 0 0 837.780 8.971 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185445 1072771262 /nfs/dbraw/zinc/77/12/62/1072771262.db2.gz LNVZDUIJDYLIGP-WMGYHRCKSA-N 0 0 855.605 8.913 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185215 1072771685 /nfs/dbraw/zinc/77/16/85/1072771685.db2.gz KHOCGBPYSKSJTF-HGTXDYBSSA-N 0 0 780.716 8.569 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185479 1072771702 /nfs/dbraw/zinc/77/17/02/1072771702.db2.gz LUCYNBONIJNOAP-HMNIRVHFSA-N 0 0 812.786 9.583 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185134 1072772641 /nfs/dbraw/zinc/77/26/41/1072772641.db2.gz JPWMONLCZWQUIA-MASHFGSSSA-N 0 0 927.486 10.333 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184937 1072773479 /nfs/dbraw/zinc/77/34/79/1072773479.db2.gz YYZRXXDFSSMPQZ-WFGWQTNPSA-N 0 0 636.686 5.717 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184836 1072774491 /nfs/dbraw/zinc/77/44/91/1072774491.db2.gz IGDLUYMVWPGWAG-BGZSOQNUSA-N 0 0 703.864 8.812 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409184636 1072775452 /nfs/dbraw/zinc/77/54/52/1072775452.db2.gz YHTCNWMRDQXKFD-FBHDLOMBSA-N 0 0 552.849 7.366 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184598 1072777127 /nfs/dbraw/zinc/77/71/27/1072777127.db2.gz HCULPXMHOWRRCJ-AHQQZJEWSA-N 0 0 689.281 8.449 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409184433 1072777649 /nfs/dbraw/zinc/77/76/49/1072777649.db2.gz GRLMHWYRJBPAPP-GGJMMHKRSA-N 0 0 573.358 9.293 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184190 1072778103 /nfs/dbraw/zinc/77/81/03/1072778103.db2.gz FNZGUCKTFMNJTD-RQBSVBTHSA-N 0 0 823.709 7.992 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184098 1072779020 /nfs/dbraw/zinc/77/90/20/1072779020.db2.gz FALBZMVOLAPLOF-XUUPVQRLSA-N 0 0 728.665 6.784 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(C)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184147 1072779545 /nfs/dbraw/zinc/77/95/45/1072779545.db2.gz FLLOGBNWJKBDHV-WMCGGXPCSA-N 0 0 614.771 6.880 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183657 1072782238 /nfs/dbraw/zinc/78/22/38/1072782238.db2.gz CVKKXTXICQLDEN-DEGGDSAOSA-N 0 0 667.831 7.967 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409400903 1072783249 /nfs/dbraw/zinc/78/32/49/1072783249.db2.gz UYGXVEZPHRYAIQ-PKAZHMFMSA-N 0 0 542.433 5.897 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183582 1072783447 /nfs/dbraw/zinc/78/34/47/1072783447.db2.gz CBALLOFMGGJAMV-DGWBYFALSA-N 0 0 794.743 8.959 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183189 1072784785 /nfs/dbraw/zinc/78/47/85/1072784785.db2.gz AUKPWHMOHOBUBE-WLNVPOHISA-N 0 0 616.570 7.387 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccccc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409183116 1072786641 /nfs/dbraw/zinc/78/66/41/1072786641.db2.gz AGVTUFNNXFEOBY-GTWSWNCMSA-N 0 0 647.149 6.600 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409183119 1072786772 /nfs/dbraw/zinc/78/67/72/1072786772.db2.gz AHCPKLLMFPSFRA-MIXAMLLLSA-N 0 0 671.093 7.220 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182836 1072788146 /nfs/dbraw/zinc/78/81/46/1072788146.db2.gz OMBKEOMKUSVKAT-WFQVFFQTSA-N 0 0 801.192 10.018 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182736 1072788534 /nfs/dbraw/zinc/78/85/34/1072788534.db2.gz NIVAXBIQZXAXLI-DGWBYFALSA-N 0 0 902.649 9.425 40 10 KKCBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409182569 1072788977 /nfs/dbraw/zinc/78/89/77/1072788977.db2.gz MPOQUJVHOKBCMH-RNHKLYCYSA-N 0 0 613.309 7.512 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S)c1ccccc1 ZINC000409182510 1072790114 /nfs/dbraw/zinc/79/01/14/1072790114.db2.gz LWOHKJJNMCVAPS-UDWIEESQSA-N 0 0 622.335 6.476 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182441 1072790656 /nfs/dbraw/zinc/79/06/56/1072790656.db2.gz KWGDMCKZMZODTD-LEJDTLLOSA-N 0 0 671.775 7.126 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccsc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182235 1072792500 /nfs/dbraw/zinc/79/25/00/1072792500.db2.gz JTHVEZLNHIRZNL-OURMJXGFSA-N 0 0 553.709 6.141 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182243 1072792884 /nfs/dbraw/zinc/79/28/84/1072792884.db2.gz JVNDRENTSMQKDQ-OURMJXGFSA-N 0 0 642.575 6.548 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181743 1072795136 /nfs/dbraw/zinc/79/51/36/1072795136.db2.gz DBHHTIBHCBOJKG-IOSUBWPCSA-N 0 0 780.716 8.569 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181794 1072795496 /nfs/dbraw/zinc/79/54/96/1072795496.db2.gz DZEYVZOCWWAMDN-HDORNCSZSA-N 0 0 841.743 8.801 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181781 1072795596 /nfs/dbraw/zinc/79/55/96/1072795596.db2.gz DTEBHMPWDSKHEN-FJNAIRSASA-N 0 0 671.794 7.798 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181482 1072797428 /nfs/dbraw/zinc/79/74/28/1072797428.db2.gz BMOZENTXPMTZIP-DPJPYKTPSA-N 0 0 563.679 5.785 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181517 1072797845 /nfs/dbraw/zinc/79/78/45/1072797845.db2.gz CJKLPOHPZYLBOJ-NRNSZXCESA-N 0 0 767.145 9.075 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181494 1072797894 /nfs/dbraw/zinc/79/78/94/1072797894.db2.gz BWXQBESSZJSZPC-RQBSVBTHSA-N 0 0 848.590 9.570 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180087 1072805310 /nfs/dbraw/zinc/80/53/10/1072805310.db2.gz VMKQPYUUQZWVHP-ODCIPOBUSA-N 0 0 603.749 8.533 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409179718 1072808713 /nfs/dbraw/zinc/80/87/13/1072808713.db2.gz SSSOYPIQNIPOJB-JCMHNJIXSA-N 0 0 525.051 5.864 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409179371 1072810066 /nfs/dbraw/zinc/81/00/66/1072810066.db2.gz MKRNGJFOBCDDPP-MXAYSNPKSA-N 0 0 571.095 7.034 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000409178333 1072816806 /nfs/dbraw/zinc/81/68/06/1072816806.db2.gz MHBUDFKUVHBYCZ-HZHRSRAPSA-N 0 0 508.596 5.350 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178190 1072817759 /nfs/dbraw/zinc/81/77/59/1072817759.db2.gz HAIRBCMKONCYIE-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409196959 1072828501 /nfs/dbraw/zinc/82/85/01/1072828501.db2.gz TYKCPYIQAVPRRR-CXUHLZMHSA-N 0 0 576.275 5.867 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409196823 1072829407 /nfs/dbraw/zinc/82/94/07/1072829407.db2.gz RIQXKJCUZJHYTI-ITYLOYPMSA-N 0 0 500.645 6.525 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409196418 1072832519 /nfs/dbraw/zinc/83/25/19/1072832519.db2.gz UTZLPGYZHGJUGJ-FMCGGJTJSA-N 0 0 523.452 6.997 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000409196146 1072832543 /nfs/dbraw/zinc/83/25/43/1072832543.db2.gz NNIBPLHCZSIVTQ-LPYMAVHISA-N 0 0 512.450 6.443 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S ZINC000409195249 1072838690 /nfs/dbraw/zinc/83/86/90/1072838690.db2.gz GVIOOSGRSPLRGG-QRQIAZFYSA-N 0 0 506.652 7.257 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409194555 1072841546 /nfs/dbraw/zinc/84/15/46/1072841546.db2.gz MYTQZKQNXNKJMF-LSHDLFTRSA-N 0 0 636.343 7.113 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409194350 1072844702 /nfs/dbraw/zinc/84/47/02/1072844702.db2.gz AYSAVTILCYRZJB-BUVRLJJBSA-N 0 0 529.599 6.740 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409193588 1072849364 /nfs/dbraw/zinc/84/93/64/1072849364.db2.gz HHDCHZIRJMURSX-WGOQTCKBSA-N 0 0 500.645 6.383 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409189920 1072873511 /nfs/dbraw/zinc/87/35/11/1072873511.db2.gz NORBCMMLLCYLEO-ONUIUJJFSA-N 0 0 528.630 5.382 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409189142 1072877949 /nfs/dbraw/zinc/87/79/49/1072877949.db2.gz IYOMDCJNUBPJNC-KEBDBYFISA-N 0 0 505.796 6.890 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409207250 1072886208 /nfs/dbraw/zinc/88/62/08/1072886208.db2.gz URKRSCKZYPKICV-NKVSQWTQSA-N 0 0 612.855 7.204 40 10 KKCBRN CCOC(=O)COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC ZINC000409206426 1072891775 /nfs/dbraw/zinc/89/17/75/1072891775.db2.gz OEYWJAZPAPVKTM-LFVJCYFKSA-N 0 0 544.629 5.002 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409206215 1072892981 /nfs/dbraw/zinc/89/29/81/1072892981.db2.gz NFDZHFZCCSDOMT-QFEZKATASA-N 0 0 500.601 5.855 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206271 1072893003 /nfs/dbraw/zinc/89/30/03/1072893003.db2.gz SKCYYXGAWBTPEA-LSHDLFTRSA-N 0 0 530.986 6.381 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409205081 1072900035 /nfs/dbraw/zinc/90/00/35/1072900035.db2.gz LCJSFDDONWYWAQ-OYKKKHCWSA-N 0 0 601.531 7.210 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409205065 1072900048 /nfs/dbraw/zinc/90/00/48/1072900048.db2.gz KRRUATISFDBGGE-YBFXNURJSA-N 0 0 517.382 6.032 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S)c1ccccc1 ZINC000409204548 1072904247 /nfs/dbraw/zinc/90/42/47/1072904247.db2.gz IOXIQZIEIDNMIM-PKAZHMFMSA-N 0 0 519.651 6.389 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204340 1072904706 /nfs/dbraw/zinc/90/47/06/1072904706.db2.gz FWCVKDVKJGCXGA-ZVHZXABRSA-N 0 0 601.531 7.210 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409204407 1072905129 /nfs/dbraw/zinc/90/51/29/1072905129.db2.gz GVHPOPYADRXMNP-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409204154 1072907482 /nfs/dbraw/zinc/90/74/82/1072907482.db2.gz CIQFPEAVSZFLTB-SRZZPIQSSA-N 0 0 656.336 7.186 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409203008 1072911054 /nfs/dbraw/zinc/91/10/54/1072911054.db2.gz VUOZAMUMXXSZTG-UFFVCSGVSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201955 1072915987 /nfs/dbraw/zinc/91/59/87/1072915987.db2.gz ROKRGKFUSJANEE-SSDVNMTOSA-N 0 0 574.478 5.901 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1cccc(Br)c1 ZINC000409200993 1072919537 /nfs/dbraw/zinc/91/95/37/1072919537.db2.gz MWPLEKMSGGAEJW-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000409198848 1072927920 /nfs/dbraw/zinc/92/79/20/1072927920.db2.gz FXWGAZNCUKZVNF-ZTKZIYFRSA-N 0 0 532.644 7.966 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409198055 1072931910 /nfs/dbraw/zinc/93/19/10/1072931910.db2.gz VVUPZMURTLABMP-AFUMVMLFSA-N 0 0 597.556 6.888 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409197819 1072933668 /nfs/dbraw/zinc/93/36/68/1072933668.db2.gz PMVCXOFKPMZNGT-KOEQRZSOSA-N 0 0 535.069 5.133 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S ZINC000409207551 1072941726 /nfs/dbraw/zinc/94/17/26/1072941726.db2.gz WPXVNBANBBFUAT-RGVLZGJSSA-N 0 0 519.526 6.362 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409214764 1072951505 /nfs/dbraw/zinc/95/15/05/1072951505.db2.gz YPDCARDKOVZMNE-JFLMPSFJSA-N 0 0 533.024 7.707 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409212532 1072959126 /nfs/dbraw/zinc/95/91/26/1072959126.db2.gz QWFPOOULUCOQTN-ZVHZXABRSA-N 0 0 561.411 5.431 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409209554 1072968592 /nfs/dbraw/zinc/96/85/92/1072968592.db2.gz GMXPLYHXRZJKJX-LQKURTRISA-N 0 0 556.569 5.483 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409226264 1072974558 /nfs/dbraw/zinc/97/45/58/1072974558.db2.gz MKZWVISWHLLPAA-BKUYFWCQSA-N 0 0 589.920 6.534 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409224128 1072985471 /nfs/dbraw/zinc/98/54/71/1072985471.db2.gz KSJQTKMDZBBYFL-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409222896 1072990087 /nfs/dbraw/zinc/99/00/87/1072990087.db2.gz FJDKTBGSBDCYLI-JJFYIABZSA-N 0 0 563.395 6.795 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409222924 1072990110 /nfs/dbraw/zinc/99/01/10/1072990110.db2.gz YFOLDGZCDCWVFS-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409222904 1072990145 /nfs/dbraw/zinc/99/01/45/1072990145.db2.gz YDXCDUYKOYWCLH-CCVNUDIWSA-N 0 0 597.951 8.870 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409222959 1072990681 /nfs/dbraw/zinc/99/06/81/1072990681.db2.gz FPBHPKKDARSOBT-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409222850 1072991732 /nfs/dbraw/zinc/99/17/32/1072991732.db2.gz XVRUUCPDHIEDTB-UNOMPAQXSA-N 0 0 582.485 5.237 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409221548 1072997520 /nfs/dbraw/zinc/99/75/20/1072997520.db2.gz RVEZCKKDMDHWHQ-QFEZKATASA-N 0 0 567.132 7.006 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000409221310 1072999604 /nfs/dbraw/zinc/99/96/04/1072999604.db2.gz OICLPQSQOLNKJY-TURZUDJPSA-N 0 0 621.763 6.381 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409220665 1073004336 /nfs/dbraw/zinc/00/43/36/1073004336.db2.gz DACBYYGJOZIRKW-XYGWBWBKSA-N 0 0 551.665 5.714 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)c1 ZINC000409230102 1073016738 /nfs/dbraw/zinc/01/67/38/1073016738.db2.gz BNDIQQNRMSYUBJ-KSEXSDGBSA-N 0 0 575.495 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409229622 1073019300 /nfs/dbraw/zinc/01/93/00/1073019300.db2.gz RZEIBLGBYXPQQF-UCQKPKSFSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409229695 1073019726 /nfs/dbraw/zinc/01/97/26/1073019726.db2.gz SYQMSFIYPYJHDG-ONUIUJJFSA-N 0 0 563.701 5.583 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000409229530 1073020638 /nfs/dbraw/zinc/02/06/38/1073020638.db2.gz QPUWJZHVWSUTAC-ODLFYWEKSA-N 0 0 582.485 5.155 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409228877 1073024528 /nfs/dbraw/zinc/02/45/28/1073024528.db2.gz GMQXWKSCHCOASJ-OYKKKHCWSA-N 0 0 571.095 6.918 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409228324 1073028238 /nfs/dbraw/zinc/02/82/38/1073028238.db2.gz XHOLUAXGTYTNHJ-UUYOSTAYSA-N 0 0 579.021 6.791 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c3)SC2=S)cc1 ZINC000409228081 1073029503 /nfs/dbraw/zinc/02/95/03/1073029503.db2.gz TXQFMOOTSVVAHA-OYKKKHCWSA-N 0 0 588.629 6.536 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OCC)c2)SC1=S ZINC000409236713 1073037609 /nfs/dbraw/zinc/03/76/09/1073037609.db2.gz GSYMTFPJTRAYCE-BKUYFWCQSA-N 0 0 549.512 5.785 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409236708 1073037937 /nfs/dbraw/zinc/03/79/37/1073037937.db2.gz GPNKGZYLXUYBON-ZMFRSBBQSA-N 0 0 578.668 5.242 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c1C ZINC000409235522 1073044231 /nfs/dbraw/zinc/04/42/31/1073044231.db2.gz BTIBZDRLBMTZRO-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409234980 1073046004 /nfs/dbraw/zinc/04/60/04/1073046004.db2.gz AAPBYPCSOLHWNX-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409234191 1073051927 /nfs/dbraw/zinc/05/19/27/1073051927.db2.gz NCVABNMJORULQT-STBIYBPSSA-N 0 0 570.487 6.837 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409234067 1073052841 /nfs/dbraw/zinc/05/28/41/1073052841.db2.gz YNVSFGLWKQYNET-XYGWBWBKSA-N 0 0 582.147 6.536 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409234092 1073052997 /nfs/dbraw/zinc/05/29/97/1073052997.db2.gz LTWFGNXFXSJDLE-IUXPMGMMSA-N 0 0 588.876 5.158 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409233778 1073054414 /nfs/dbraw/zinc/05/44/14/1073054414.db2.gz XDTGXCQBQBCFHP-UUYOSTAYSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409233627 1073054862 /nfs/dbraw/zinc/05/48/62/1073054862.db2.gz LJSBHRIIUAOFIH-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000409233390 1073055395 /nfs/dbraw/zinc/05/53/95/1073055395.db2.gz VQTUHZMOWSVFGQ-YPFLROGLSA-N 0 0 581.557 7.046 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409233258 1073056441 /nfs/dbraw/zinc/05/64/41/1073056441.db2.gz FANUSCQXSVWRCH-MTJSOVHGSA-N 0 0 544.858 6.185 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409232093 1073062622 /nfs/dbraw/zinc/06/26/22/1073062622.db2.gz GZCVNOCRAIUYSD-GRSHGNNSSA-N 0 0 569.930 6.047 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409231664 1073064324 /nfs/dbraw/zinc/06/43/24/1073064324.db2.gz FBDWPYAPJKTOFO-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409231608 1073065288 /nfs/dbraw/zinc/06/52/88/1073065288.db2.gz DBJGJLWKISWFGR-STBIYBPSSA-N 0 0 526.036 6.728 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1O ZINC000409231232 1073065945 /nfs/dbraw/zinc/06/59/45/1073065945.db2.gz IZRPXOBKSUVMFP-NVNXTCNLSA-N 0 0 551.349 5.820 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)SC1=S ZINC000409230756 1073067673 /nfs/dbraw/zinc/06/76/73/1073067673.db2.gz GCTAQZVFAAFJHP-ZDLGFXPLSA-N 0 0 555.903 5.658 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409247092 1073072919 /nfs/dbraw/zinc/07/29/19/1073072919.db2.gz BEVRZWUPONMTAI-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1Cl ZINC000409246591 1073076071 /nfs/dbraw/zinc/07/60/71/1073076071.db2.gz JGYGDHQYNYOSCE-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S ZINC000409246496 1073077335 /nfs/dbraw/zinc/07/73/35/1073077335.db2.gz BZBPAAIZWVOYDC-UNOMPAQXSA-N 0 0 582.485 5.237 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409246103 1073078309 /nfs/dbraw/zinc/07/83/09/1073078309.db2.gz DXUAFNRIFDLJLP-PDHRUYIUSA-N 0 0 573.523 6.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409245822 1073080499 /nfs/dbraw/zinc/08/04/99/1073080499.db2.gz ZLBLRFQBJSKTJF-MHBHXDGASA-N 0 0 587.550 7.372 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409245823 1073080657 /nfs/dbraw/zinc/08/06/57/1073080657.db2.gz ZLBLRFQBJSKTJF-VXHGTMSESA-N 0 0 587.550 7.372 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409245400 1073084054 /nfs/dbraw/zinc/08/40/54/1073084054.db2.gz SEXHVSNZYSRYKM-MSXFZWOLSA-N 0 0 553.061 5.796 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2Cl)cc1 ZINC000409245411 1073084332 /nfs/dbraw/zinc/08/43/32/1073084332.db2.gz SJIYJSZYZLUHBU-XYGWBWBKSA-N 0 0 552.121 6.392 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000409245252 1073084907 /nfs/dbraw/zinc/08/49/07/1073084907.db2.gz PRTVACILWZAQKS-COVVZGLNSA-N 0 0 561.523 5.464 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4cc(Cl)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409244178 1073089045 /nfs/dbraw/zinc/08/90/45/1073089045.db2.gz YYBLAULDHHMHOI-CFRMEGHHSA-N 0 0 587.550 7.296 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409244185 1073089056 /nfs/dbraw/zinc/08/90/56/1073089056.db2.gz ZCGOHQDUSJVBMX-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OCC)cc4)C3=O)cc2OC)cc1 ZINC000409244083 1073090130 /nfs/dbraw/zinc/09/01/30/1073090130.db2.gz XJAUHCRYNHTPHE-ONUIUJJFSA-N 0 0 564.685 5.916 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409243916 1073090566 /nfs/dbraw/zinc/09/05/66/1073090566.db2.gz YYDFUDFKOZDVJN-MYYYXRDXSA-N 0 0 568.120 6.146 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409244158 1073090792 /nfs/dbraw/zinc/09/07/92/1073090792.db2.gz YSITXZDMDIMOAH-PKAZHMFMSA-N 0 0 561.729 6.191 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)SC2=S)cc1 ZINC000409243766 1073091401 /nfs/dbraw/zinc/09/14/01/1073091401.db2.gz YGQBXGHSOMMGIP-IWIPYMOSSA-N 0 0 587.094 6.700 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409243089 1073094468 /nfs/dbraw/zinc/09/44/68/1073094468.db2.gz YNSYVAQCANSPRT-HQOKVJKCSA-N 0 0 567.516 5.708 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409242908 1073094685 /nfs/dbraw/zinc/09/46/85/1073094685.db2.gz WRQXOTJWKMUVDF-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409242340 1073097472 /nfs/dbraw/zinc/09/74/72/1073097472.db2.gz QYZUGAFQNWPDGO-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409241740 1073099943 /nfs/dbraw/zinc/09/99/43/1073099943.db2.gz UKQOQBXGBKUHIG-NHDPSOOVSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409241287 1073102190 /nfs/dbraw/zinc/10/21/90/1073102190.db2.gz QUPLOEXATLZFSP-JAIQZWGSSA-N 0 0 577.453 5.609 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409241167 1073103081 /nfs/dbraw/zinc/10/30/81/1073103081.db2.gz JEVJCJUDGYJOIZ-WQRHYEAKSA-N 0 0 586.448 5.068 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409241208 1073103142 /nfs/dbraw/zinc/10/31/42/1073103142.db2.gz JLALHQJAAKBFAS-CFRMEGHHSA-N 0 0 573.523 6.988 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409240964 1073103689 /nfs/dbraw/zinc/10/36/89/1073103689.db2.gz MKWLTYZAUIHGNM-GMPVXANTSA-N 0 0 557.068 6.468 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409240971 1073103712 /nfs/dbraw/zinc/10/37/12/1073103712.db2.gz MMNGQZACDMMXMP-MTJSOVHGSA-N 0 0 591.858 6.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409240805 1073106828 /nfs/dbraw/zinc/10/68/28/1073106828.db2.gz ICDZGQYHLAHLSW-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)SC1=S ZINC000409240347 1073109422 /nfs/dbraw/zinc/10/94/22/1073109422.db2.gz STOYMDMPYHNQDC-FMQZQXMHSA-N 0 0 576.321 6.003 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409239252 1073114934 /nfs/dbraw/zinc/11/49/34/1073114934.db2.gz PBBDMVBULJNNTL-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1Cl ZINC000409239166 1073115974 /nfs/dbraw/zinc/11/59/74/1073115974.db2.gz GTTLHOXAYKNUMJ-CIAFOILYSA-N 0 0 500.407 6.076 40 10 KKCBRN CCOc1ccc(NC(=O)COc2c(Br)cc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2OC)cc1 ZINC000409238397 1073120237 /nfs/dbraw/zinc/12/02/37/1073120237.db2.gz ZJFMKMDDNYLMQO-NDENLUEZSA-N 0 0 565.511 5.484 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409237987 1073123427 /nfs/dbraw/zinc/12/34/27/1073123427.db2.gz KQLWMPCZPAXFNZ-QRVIBDJDSA-N 0 0 558.512 6.483 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409237783 1073124449 /nfs/dbraw/zinc/12/44/49/1073124449.db2.gz JKZPPKUCCBZSHC-KSEXSDGBSA-N 0 0 577.942 7.687 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409237345 1073126914 /nfs/dbraw/zinc/12/69/14/1073126914.db2.gz WCEDKVKHFCEACW-MTJSOVHGSA-N 0 0 573.490 5.778 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409237427 1073127662 /nfs/dbraw/zinc/12/76/62/1073127662.db2.gz UMQGAIHCNMRPMI-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)SC2=S)cc1Cl ZINC000409251426 1073128253 /nfs/dbraw/zinc/12/82/53/1073128253.db2.gz PPCIJBNTVNDYJN-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409251444 1073128823 /nfs/dbraw/zinc/12/88/23/1073128823.db2.gz PYWDZTQSDVEKFD-ITYLOYPMSA-N 0 0 532.687 5.855 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409251275 1073130035 /nfs/dbraw/zinc/13/00/35/1073130035.db2.gz PEHZCHAWNYOLLI-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409250910 1073131898 /nfs/dbraw/zinc/13/18/98/1073131898.db2.gz OSTFIMQBCVTBPV-PXNMLYILSA-N 0 0 561.401 5.325 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409250732 1073134495 /nfs/dbraw/zinc/13/44/95/1073134495.db2.gz RWILUEJEQYMCLT-OGLMXYFKSA-N 0 0 538.629 6.555 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409250538 1073134820 /nfs/dbraw/zinc/13/48/20/1073134820.db2.gz QWQMNOMHMJQISV-CFRMEGHHSA-N 0 0 557.068 6.610 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409250329 1073135470 /nfs/dbraw/zinc/13/54/70/1073135470.db2.gz QOXSIBRLXYALIB-IWIPYMOSSA-N 0 0 569.104 6.479 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1 ZINC000409250354 1073135478 /nfs/dbraw/zinc/13/54/78/1073135478.db2.gz NGVVYPLGLCGSIZ-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409249767 1073139725 /nfs/dbraw/zinc/13/97/25/1073139725.db2.gz VNFFODYXCVIVHZ-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409249381 1073142599 /nfs/dbraw/zinc/14/25/99/1073142599.db2.gz HPPRXPMOWVJSHG-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409249403 1073142637 /nfs/dbraw/zinc/14/26/37/1073142637.db2.gz HWQZUIHAOFDTPL-UNOMPAQXSA-N 0 0 535.485 5.395 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409249078 1073144794 /nfs/dbraw/zinc/14/47/94/1073144794.db2.gz JIMWANYHRFFEDE-UXHLAJHPSA-N 0 0 583.088 6.420 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409248696 1073147545 /nfs/dbraw/zinc/14/75/45/1073147545.db2.gz IAVGAKHFNVOJFV-FMCGGJTJSA-N 0 0 559.040 5.920 40 10 KKCBRN O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409248422 1073147867 /nfs/dbraw/zinc/14/78/67/1073147867.db2.gz GKDVSRJDDABEET-UHFFFAOYSA-N 0 0 709.778 7.466 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409248512 1073148428 /nfs/dbraw/zinc/14/84/28/1073148428.db2.gz GWZVAURVWCMHTD-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OCC)cc1 ZINC000409248394 1073149688 /nfs/dbraw/zinc/14/96/88/1073149688.db2.gz GCKWQIGBAPUGOP-UQQQWYQISA-N 0 0 534.659 5.907 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 ZINC000409248063 1073150879 /nfs/dbraw/zinc/15/08/79/1073150879.db2.gz BREDNBMRZJQCLX-MYYYXRDXSA-N 0 0 537.106 6.943 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)SC1=S ZINC000409248093 1073151354 /nfs/dbraw/zinc/15/13/54/1073151354.db2.gz BXMNLXVXSKHOES-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409247696 1073152202 /nfs/dbraw/zinc/15/22/02/1073152202.db2.gz APHWMMFRAXMYPE-JJFYIABZSA-N 0 0 547.004 6.050 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000409247678 1073152205 /nfs/dbraw/zinc/15/22/05/1073152205.db2.gz AHHGSUGHIXMLDR-BEXDPUPVSA-N 0 0 523.079 6.628 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409247555 1073153370 /nfs/dbraw/zinc/15/33/70/1073153370.db2.gz DFEJLQVGPWSSHR-UFFVCSGVSA-N 0 0 579.303 6.838 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)c(C)c1 ZINC000409255321 1073156578 /nfs/dbraw/zinc/15/65/78/1073156578.db2.gz ZQIHKEXBHDVGEK-QAEYNFOBSA-N 0 0 516.688 6.592 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409256446 1073160180 /nfs/dbraw/zinc/16/01/80/1073160180.db2.gz LHQOHUKGJLMISS-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409256871 1073160181 /nfs/dbraw/zinc/16/01/81/1073160181.db2.gz QJXLLGCKENDAAN-CCVNUDIWSA-N 0 0 612.579 7.710 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409256491 1073160571 /nfs/dbraw/zinc/16/05/71/1073160571.db2.gz LQPAVMIXASVNTN-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409256337 1073161435 /nfs/dbraw/zinc/16/14/35/1073161435.db2.gz NTYGWUPPSFGOCH-DEYGKZMTSA-N 0 0 526.680 5.100 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000409256092 1073163324 /nfs/dbraw/zinc/16/33/24/1073163324.db2.gz JTKVLDJZQVLAFC-XKZIYDEJSA-N 0 0 513.015 6.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409255745 1073165267 /nfs/dbraw/zinc/16/52/67/1073165267.db2.gz IPSWGGPJEOUWCM-UCQKPKSFSA-N 0 0 526.586 5.787 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409255798 1073165393 /nfs/dbraw/zinc/16/53/93/1073165393.db2.gz IWAMSMUJCVHDDR-UFAQQFSPSA-N 0 0 518.660 5.984 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409255521 1073167743 /nfs/dbraw/zinc/16/77/43/1073167743.db2.gz LPTFBRHFSXKQGN-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c(C)c1 ZINC000409254968 1073169931 /nfs/dbraw/zinc/16/99/31/1073169931.db2.gz XGIVFPDONZLNKF-CEUNXORHSA-N 0 0 580.731 7.827 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409254794 1073171027 /nfs/dbraw/zinc/17/10/27/1073171027.db2.gz GAKLCQXFADKNAL-UUYOSTAYSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409254406 1073172455 /nfs/dbraw/zinc/17/24/55/1073172455.db2.gz ZBRKKNRWNZJWAJ-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409253965 1073176681 /nfs/dbraw/zinc/17/66/81/1073176681.db2.gz HCKODNCKXFZNSI-NKVSQWTQSA-N 0 0 533.433 6.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409253850 1073177612 /nfs/dbraw/zinc/17/76/12/1073177612.db2.gz YKROFEQXENLQRC-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409253884 1073178040 /nfs/dbraw/zinc/17/80/40/1073178040.db2.gz GWHFKPUMYXMUTP-UHFFFAOYSA-N 0 0 654.517 6.675 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409253795 1073179687 /nfs/dbraw/zinc/17/96/87/1073179687.db2.gz GPYUXDMOKJKFRV-ODLFYWEKSA-N 0 0 525.479 6.019 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409253099 1073182523 /nfs/dbraw/zinc/18/25/23/1073182523.db2.gz VUYPSZBVKDXQIY-UCQKPKSFSA-N 0 0 543.041 6.301 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409252643 1073185176 /nfs/dbraw/zinc/18/51/76/1073185176.db2.gz UIBVYBWDPJZWFH-HMAPJEAMSA-N 0 0 525.051 6.080 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409252003 1073190032 /nfs/dbraw/zinc/19/00/32/1073190032.db2.gz RFIDJLHWVSHDRX-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409251784 1073190477 /nfs/dbraw/zinc/19/04/77/1073190477.db2.gz BNMVRIBDNSJKFX-STZFKDTASA-N 0 0 525.449 5.872 40 10 KKCBRN COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208796 1073191338 /nfs/dbraw/zinc/19/13/38/1073191338.db2.gz QAKIZVPELFHIOQ-DWACAAAGSA-N 0 0 631.722 5.880 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409266832 1073198520 /nfs/dbraw/zinc/19/85/20/1073198520.db2.gz RQBWGVSAQQCZMT-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)c1 ZINC000409266769 1073200294 /nfs/dbraw/zinc/20/02/94/1073200294.db2.gz YHXCOXIPHGBPBZ-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409266546 1073200603 /nfs/dbraw/zinc/20/06/03/1073200603.db2.gz ZUIGMVCUUZFHDT-OCKHKDLRSA-N 0 0 511.452 5.629 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409265965 1073204422 /nfs/dbraw/zinc/20/44/22/1073204422.db2.gz XEYIOUGOMSUPBA-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409265898 1073205241 /nfs/dbraw/zinc/20/52/41/1073205241.db2.gz UWEOKAZKXQJBOE-HMAPJEAMSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265734 1073206056 /nfs/dbraw/zinc/20/60/56/1073206056.db2.gz OHEWFCGLRGDFJD-DSDJNCIMSA-N 0 0 533.071 5.055 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S ZINC000409265532 1073206452 /nfs/dbraw/zinc/20/64/52/1073206452.db2.gz TUAOCPUEFYXIMH-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1 ZINC000409265509 1073206466 /nfs/dbraw/zinc/20/64/66/1073206466.db2.gz SYFMBRRZBFCPKG-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1C ZINC000409265423 1073207602 /nfs/dbraw/zinc/20/76/02/1073207602.db2.gz IGKZSDYTTQPYAH-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000033667264 1073207880 /nfs/dbraw/zinc/20/78/80/1073207880.db2.gz XYFSIPSQJKTTPY-NHFJDJAPSA-N 0 0 525.699 6.772 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c1 ZINC000033910585 1073208368 /nfs/dbraw/zinc/20/83/68/1073208368.db2.gz USMZDASEEITNLV-LZSGNZRWSA-N 0 0 502.640 5.408 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1Cl ZINC000409264628 1073210965 /nfs/dbraw/zinc/21/09/65/1073210965.db2.gz QKZVXNKZAPPDHH-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409264368 1073212366 /nfs/dbraw/zinc/21/23/66/1073212366.db2.gz FFJINNOVBCXVNO-ITYLOYPMSA-N 0 0 546.670 5.895 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409264429 1073212764 /nfs/dbraw/zinc/21/27/64/1073212764.db2.gz FRQJFRDGTZUQJQ-YSMPRRRNSA-N 0 0 548.686 6.134 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409264140 1073214287 /nfs/dbraw/zinc/21/42/87/1073214287.db2.gz PDVNGRDSHFPKIU-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409264029 1073215592 /nfs/dbraw/zinc/21/55/92/1073215592.db2.gz JGEFSZSYLUMNSH-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000409263677 1073217111 /nfs/dbraw/zinc/21/71/11/1073217111.db2.gz MBZWKAVHHLWEKE-DWGAWOTKSA-N 0 0 518.660 6.065 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263432 1073218488 /nfs/dbraw/zinc/21/84/88/1073218488.db2.gz MRGIFDIYMIXZIB-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409263230 1073218953 /nfs/dbraw/zinc/21/89/53/1073218953.db2.gz BGBNDEHSSFUKKA-ZJVWCJDDSA-N 0 0 526.680 5.100 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409262784 1073220361 /nfs/dbraw/zinc/22/03/61/1073220361.db2.gz KBIUVTRDYPIIQK-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000409262354 1073222365 /nfs/dbraw/zinc/22/23/65/1073222365.db2.gz GZVKZJYBPGLXCK-VFAFIFLJSA-N 0 0 547.496 5.155 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409262150 1073222734 /nfs/dbraw/zinc/22/27/34/1073222734.db2.gz CWKZJWIUHUSSCQ-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409262184 1073223087 /nfs/dbraw/zinc/22/30/87/1073223087.db2.gz DBRQRUZEVDPGTQ-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1C ZINC000409262214 1073223092 /nfs/dbraw/zinc/22/30/92/1073223092.db2.gz DHNVJVPMCSDFFD-QRVIBDJDSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409262224 1073223465 /nfs/dbraw/zinc/22/34/65/1073223465.db2.gz GBUMIBPVNQWSJI-IMRQLAEWSA-N 0 0 546.714 6.164 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c(C)c1 ZINC000409262109 1073224127 /nfs/dbraw/zinc/22/41/27/1073224127.db2.gz CSOPKUMASHMMQZ-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000409262129 1073224173 /nfs/dbraw/zinc/22/41/73/1073224173.db2.gz FIIUGVSQOWGBSG-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409261404 1073226594 /nfs/dbraw/zinc/22/65/94/1073226594.db2.gz BRCOZPXWLMSHOE-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409261063 1073229962 /nfs/dbraw/zinc/22/99/62/1073229962.db2.gz AQPYAWFDHCBHBT-PXNMLYILSA-N 0 0 516.950 5.216 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409260572 1073232775 /nfs/dbraw/zinc/23/27/75/1073232775.db2.gz SHVFKXACHJQFKO-YOBACFSGSA-N 0 0 543.497 6.973 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c(C)c1 ZINC000409260029 1073236578 /nfs/dbraw/zinc/23/65/78/1073236578.db2.gz JNEGLDQRYFSMTB-MYYYXRDXSA-N 0 0 516.688 6.652 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)SC1=S ZINC000409259810 1073236984 /nfs/dbraw/zinc/23/69/84/1073236984.db2.gz FWPUPTOCQYHGDN-BKUYFWCQSA-N 0 0 519.088 5.984 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)SC1=S ZINC000409259709 1073237914 /nfs/dbraw/zinc/23/79/14/1073237914.db2.gz CZVHSKVKESQJFP-XKZIYDEJSA-N 0 0 519.088 6.066 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409259115 1073241449 /nfs/dbraw/zinc/24/14/49/1073241449.db2.gz XOSXMVCSKYIGBW-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)SC1=S ZINC000409258931 1073242255 /nfs/dbraw/zinc/24/22/55/1073242255.db2.gz YIRMLIXHTDLTNG-FBHDLOMBSA-N 0 0 539.506 6.411 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)ccc1Br ZINC000409258884 1073243521 /nfs/dbraw/zinc/24/35/21/1073243521.db2.gz YBZBDMPAURJFNC-MTJSOVHGSA-N 0 0 543.464 5.769 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409258764 1073244715 /nfs/dbraw/zinc/24/47/15/1073244715.db2.gz VGYUAVJDGNCBLW-QETRNLNESA-N 0 0 537.106 6.937 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409258560 1073245179 /nfs/dbraw/zinc/24/51/79/1073245179.db2.gz UPZHTOXDENFWEF-GRSHGNNSSA-N 0 0 510.559 5.341 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409258614 1073245483 /nfs/dbraw/zinc/24/54/83/1073245483.db2.gz YHGPFHKYYYQPFV-OYKKKHCWSA-N 0 0 522.648 5.714 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258416 1073245933 /nfs/dbraw/zinc/24/59/33/1073245933.db2.gz WZESCVICEHXBKO-QQXSKIMKSA-N 0 0 547.702 5.801 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1 ZINC000409258116 1073247633 /nfs/dbraw/zinc/24/76/33/1073247633.db2.gz TXIKFKRJHZZVON-KSEXSDGBSA-N 0 0 543.497 6.979 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)SC1=S ZINC000409258131 1073248003 /nfs/dbraw/zinc/24/80/03/1073248003.db2.gz RNFJJIJBAVTFAA-NDENLUEZSA-N 0 0 535.485 5.395 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)SC2=S)cc1 ZINC000409272006 1073259650 /nfs/dbraw/zinc/25/96/50/1073259650.db2.gz XNPBLSOUUAAHID-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)c(C)c1 ZINC000409271256 1073264789 /nfs/dbraw/zinc/26/47/89/1073264789.db2.gz TTWMGQJRCDWIBC-RMORIDSASA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409270481 1073270184 /nfs/dbraw/zinc/27/01/84/1073270184.db2.gz QBXQLACZCUITDH-UHFFFAOYSA-N 0 0 701.517 6.518 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409270073 1073272937 /nfs/dbraw/zinc/27/29/37/1073272937.db2.gz BVQZRYZDYMOTEI-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2OC)cc1 ZINC000409269933 1073273275 /nfs/dbraw/zinc/27/32/75/1073273275.db2.gz BHUAUPXGVVOQBZ-UCQKPKSFSA-N 0 0 524.595 5.266 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1 ZINC000409270013 1073274145 /nfs/dbraw/zinc/27/41/45/1073274145.db2.gz NQCUOBHDAIRGOE-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000409269859 1073274995 /nfs/dbraw/zinc/27/49/95/1073274995.db2.gz AHMSFZUXYDBUFY-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1 ZINC000409269407 1073277867 /nfs/dbraw/zinc/27/78/67/1073277867.db2.gz IWVNOTZECHSOAL-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409268158 1073285591 /nfs/dbraw/zinc/28/55/91/1073285591.db2.gz QSWMVCZOQJVCKR-XYGWBWBKSA-N 0 0 518.660 5.495 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409268228 1073285900 /nfs/dbraw/zinc/28/59/00/1073285900.db2.gz ZVWRNXTUDQWPDD-SYERDGIWSA-N 0 0 522.570 5.103 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2OCC)cc1 ZINC000409268059 1073286691 /nfs/dbraw/zinc/28/66/91/1073286691.db2.gz YZSDZLXZMGLQPQ-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409267789 1073288391 /nfs/dbraw/zinc/28/83/91/1073288391.db2.gz XRGPRQHSLVZZJM-JAIQZWGSSA-N 0 0 535.485 5.393 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000225548613 193978555 /nfs/dbraw/zinc/97/85/55/193978555.db2.gz SXHHBWKNTYOUQZ-ZWXJPIIXSA-N 0 0 551.760 6.615 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408850387 195487942 /nfs/dbraw/zinc/48/79/42/195487942.db2.gz MSISNROTLLODJO-MUFRIFMGSA-N 0 0 652.556 6.245 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000409050199 195498784 /nfs/dbraw/zinc/49/87/84/195498784.db2.gz SLUGYELDVSQRSB-NSIKDUERSA-N 0 0 661.175 7.200 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409051942 195503378 /nfs/dbraw/zinc/50/33/78/195503378.db2.gz OUGDVMLDJJISHP-UUYOSTAYSA-N 0 0 534.917 7.936 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)SC2=S)cc1 ZINC000409230963 195505778 /nfs/dbraw/zinc/50/57/78/195505778.db2.gz HHFWCPHOXSIGGK-XYGWBWBKSA-N 0 0 550.658 5.526 40 10 KKCBRN Cc1cc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000000920544 551574274 /nfs/dbraw/zinc/57/42/74/551574274.db2.gz ZXLKLQWNMUDJOG-UHFFFAOYSA-N 0 0 530.669 6.601 40 10 KKCBRN COc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1c(C)cccc1C ZINC000000920513 551574281 /nfs/dbraw/zinc/57/42/81/551574281.db2.gz GGCRUVLRXAHQTH-UHFFFAOYSA-N 0 0 518.614 5.684 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000920573 551574320 /nfs/dbraw/zinc/57/43/20/551574320.db2.gz QXISAAXHAPETLH-UHFFFAOYSA-N 0 0 532.597 5.404 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000001312160 551639961 /nfs/dbraw/zinc/63/99/61/551639961.db2.gz SZHOIQKBLFLKSG-BGCQQSDPSA-N 0 0 518.352 5.029 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000001779093 551697976 /nfs/dbraw/zinc/69/79/76/551697976.db2.gz FADNXZFPFKRRCL-AYQJTBPPSA-N 0 0 560.049 7.055 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000002959811 552233470 /nfs/dbraw/zinc/23/34/70/552233470.db2.gz LZMPVYRJWANJHF-YVLHZVERSA-N 0 0 545.851 5.753 40 10 KKCBRN Cc1cc(C(=O)COC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003297503 552344078 /nfs/dbraw/zinc/34/40/78/552344078.db2.gz FDRAGSPTTAQLOR-ISELCYOASA-N 0 0 547.642 7.268 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000003890446 552421995 /nfs/dbraw/zinc/42/19/95/552421995.db2.gz JRVJUCZZXUJFAC-OVHMPLNNSA-N 0 0 548.672 6.296 40 10 KKCBRN O=C(Nc1ccc(Nc2cc(NC(=O)c3ccccc3)c3c(c2)C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004522766 552462615 /nfs/dbraw/zinc/46/26/15/552462615.db2.gz KCHGLSSMLRYWON-UHFFFAOYSA-N 0 0 667.677 7.486 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc(/N=N/c6ccccc6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004769140 552481148 /nfs/dbraw/zinc/48/11/48/552481148.db2.gz ZJEHXCIPPYQSCO-DUJPSWRBSA-N 0 0 594.884 11.669 40 10 KKCBRN COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000008738196 553130735 /nfs/dbraw/zinc/13/07/35/553130735.db2.gz AZHFMQNWSAANNP-WXFUMESZSA-N 0 0 514.375 5.056 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)c1 ZINC000008819205 553153983 /nfs/dbraw/zinc/15/39/83/553153983.db2.gz RYVIODIHOJWHTP-QNGOZBTKSA-N 0 0 509.678 5.363 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1OC ZINC000008819456 553154070 /nfs/dbraw/zinc/15/40/70/553154070.db2.gz PNPQNJHVTMAIGB-OCKHKDLRSA-N 0 0 511.452 5.631 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000008819533 553154238 /nfs/dbraw/zinc/15/42/38/553154238.db2.gz CHRGDTPTZNIGQO-AQTBWJFISA-N 0 0 508.543 5.112 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008819538 553154273 /nfs/dbraw/zinc/15/42/73/553154273.db2.gz VAKVCKAEJUJHJM-WQRHYEAKSA-N 0 0 509.436 5.400 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000008819736 553154500 /nfs/dbraw/zinc/15/45/00/553154500.db2.gz KZFLOFFHIRBEJW-QLYXXIJNSA-N 0 0 500.689 6.682 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000008819933 553154621 /nfs/dbraw/zinc/15/46/21/553154621.db2.gz KMXPMUCIYKYCDD-QNGOZBTKSA-N 0 0 505.061 5.758 40 10 KKCBRN CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000008819924 553154630 /nfs/dbraw/zinc/15/46/30/553154630.db2.gz HEASBQOTFTYCSE-QJOMJCCJSA-N 0 0 514.669 5.503 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000008820074 553154962 /nfs/dbraw/zinc/15/49/62/553154962.db2.gz ZUDVOHQICHHVAZ-JWGURIENSA-N 0 0 510.681 5.799 40 10 KKCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000008820251 553155403 /nfs/dbraw/zinc/15/54/03/553155403.db2.gz XGNHTMNZTZAJON-YBFXNURJSA-N 0 0 501.079 6.432 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(OCC)cc4)C3=O)SC2=S)cc1 ZINC000008870041 553171433 /nfs/dbraw/zinc/17/14/33/553171433.db2.gz WGQWSYRGNVYLKV-ISLYRVAYSA-N 0 0 502.664 5.125 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000008914182 553185738 /nfs/dbraw/zinc/18/57/38/553185738.db2.gz IYNZKUMEHZJJBH-SLQPCKNISA-N 0 0 506.945 5.738 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000008951885 553193804 /nfs/dbraw/zinc/19/38/04/553193804.db2.gz XIMPLXMALYPBLU-QFUYOXOXSA-N 0 0 513.019 5.452 40 10 KKCBRN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)c1 ZINC000008984179 553196198 /nfs/dbraw/zinc/19/61/98/553196198.db2.gz AUUPFZLQLGRTLJ-CLJVFQDKSA-N 0 0 504.612 5.352 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000008984549 553196443 /nfs/dbraw/zinc/19/64/43/553196443.db2.gz WPNQLRXTJUJQFG-BILFYHFOSA-N 0 0 512.591 5.533 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000008986337 553196571 /nfs/dbraw/zinc/19/65/71/553196571.db2.gz TWDMCAVFHGKNES-JEHUDBGOSA-N 0 0 525.678 6.537 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000009009636 553199515 /nfs/dbraw/zinc/19/95/15/553199515.db2.gz RWYGESQUSZSFBG-JCYYIGJDSA-N 0 0 501.538 5.605 40 10 KKCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000009030143 553201381 /nfs/dbraw/zinc/20/13/81/553201381.db2.gz JFHLMGOVPVJKHA-HKWRFOASSA-N 0 0 517.514 5.868 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111076 553210286 /nfs/dbraw/zinc/21/02/86/553210286.db2.gz IZIAOPADRCMXMO-YDCVZUCISA-N 0 0 506.602 5.284 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000009113035 553210590 /nfs/dbraw/zinc/21/05/90/553210590.db2.gz BRSUWIUZIFMIFP-PYAYSUMASA-N 0 0 506.628 5.435 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1 ZINC000009188570 553218033 /nfs/dbraw/zinc/21/80/33/553218033.db2.gz QUELTNJKKNRFNS-XKZIYDEJSA-N 0 0 501.551 6.699 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(C(C)(C)C)c1O ZINC000009188822 553218051 /nfs/dbraw/zinc/21/80/51/553218051.db2.gz RVFCDTNFSPTADY-BWAHOGKJSA-N 0 0 517.716 8.185 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000009189239 553218311 /nfs/dbraw/zinc/21/83/11/553218311.db2.gz RYVRVUXVZQKELP-ONUIUJJFSA-N 0 0 520.054 5.720 40 10 KKCBRN O=C(Nc1cc(Cl)cc(Cl)c1)Oc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000009232221 553223514 /nfs/dbraw/zinc/22/35/14/553223514.db2.gz QPJHYLCJCJKLSZ-POKCZJJJSA-N 0 0 509.436 5.985 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(Br)cc1O ZINC000009233645 553224591 /nfs/dbraw/zinc/22/45/91/553224591.db2.gz PGAJTSPEEREHEA-GIDUJCDVSA-N 0 0 501.221 5.332 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000009310443 553238883 /nfs/dbraw/zinc/23/88/83/553238883.db2.gz VWJWDZKXPXGALM-FYJGNVAPSA-N 0 0 515.037 6.814 40 10 KKCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 ZINC000009427687 553259997 /nfs/dbraw/zinc/25/99/97/553259997.db2.gz NYTVPOVKLSLXOR-OKAKFSPRSA-N 0 0 518.708 5.448 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000009659592 553293066 /nfs/dbraw/zinc/29/30/66/553293066.db2.gz WRIYNYRWDUMKJE-PDVTWIPRSA-N 0 0 514.538 5.029 40 10 KKCBRN O=C(c1ccccc1)N1c2ccc(Br)cc2[C@H]2C=CC[C@@H]2[C@@H]1c1ccc(Br)cc1 ZINC000009761180 553302859 /nfs/dbraw/zinc/30/28/59/553302859.db2.gz QPHZWGFJQIJOCO-HFMPRLQTSA-N 0 0 509.241 7.273 40 10 KKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1F ZINC000013025063 553435342 /nfs/dbraw/zinc/43/53/42/553435342.db2.gz ZTMMBIVYUOCROL-HHHXNRCGSA-N 0 0 505.590 5.011 40 10 KKCBRN CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025142 553435483 /nfs/dbraw/zinc/43/54/83/553435483.db2.gz QPJFDCOMFHAWRP-WVXBCFDCSA-N 0 0 529.681 6.077 40 10 KKCBRN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000013671261 553481991 /nfs/dbraw/zinc/48/19/91/553481991.db2.gz OZFCMVRFSPQTOX-UHFFFAOYSA-N 0 0 523.724 5.219 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)N=C2c2ccccc2)cc(Cl)c1OCC ZINC000013915000 553495578 /nfs/dbraw/zinc/49/55/78/553495578.db2.gz OKBDJELWVVRGQW-JCMHNJIXSA-N 0 0 504.970 5.759 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000013915145 553495597 /nfs/dbraw/zinc/49/55/97/553495597.db2.gz ZDEAIFPFDXYBDR-JJIBRWJFSA-N 0 0 504.633 5.157 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)SC2=S)cc1 ZINC000016292275 553559020 /nfs/dbraw/zinc/55/90/20/553559020.db2.gz UYQSDVCKRBVYDM-QRVIBDJDSA-N 0 0 511.024 6.537 40 10 KKCBRN O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000016524416 553566985 /nfs/dbraw/zinc/56/69/85/553566985.db2.gz QOLZDPWEVXBJFQ-UHFFFAOYSA-N 0 0 515.352 6.273 40 10 KKCBRN CCN(CC)C(=S)SCCN(CC)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000016678387 553571921 /nfs/dbraw/zinc/57/19/21/553571921.db2.gz VTRUNVHPVWFLCS-OCOZRVBESA-N 0 0 514.504 7.503 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)cc1 ZINC000016678626 553571953 /nfs/dbraw/zinc/57/19/53/553571953.db2.gz FLDVEDRPBRDMRN-UHFFFAOYSA-N 0 0 509.031 6.130 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000016689241 553573463 /nfs/dbraw/zinc/57/34/63/553573463.db2.gz UJWUNAIQIRUBDQ-MYYYXRDXSA-N 0 0 510.080 7.028 40 10 KKCBRN CCn1c2ccccc2c2cc(N)c(/N=N/c3cc(OC)c(/N=N/c4ccc([N+](=O)[O-])cc4)cc3OC)cc21 ZINC000017779788 553599671 /nfs/dbraw/zinc/59/96/71/553599671.db2.gz YYYCHOOQNHOCKU-RRPBDJRISA-N 0 0 523.553 8.153 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@H]32)cc1 ZINC000018107644 553604483 /nfs/dbraw/zinc/60/44/83/553604483.db2.gz ZJXSZRZUIHMEJF-OZNIXHKMSA-N 0 0 513.549 5.357 40 10 KKCBRN Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CCN([C@@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364872 553613836 /nfs/dbraw/zinc/61/38/36/553613836.db2.gz KPVZZCLJGKSYAA-ACHIHNKUSA-N 0 0 574.580 5.330 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000020288828 553633651 /nfs/dbraw/zinc/63/36/51/553633651.db2.gz FSJPGJPFBKGKRW-IMRQLAEWSA-N 0 0 515.013 5.696 40 10 KKCBRN O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c43)c21 ZINC000073329899 553653390 /nfs/dbraw/zinc/65/33/90/553653390.db2.gz NNOSNVDRJWZODO-UHFFFAOYSA-N 0 0 546.587 7.600 40 10 KKCBRN O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000073409625 553653926 /nfs/dbraw/zinc/65/39/26/553653926.db2.gz XIPFDLFRGVWTDZ-HSZRJFAPSA-N 0 0 523.332 7.024 40 10 KKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000083262022 553676281 /nfs/dbraw/zinc/67/62/81/553676281.db2.gz URZDJLBDCDZKKR-JJKYIXSRSA-N 0 0 521.660 9.090 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OCc1ccccc1 ZINC000083293488 553676349 /nfs/dbraw/zinc/67/63/49/553676349.db2.gz FSWQKQDCSWTCRV-FYJGNVAPSA-N 0 0 507.380 6.417 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2ccccc2F)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096398737 553753106 /nfs/dbraw/zinc/75/31/06/553753106.db2.gz BPMQYAWKGOTTMF-KZUCRRJESA-N 0 0 526.656 6.160 40 10 KKCBRN Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859574 553762158 /nfs/dbraw/zinc/76/21/58/553762158.db2.gz ZUMGLGKJKXIOPJ-ROJLCIKYSA-N 0 0 607.490 6.359 40 10 KKCBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000026642119 553819999 /nfs/dbraw/zinc/81/99/99/553819999.db2.gz RIRIRYOEWAUSNP-XYGWBWBKSA-N 0 0 520.632 6.071 40 10 KKCBRN N=C1/C(=C\c2ccc(OCCCOc3ccc(Cl)cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000026680977 553820030 /nfs/dbraw/zinc/82/00/30/553820030.db2.gz MRYLJGNZTUENFX-CEMFSNMMSA-N 0 0 516.022 6.492 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000097958559 553855919 /nfs/dbraw/zinc/85/59/19/553855919.db2.gz IZZOZNNSGIRSAZ-OAXZUEFOSA-N 0 0 553.482 6.236 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000097958706 553857057 /nfs/dbraw/zinc/85/70/57/553857057.db2.gz DCDSXHJRTSCBHA-ORAWNNOXSA-N 0 0 632.524 6.300 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125040 553866057 /nfs/dbraw/zinc/86/60/57/553866057.db2.gz GVPQZZUQSBUNDZ-STZFKDTASA-N 0 0 507.618 5.601 40 10 KKCBRN CCCc1nn2c(/C=C3/C(=N)N4N=C(C56CC7CC(CC(C7)C5)C6)SC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000097964301 553896903 /nfs/dbraw/zinc/89/69/03/553896903.db2.gz GRSUNXWEEPWLAA-OVXZKNBHSA-N 0 0 555.733 6.246 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000097964321 553897231 /nfs/dbraw/zinc/89/72/31/553897231.db2.gz QYVHUCNXHDSJKL-PBUJOQRKSA-N 0 0 545.974 6.172 40 10 KKCBRN Cc1ccccc1COc1ccc(Cl)cc1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O ZINC000097964364 553897490 /nfs/dbraw/zinc/89/74/90/553897490.db2.gz JQIYYFUTWIYOAC-PKJHAWMFSA-N 0 0 533.078 6.737 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000097964362 553897494 /nfs/dbraw/zinc/89/74/94/553897494.db2.gz YSVWANUDMDGDRL-UHSBVEPQSA-N 0 0 542.089 6.853 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=N)S1 ZINC000097964669 553899763 /nfs/dbraw/zinc/89/97/63/553899763.db2.gz ZXXMZCYXRUZMGN-ADZLKVMLSA-N 0 0 588.471 6.078 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000097964683 553900087 /nfs/dbraw/zinc/90/00/87/553900087.db2.gz AWVGODFCBHENMA-SHSFFGECSA-N 0 0 557.470 5.499 40 10 KKCBRN N=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964792 553900998 /nfs/dbraw/zinc/90/09/98/553900998.db2.gz TZLDYOPMDRCSIP-HBIIXJERSA-N 0 0 527.009 5.436 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000097964915 553901548 /nfs/dbraw/zinc/90/15/48/553901548.db2.gz GJZYMGNFBJPDJX-OBZBUQGGSA-N 0 0 577.062 5.813 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000097964896 553901580 /nfs/dbraw/zinc/90/15/80/553901580.db2.gz NMOMBSABZCKZIO-INKCSCAPSA-N 0 0 567.454 6.279 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000097964991 553902193 /nfs/dbraw/zinc/90/21/93/553902193.db2.gz IBJDZQLMIICIPG-QQXSKIMKSA-N 0 0 623.537 7.433 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000097972315 553966660 /nfs/dbraw/zinc/96/66/60/553966660.db2.gz GXSPBUGSTRYIEE-UDWIEESQSA-N 0 0 535.590 6.791 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979991 553984279 /nfs/dbraw/zinc/98/42/79/553984279.db2.gz OCKBIWXCNUZBMP-AWNFDRMXSA-N 0 0 558.726 7.174 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007406 554064102 /nfs/dbraw/zinc/06/41/02/554064102.db2.gz VSECMWWPNZFSJB-WWEDSPNTSA-N 0 0 550.105 5.025 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007408 554064134 /nfs/dbraw/zinc/06/41/34/554064134.db2.gz TUSBNAZTENHWPG-WWEDSPNTSA-N 0 0 568.095 5.164 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100088253 554209719 /nfs/dbraw/zinc/20/97/19/554209719.db2.gz XLZYKMAXXWEETE-UHFFFAOYSA-N 0 0 582.044 5.016 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000100120880 554224442 /nfs/dbraw/zinc/22/44/42/554224442.db2.gz ZMNPSEVWJBDGSK-HKBOAZHASA-N 0 0 525.866 5.054 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000037171022 554230835 /nfs/dbraw/zinc/23/08/35/554230835.db2.gz QVWPQQZTUKSIKP-BUEREQSYSA-N 0 0 524.886 8.133 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000100222826 554252046 /nfs/dbraw/zinc/25/20/46/554252046.db2.gz HEIYSFBGPAIXAK-HZHRSRAPSA-N 0 0 618.427 6.441 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OC ZINC000100229904 554255195 /nfs/dbraw/zinc/25/51/95/554255195.db2.gz JVPWWSYASOTEMT-LFVJCYFKSA-N 0 0 585.454 6.901 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100231379 554256908 /nfs/dbraw/zinc/25/69/08/554256908.db2.gz ZAKCRXFZQFYZKI-PXLXIMEGSA-N 0 0 526.477 6.833 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100231357 554256933 /nfs/dbraw/zinc/25/69/33/554256933.db2.gz ISBQSGNDHYTBHL-HYARGMPZSA-N 0 0 544.467 6.972 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100231493 554256959 /nfs/dbraw/zinc/25/69/59/554256959.db2.gz PMQMERPGQSSYCZ-OEAKJJBVSA-N 0 0 558.494 6.967 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100231485 554256963 /nfs/dbraw/zinc/25/69/63/554256963.db2.gz AIBQTZGNLNNFNO-OEAKJJBVSA-N 0 0 558.494 6.967 40 10 KKCBRN CCOc1ccc(C2=C/C(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100239286 554259998 /nfs/dbraw/zinc/25/99/98/554259998.db2.gz KAJJBGIUKRMUJX-HFTWOUSFSA-N 0 0 554.602 8.100 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100266798 554267147 /nfs/dbraw/zinc/26/71/47/554267147.db2.gz DEFKFJPQTSJTRY-IVTJYZMTSA-N 0 0 584.698 6.149 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100267847 554267918 /nfs/dbraw/zinc/26/79/18/554267918.db2.gz CLUOYJGLPUMTDS-HAUMYEHISA-N 0 0 534.682 6.116 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000100269843 554268762 /nfs/dbraw/zinc/26/87/62/554268762.db2.gz QROSWCMDGPWFAH-JCMHNJIXSA-N 0 0 576.921 6.975 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000100286202 554280275 /nfs/dbraw/zinc/28/02/75/554280275.db2.gz ZIVIMSHYROSRCF-AOJNWGRGSA-N 0 0 533.378 6.224 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000039793821 554281073 /nfs/dbraw/zinc/28/10/73/554281073.db2.gz VIUAQVYUOZCQNU-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000040846790 554291364 /nfs/dbraw/zinc/29/13/64/554291364.db2.gz DWRNICOKACWJDY-UUYOSTAYSA-N 0 0 502.444 6.987 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000040940379 554291633 /nfs/dbraw/zinc/29/16/33/554291633.db2.gz XHICPXZXDRNHPL-GZTJUZNOSA-N 0 0 511.850 5.438 40 10 KKCBRN N=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076379 554291969 /nfs/dbraw/zinc/29/19/69/554291969.db2.gz XSUJDCOQGFKPTI-WGFMVCJGSA-N 0 0 502.043 6.542 40 10 KKCBRN N=C1/C(=C/c2cc3ccccc3n2Cc2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076314 554292023 /nfs/dbraw/zinc/29/20/23/554292023.db2.gz CWYREFYAABISHC-HEGYIJAASA-N 0 0 519.586 5.280 40 10 KKCBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1Cl ZINC000041108302 554295163 /nfs/dbraw/zinc/29/51/63/554295163.db2.gz ZUODPDADRGSIEC-ADZLKVMLSA-N 0 0 505.987 5.146 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)cc1 ZINC000041108005 554295277 /nfs/dbraw/zinc/29/52/77/554295277.db2.gz XNGDCBZMJRVUMC-UHSBVEPQSA-N 0 0 510.022 6.319 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000100323697 554307536 /nfs/dbraw/zinc/30/75/36/554307536.db2.gz SSSJOJSAZKEFMI-XKZIYDEJSA-N 0 0 591.467 6.419 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc(OC)c1OC ZINC000100323583 554307567 /nfs/dbraw/zinc/30/75/67/554307567.db2.gz RBFSGPYGEIQSSO-KEBDBYFISA-N 0 0 576.121 5.253 40 10 KKCBRN COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000100332875 554315401 /nfs/dbraw/zinc/31/54/01/554315401.db2.gz SLCOMVYUXPKNBW-XIFFEERXSA-N 0 0 552.719 6.004 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)O2)cc1 ZINC000100340856 554325158 /nfs/dbraw/zinc/32/51/58/554325158.db2.gz RVPLWIVFXZNCCK-XDHOZWIPSA-N 0 0 542.223 6.781 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)O2)cc1 ZINC000100340843 554325177 /nfs/dbraw/zinc/32/51/77/554325177.db2.gz URYXNLXHIITIOB-GIJQJNRQSA-N 0 0 562.243 7.333 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000100345735 554329879 /nfs/dbraw/zinc/32/98/79/554329879.db2.gz LWHVFFHFFKRQKM-LPYMAVHISA-N 0 0 530.440 6.582 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(I)ccc4Cl)ccc3o2)cc1 ZINC000100380723 554362835 /nfs/dbraw/zinc/36/28/35/554362835.db2.gz VPYZQGFUJGKUGF-UHFFFAOYSA-N 0 0 545.808 6.851 40 10 KKCBRN COc1cc(CNc2ccc(Nc3ccccc3)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000100384438 554364417 /nfs/dbraw/zinc/36/44/17/554364417.db2.gz LBQSELCVLNTSKK-UHFFFAOYSA-N 0 0 558.303 8.699 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058846183 554366102 /nfs/dbraw/zinc/36/61/02/554366102.db2.gz GIRABEJJVBKTDL-FYQCMVGJSA-N 0 0 505.596 5.793 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058846776 554366473 /nfs/dbraw/zinc/36/64/73/554366473.db2.gz NFTSOHWSRUVAKD-OREGWCPLSA-N 0 0 513.490 7.744 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846861 554366514 /nfs/dbraw/zinc/36/65/14/554366514.db2.gz GYLNQSUAIHVHKY-PVTPYKNESA-N 0 0 502.680 7.225 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847739 554367083 /nfs/dbraw/zinc/36/70/83/554367083.db2.gz RJICHODMSUNRRI-YYULODDRSA-N 0 0 515.418 6.349 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847834 554367478 /nfs/dbraw/zinc/36/74/78/554367478.db2.gz KSVUCHGMFMSHCZ-GLDPYIMESA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848304 554367641 /nfs/dbraw/zinc/36/76/41/554367641.db2.gz DLMWJYBXFBEJJM-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848307 554367621 /nfs/dbraw/zinc/36/76/21/554367621.db2.gz HWOJCZGBPQWHMY-DFIYOIEZSA-N 0 0 511.441 6.085 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848312 554367647 /nfs/dbraw/zinc/36/76/47/554367647.db2.gz URAGLVFOBMNHBF-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000058848464 554368040 /nfs/dbraw/zinc/36/80/40/554368040.db2.gz LLHIBHRIBNLOMA-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058848451 554368152 /nfs/dbraw/zinc/36/81/52/554368152.db2.gz MTZGKGHYHXSHQE-DFIYOIEZSA-N 0 0 501.435 6.629 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058848863 554368344 /nfs/dbraw/zinc/36/83/44/554368344.db2.gz ODWCICDGQLBTME-CTVOUCONSA-N 0 0 520.651 6.120 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1 ZINC000058848661 554368366 /nfs/dbraw/zinc/36/83/66/554368366.db2.gz VWVZXZATHZJGDK-IWVFXYMLSA-N 0 0 504.652 6.500 40 10 KKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849200 554368783 /nfs/dbraw/zinc/36/87/83/554368783.db2.gz QHVQMKVVYNZWAL-WTNLLYQRSA-N 0 0 508.643 7.415 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c(OC)c1 ZINC000058849328 554368794 /nfs/dbraw/zinc/36/87/94/554368794.db2.gz KLUHPUPGEUUORI-ASHZAFPQSA-N 0 0 506.580 5.060 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100415595 554381863 /nfs/dbraw/zinc/38/18/63/554381863.db2.gz QDQSFUMAWCMQIU-HKBOAZHASA-N 0 0 560.311 5.707 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000059484878 554397859 /nfs/dbraw/zinc/39/78/59/554397859.db2.gz CDYSCBNNBODBGP-HZHRSRAPSA-N 0 0 501.369 7.038 40 10 KKCBRN S=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000059608371 554410973 /nfs/dbraw/zinc/41/09/73/554410973.db2.gz QXYGCCLIFOOLPM-UHFFFAOYSA-N 0 0 532.756 6.583 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=S)cc1 ZINC000059609021 554411903 /nfs/dbraw/zinc/41/19/03/554411903.db2.gz YXJPKZGWXHFSRD-YUMHPJSZSA-N 0 0 560.538 7.891 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=S)cc1 ZINC000059609082 554412152 /nfs/dbraw/zinc/41/21/52/554412152.db2.gz HVBPALFMIXVDBF-YUMHPJSZSA-N 0 0 576.537 7.591 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000059609100 554412193 /nfs/dbraw/zinc/41/21/93/554412193.db2.gz XTXBBKXROKHBHU-MXAYSNPKSA-N 0 0 560.524 7.381 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000059690657 554424599 /nfs/dbraw/zinc/42/45/99/554424599.db2.gz FLAKQJCECQXMAY-XKZIYDEJSA-N 0 0 583.116 6.204 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100741167 554463128 /nfs/dbraw/zinc/46/31/28/554463128.db2.gz YCHLDQUWABZTKE-NJYVYQBISA-N 0 0 526.759 5.342 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1 ZINC000100912550 554518283 /nfs/dbraw/zinc/51/82/83/554518283.db2.gz QLVBFBXCFBFVMS-IMRQLAEWSA-N 0 0 614.711 7.693 40 10 KKCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c1 ZINC000100922857 554522914 /nfs/dbraw/zinc/52/29/14/554522914.db2.gz PKGCHEPSVUZENS-UXRUFTSHSA-N 0 0 520.593 5.446 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000100926063 554523968 /nfs/dbraw/zinc/52/39/68/554523968.db2.gz HEYUAXZEEQOBTC-WSDLNYQXSA-N 0 0 523.548 5.705 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000100946851 554534890 /nfs/dbraw/zinc/53/48/90/554534890.db2.gz WPJGVSXDQGJABQ-ASUJOLEISA-N 0 0 531.656 5.865 40 10 KKCBRN O=C(Nc1ccc(Br)cc1)Oc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000100994639 554550551 /nfs/dbraw/zinc/55/05/51/554550551.db2.gz UNECELRMGASBPQ-LSCADSNKSA-N 0 0 519.442 5.440 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101002191 554552627 /nfs/dbraw/zinc/55/26/27/554552627.db2.gz YRQKHZGGEGMCRY-UNOMPAQXSA-N 0 0 612.518 6.745 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)sc2c1CCCC2 ZINC000101002603 554553041 /nfs/dbraw/zinc/55/30/41/554553041.db2.gz MQKUUSKSIAJLGI-UYRXBGFRSA-N 0 0 530.693 5.042 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000101006081 554553966 /nfs/dbraw/zinc/55/39/66/554553966.db2.gz SHCYVJGCIFKBAF-ULJHMMPZSA-N 0 0 546.695 6.284 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000101006105 554553991 /nfs/dbraw/zinc/55/39/91/554553991.db2.gz BIUHTYCVPDZHHT-NVMNQCDNSA-N 0 0 528.961 5.708 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000101006524 554554192 /nfs/dbraw/zinc/55/41/92/554554192.db2.gz MKAGVUBCYCUHTK-ULJHMMPZSA-N 0 0 535.760 6.751 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101006241 554554202 /nfs/dbraw/zinc/55/42/02/554554202.db2.gz WFESNIRKRFOMKA-CFRMEGHHSA-N 0 0 567.113 6.880 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101006186 554554210 /nfs/dbraw/zinc/55/42/10/554554210.db2.gz XENQKAMKCKBHCY-NHDPSOOVSA-N 0 0 558.106 5.736 40 10 KKCBRN COc1ccc(/C=C2/SC(N3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccccc5)SC4=S)CC3)=NC2=O)cc1 ZINC000101006395 554554216 /nfs/dbraw/zinc/55/42/16/554554216.db2.gz KAMKPTOSWDGZLF-IGTPHTRBSA-N 0 0 620.822 5.272 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC ZINC000101006865 554554570 /nfs/dbraw/zinc/55/45/70/554554570.db2.gz PUCUVSOLKXBJRL-UQQQWYQISA-N 0 0 581.785 6.460 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000101007108 554555001 /nfs/dbraw/zinc/55/50/01/554555001.db2.gz JUVSJVYEDTVEID-MOSHPQCFSA-N 0 0 537.490 6.180 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000101007122 554555017 /nfs/dbraw/zinc/55/50/17/554555017.db2.gz ZHFUPWBKJDNWKI-HKWRFOASSA-N 0 0 547.496 5.636 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000101007222 554555182 /nfs/dbraw/zinc/55/51/82/554555182.db2.gz RPVSJQHBTIZMOL-MEFGMAGPSA-N 0 0 558.725 6.468 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)sc2c1CCCC2 ZINC000101007322 554555184 /nfs/dbraw/zinc/55/51/84/554555184.db2.gz ZBMJABXKJUQQOK-PGMHBOJBSA-N 0 0 577.193 6.857 40 10 KKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007589 554555426 /nfs/dbraw/zinc/55/54/26/554555426.db2.gz VGHIDGBSPRKKBU-NZCXTDTASA-N 0 0 545.633 6.149 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000101007770 554555677 /nfs/dbraw/zinc/55/56/77/554555677.db2.gz CBEIBSNWXUJMNN-QIROLCGISA-N 0 0 525.017 6.925 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(I)cc1 ZINC000101007696 554555708 /nfs/dbraw/zinc/55/57/08/554555708.db2.gz IFPXYMFEOMJXTK-DURWOYGOSA-N 0 0 534.444 5.468 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101008216 554556326 /nfs/dbraw/zinc/55/63/26/554556326.db2.gz PRVYZDZPLMNMKE-BUVRLJJBSA-N 0 0 537.131 7.459 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C\c4ccccc4Cl)SC3=S)s2)cc1 ZINC000101008293 554556651 /nfs/dbraw/zinc/55/66/51/554556651.db2.gz OKKYNUAAUKGINF-KGENOOAVSA-N 0 0 528.124 6.316 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000101016918 554560620 /nfs/dbraw/zinc/56/06/20/554560620.db2.gz JSMLLSBHRXWQTQ-BUHFOSPRSA-N 0 0 519.428 5.913 40 10 KKCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S ZINC000101108170 554640516 /nfs/dbraw/zinc/64/05/16/554640516.db2.gz VCDZCIZMIIVAAE-JAIQZWGSSA-N 0 0 526.463 5.735 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545447 554795935 /nfs/dbraw/zinc/79/59/35/554795935.db2.gz PWNZHMGUKNBWCA-KWXIBIRDSA-N 0 0 544.529 5.686 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545440 554795940 /nfs/dbraw/zinc/79/59/40/554795940.db2.gz VOTPFNDFFDWDFZ-ZONZVBGPSA-N 0 0 555.428 5.430 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000101573968 554798277 /nfs/dbraw/zinc/79/82/77/554798277.db2.gz CKHLQLXBLMOFFC-ONUIUJJFSA-N 0 0 541.604 5.394 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000101581841 554800101 /nfs/dbraw/zinc/80/01/01/554800101.db2.gz NKORXINQFSBMHP-PXLXIMEGSA-N 0 0 512.953 5.493 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590400 554802555 /nfs/dbraw/zinc/80/25/55/554802555.db2.gz HFTXTZBLQVGJSF-JFHPUIQFSA-N 0 0 557.577 6.067 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101601985 554804277 /nfs/dbraw/zinc/80/42/77/554804277.db2.gz OGCQSQSXOXUTFV-ZZQPOVDQSA-N 0 0 572.630 6.694 40 10 KKCBRN CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000101741153 554834225 /nfs/dbraw/zinc/83/42/25/554834225.db2.gz HWICNKJSTLTKFM-DEDYPNTBSA-N 0 0 536.469 5.191 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000101896697 554847156 /nfs/dbraw/zinc/84/71/56/554847156.db2.gz CXNVZFKOIOGNGI-OYKKKHCWSA-N 0 0 529.555 6.854 40 10 KKCBRN O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)Oc1ccc(Br)cc1 ZINC000102314192 554910583 /nfs/dbraw/zinc/91/05/83/554910583.db2.gz INNDXYQWMURHDN-SNBKPDPGSA-N 0 0 542.648 7.761 40 10 KKCBRN COc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c3ccccc32)cc1 ZINC000102464352 554935683 /nfs/dbraw/zinc/93/56/83/554935683.db2.gz BZJDVDOFOUKUTJ-JJXZISMASA-N 0 0 584.702 5.141 40 10 KKCBRN CC1=CN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)c(Br)c3)C2=N)S1 ZINC000102464683 554935766 /nfs/dbraw/zinc/93/57/66/554935766.db2.gz HYTNAOPRJHYBIY-DDSBZIKFSA-N 0 0 540.483 6.371 40 10 KKCBRN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)cc1 ZINC000102469312 554936136 /nfs/dbraw/zinc/93/61/36/554936136.db2.gz HBCBIBZKFPVAHB-JOFJPVPMSA-N 0 0 526.456 5.981 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000102470768 554936404 /nfs/dbraw/zinc/93/64/04/554936404.db2.gz ALCWMLNUFFCJMB-JTTMBOACSA-N 0 0 552.457 6.606 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102545499 554959073 /nfs/dbraw/zinc/95/90/73/554959073.db2.gz GMCMRZAATVOCBV-YKILCQELSA-N 0 0 573.620 6.468 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000102621905 554987453 /nfs/dbraw/zinc/98/74/53/554987453.db2.gz QJUQTZVSOVKKIY-JLPGSUDCSA-N 0 0 538.978 8.197 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102887922 555120529 /nfs/dbraw/zinc/12/05/29/555120529.db2.gz DOVCGDWFDCGJGR-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102889371 555123559 /nfs/dbraw/zinc/12/35/59/555123559.db2.gz IQFSCGIHGAVKRT-NGDRWEMDSA-N 0 0 594.038 6.813 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102890407 555125573 /nfs/dbraw/zinc/12/55/73/555125573.db2.gz WBMKCXXNTCHXOJ-IDZRBWSNSA-N 0 0 564.468 7.618 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102891419 555127171 /nfs/dbraw/zinc/12/71/71/555127171.db2.gz TYFIRTAJYANBAT-DYIKCSJPSA-N 0 0 598.913 8.272 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102895322 555134394 /nfs/dbraw/zinc/13/43/94/555134394.db2.gz DFFWJZSCXOUYIE-GSBZAIBZSA-N 0 0 560.581 5.648 40 10 KKCBRN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060537 555241790 /nfs/dbraw/zinc/24/17/90/555241790.db2.gz QDRHTFDQEJVLLQ-FXGRCBAUSA-N 0 0 576.737 7.016 40 10 KKCBRN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 ZINC000103234842 555342068 /nfs/dbraw/zinc/34/20/68/555342068.db2.gz OJZQCONFQNCXOH-XYWDKFFTSA-N 0 0 530.698 5.629 40 10 KKCBRN N=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN21 ZINC000103244729 555343075 /nfs/dbraw/zinc/34/30/75/555343075.db2.gz HJNPDMCIMAHNMM-PRKWUXEWSA-N 0 0 546.656 5.474 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103531707 555431944 /nfs/dbraw/zinc/43/19/44/555431944.db2.gz AIZCHOJOLGEWAW-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103532245 555432598 /nfs/dbraw/zinc/43/25/98/555432598.db2.gz PBDXHYMPLMNADN-TWJOJJKGSA-N 0 0 530.451 7.042 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103541273 555438450 /nfs/dbraw/zinc/43/84/50/555438450.db2.gz CGJABXVVKWJQAL-HFZZWTFOSA-N 0 0 562.710 6.482 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103544420 555439619 /nfs/dbraw/zinc/43/96/19/555439619.db2.gz ISEWXFCJNJVHEZ-YTCPBCGMSA-N 0 0 562.025 5.910 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103548025 555441988 /nfs/dbraw/zinc/44/19/88/555441988.db2.gz SWIKTGVFLMYNKU-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103554037 555445076 /nfs/dbraw/zinc/44/50/76/555445076.db2.gz TYPUAOICAJPLCK-IDZRBWSNSA-N 0 0 580.467 7.318 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103553669 555445116 /nfs/dbraw/zinc/44/51/16/555445116.db2.gz VLOVLBXJHQXPEU-WKNISULPSA-N 0 0 567.685 7.210 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1 ZINC000103554070 555445589 /nfs/dbraw/zinc/44/55/89/555445589.db2.gz FRKAYTLEXGBJOU-IDZRBWSNSA-N 0 0 540.575 6.220 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000103555723 555445861 /nfs/dbraw/zinc/44/58/61/555445861.db2.gz RKPXTWXRZURGIQ-IDZRBWSNSA-N 0 0 575.020 6.873 40 10 KKCBRN CCOc1c(I)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000103759036 555470850 /nfs/dbraw/zinc/47/08/50/555470850.db2.gz WJLQMLASIJVSIL-UHFFFAOYSA-N 0 0 596.421 5.899 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O ZINC000103760356 555471080 /nfs/dbraw/zinc/47/10/80/555471080.db2.gz PXKCWIMEKGGFGH-UHFFFAOYSA-N 0 0 598.462 5.761 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789774 555479354 /nfs/dbraw/zinc/47/93/54/555479354.db2.gz GIJZLCOXUAOZMP-PKYOQBLNSA-N 0 0 584.698 5.237 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103790963 555480521 /nfs/dbraw/zinc/48/05/21/555480521.db2.gz TYASMWKWTYQRBA-SAGCDJCOSA-N 0 0 622.588 6.497 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103790968 555480532 /nfs/dbraw/zinc/48/05/32/555480532.db2.gz TYASMWKWTYQRBA-GSTVVXAASA-N 0 0 622.588 6.497 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000103790890 555480595 /nfs/dbraw/zinc/48/05/95/555480595.db2.gz UENUGPYLKZIRDA-MRWVFDTMSA-N 0 0 593.108 6.288 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000103791622 555481002 /nfs/dbraw/zinc/48/10/02/555481002.db2.gz DFQSOCHUFCAQLN-SZYVSPPHSA-N 0 0 572.130 6.580 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103791694 555481364 /nfs/dbraw/zinc/48/13/64/555481364.db2.gz PPUXPJZKZLSLNB-IPAKXIGBSA-N 0 0 588.585 7.095 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103853722 571365880 /nfs/dbraw/zinc/36/58/80/571365880.db2.gz VFFPEFIMBYSKTI-UHFFFAOYSA-N 0 0 529.518 6.696 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000103855127 571365885 /nfs/dbraw/zinc/36/58/85/571365885.db2.gz SSVWHYVLPJCTBZ-YZSQISJMSA-N 0 0 550.571 5.903 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000103854847 571365894 /nfs/dbraw/zinc/36/58/94/571365894.db2.gz ODQIBZPULSPTQI-OVVQPSECSA-N 0 0 540.019 6.335 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000103854781 571365903 /nfs/dbraw/zinc/36/59/03/571365903.db2.gz SUYFHYSYSSZCSU-CJLVFECKSA-N 0 0 531.634 5.220 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000103855040 571365908 /nfs/dbraw/zinc/36/59/08/571365908.db2.gz KWQZCWVUDTVFNA-ZTKZIYFRSA-N 0 0 547.611 6.163 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000103855259 571366010 /nfs/dbraw/zinc/36/60/10/571366010.db2.gz JCEFLFYVINOFDP-PCLIKHOPSA-N 0 0 572.434 6.888 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000103858208 571366488 /nfs/dbraw/zinc/36/64/88/571366488.db2.gz CWLOLIQXPYMBTR-HYARGMPZSA-N 0 0 535.394 5.402 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000103865972 571367991 /nfs/dbraw/zinc/36/79/91/571367991.db2.gz PNWADIYEBKKXSA-UHFFFAOYSA-N 0 0 579.859 7.430 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103895057 571368854 /nfs/dbraw/zinc/36/88/54/571368854.db2.gz DAWJBEPZSIFPEM-IMWIBFENSA-N 0 0 564.829 8.535 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000103913608 571369506 /nfs/dbraw/zinc/36/95/06/571369506.db2.gz SEYJAVGCRARXRN-MRWVFDTMSA-N 0 0 566.101 6.519 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000103922097 571369838 /nfs/dbraw/zinc/36/98/38/571369838.db2.gz JKOIDWDDZQKRJK-IMRQLAEWSA-N 0 0 537.645 5.652 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000103948460 571370472 /nfs/dbraw/zinc/37/04/72/571370472.db2.gz MZIGKIGNTLXAOD-JQBRQSIZSA-N 0 0 560.938 7.531 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000104140219 571374736 /nfs/dbraw/zinc/37/47/36/571374736.db2.gz YIXIEZKOHMTYHW-ROCBYOHGSA-N 0 0 592.651 6.568 40 10 KKCBRN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000104421599 571380999 /nfs/dbraw/zinc/38/09/99/571380999.db2.gz MDEUMOYZCDPAAQ-QCBOHVIISA-N 0 0 561.657 7.764 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000104660613 571384976 /nfs/dbraw/zinc/38/49/76/571384976.db2.gz WAHXGLCCMKTBOB-UHFFFAOYSA-N 0 0 522.189 5.544 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c(C)c1 ZINC000104645850 571381865 /nfs/dbraw/zinc/38/18/65/571381865.db2.gz DPDIZQIKQSBHNJ-FISMMAAMSA-N 0 0 581.694 7.418 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646385 571381914 /nfs/dbraw/zinc/38/19/14/571381914.db2.gz IYLKJYHSIDXBCL-AARCXHMLSA-N 0 0 534.725 8.278 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646376 571381982 /nfs/dbraw/zinc/38/19/82/571381982.db2.gz LLCIOCIFOIZQDB-JLELKNTQSA-N 0 0 601.522 7.472 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647072 571382040 /nfs/dbraw/zinc/38/20/40/571382040.db2.gz MZIABHHQMPREDW-SRGWNRLKSA-N 0 0 550.851 7.182 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647089 571382058 /nfs/dbraw/zinc/38/20/58/571382058.db2.gz DVSBHQHMCPNZSQ-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646834 571382062 /nfs/dbraw/zinc/38/20/62/571382062.db2.gz FRJVTXPNYRISBV-DFIYOIEZSA-N 0 0 545.886 6.738 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647093 571382070 /nfs/dbraw/zinc/38/20/70/571382070.db2.gz YLBVCBZABYCZMU-DXMSMQRWSA-N 0 0 540.299 7.928 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646847 571382095 /nfs/dbraw/zinc/38/20/95/571382095.db2.gz IORISQUSDDFHND-ATLLOTDBSA-N 0 0 559.869 6.459 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647217 571382149 /nfs/dbraw/zinc/38/21/49/571382149.db2.gz OKEADDVVCRZJSP-SRGWNRLKSA-N 0 0 540.299 7.928 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647393 571382222 /nfs/dbraw/zinc/38/22/22/571382222.db2.gz GWYUSVNMSOZKHL-GLDPYIMESA-N 0 0 550.851 7.182 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647598 571382280 /nfs/dbraw/zinc/38/22/80/571382280.db2.gz RSHADHBQFOIPCC-GNBJCERTSA-N 0 0 526.014 6.193 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648323 571382431 /nfs/dbraw/zinc/38/24/31/571382431.db2.gz NSXWKONKRNEHQJ-CLCZQPDDSA-N 0 0 539.495 6.864 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648346 571382443 /nfs/dbraw/zinc/38/24/43/571382443.db2.gz SGMKOPYOWRAKCS-SXDGJLEOSA-N 0 0 569.521 6.874 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648399 571382465 /nfs/dbraw/zinc/38/24/65/571382465.db2.gz SPAYHBOZVATTPE-GLDPYIMESA-N 0 0 549.958 6.894 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648060 571382477 /nfs/dbraw/zinc/38/24/77/571382477.db2.gz QPGFLJCJLMLXFL-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648352 571382509 /nfs/dbraw/zinc/38/25/09/571382509.db2.gz PEZMMUJJLJDZIW-ATLLOTDBSA-N 0 0 604.320 6.568 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648272 571382515 /nfs/dbraw/zinc/38/25/15/571382515.db2.gz UUWIVZQPLRYHSI-DFIYOIEZSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104648330 571382541 /nfs/dbraw/zinc/38/25/41/571382541.db2.gz YGSASBWAQHRCOI-DFIYOIEZSA-N 0 0 590.337 6.848 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648441 571382604 /nfs/dbraw/zinc/38/26/04/571382604.db2.gz ZPVZNNRPTMKQTD-UZINWLIJSA-N 0 0 530.568 6.350 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000104648573 571382615 /nfs/dbraw/zinc/38/26/15/571382615.db2.gz YVURYPIDDPGIEN-XLNZFTOWSA-N 0 0 539.406 7.640 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648675 571382627 /nfs/dbraw/zinc/38/26/27/571382627.db2.gz OJIFFTJRRKAVES-ATLLOTDBSA-N 0 0 565.013 7.003 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104649233 571382795 /nfs/dbraw/zinc/38/27/95/571382795.db2.gz OXRBDNKJHVUPFM-FVXXUCQHSA-N 0 0 563.506 8.413 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000104649194 571382802 /nfs/dbraw/zinc/38/28/02/571382802.db2.gz RJZQYCJFPJDWEH-FVXXUCQHSA-N 0 0 529.061 7.760 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649330 571382856 /nfs/dbraw/zinc/38/28/56/571382856.db2.gz IKDMNXVFZYJZBJ-PVTPYKNESA-N 0 0 539.613 7.014 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649160 571382868 /nfs/dbraw/zinc/38/28/68/571382868.db2.gz XXKCQBLCSZFGJJ-WNGDZKDKSA-N 0 0 569.477 6.204 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649393 571383026 /nfs/dbraw/zinc/38/30/26/571383026.db2.gz RQYOHVYWVABGTA-JLELKNTQSA-N 0 0 617.521 7.597 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649970 571383163 /nfs/dbraw/zinc/38/31/63/571383163.db2.gz NQUWEWORTHRBHA-WNGDZKDKSA-N 0 0 569.477 6.122 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104650296 571383255 /nfs/dbraw/zinc/38/32/55/571383255.db2.gz UNMKYYDQAGFTDG-FONBTEPMSA-N 0 0 575.484 6.958 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104650288 571383342 /nfs/dbraw/zinc/38/33/42/571383342.db2.gz OQWRUEOCXZOQJJ-NSTRGFCRSA-N 0 0 540.685 7.265 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655416 571383664 /nfs/dbraw/zinc/38/36/64/571383664.db2.gz JVBPUZCKZHLCBW-GSTVVXAASA-N 0 0 561.682 5.874 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000104659649 571384911 /nfs/dbraw/zinc/38/49/11/571384911.db2.gz GCAABVMIQKUDEL-OGMUYLFESA-N 0 0 592.562 6.489 40 10 KKCBRN O=C1/C(=C\c2ccc(O)cc2)N=C(c2ccccc2)N1c1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)N=C2c2ccccc2)n1 ZINC000104831019 571386819 /nfs/dbraw/zinc/38/68/19/571386819.db2.gz WOEWFADSYJHUNK-KURJDURESA-N 0 0 603.638 6.162 40 10 KKCBRN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000105026706 571389950 /nfs/dbraw/zinc/38/99/50/571389950.db2.gz LGPFBTMPFONZEG-ZHZULCJRSA-N 0 0 526.228 6.445 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303618 571392746 /nfs/dbraw/zinc/39/27/46/571392746.db2.gz KUUQTHREIGYTSH-JXMROGBWSA-N 0 0 561.447 5.407 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000105304756 571393340 /nfs/dbraw/zinc/39/33/40/571393340.db2.gz WXZVFOKJCQOJRR-UHFFFAOYSA-N 0 0 529.832 7.265 40 10 KKCBRN COc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc2ccccc2c1Br ZINC000105308906 571395325 /nfs/dbraw/zinc/39/53/25/571395325.db2.gz PTEGTWPETLLZAW-UHFFFAOYSA-N 0 0 553.865 6.622 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000222799021 571399280 /nfs/dbraw/zinc/39/92/80/571399280.db2.gz ZCCHBZHRPXZOIH-UHFFFAOYSA-N 0 0 554.034 5.717 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499273 571406072 /nfs/dbraw/zinc/40/60/72/571406072.db2.gz JUTPXZHULGPZBT-YWEMJKAQSA-N 0 0 619.812 6.595 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106689309 571413987 /nfs/dbraw/zinc/41/39/87/571413987.db2.gz YJDYURSAVAAXLL-DICXZTSXSA-N 0 0 539.528 8.685 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106695097 571414056 /nfs/dbraw/zinc/41/40/56/571414056.db2.gz AYLBTRZVUDVBCX-QFEZKATASA-N 0 0 570.484 6.069 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106696564 571414139 /nfs/dbraw/zinc/41/41/39/571414139.db2.gz STJIAENUDRDPJH-UUYOSTAYSA-N 0 0 546.405 6.383 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106697103 571414205 /nfs/dbraw/zinc/41/42/05/571414205.db2.gz LYVQERSPJSXECB-YSMPRRRNSA-N 0 0 534.613 6.368 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106698230 571414287 /nfs/dbraw/zinc/41/42/87/571414287.db2.gz XKCIOQNWUMHPIR-UUYOSTAYSA-N 0 0 513.432 6.849 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccccc5Cl)C4=O)c3C)cc2)cc1 ZINC000106699878 571414400 /nfs/dbraw/zinc/41/44/00/571414400.db2.gz QDXASTQJWFSNFD-QRQIAZFYSA-N 0 0 545.060 7.785 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106700419 571414523 /nfs/dbraw/zinc/41/45/23/571414523.db2.gz IBMXGWQXORXPAG-QFEZKATASA-N 0 0 551.893 7.900 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106724705 571416249 /nfs/dbraw/zinc/41/62/49/571416249.db2.gz ISIQNLHHCNEKIL-NHDPSOOVSA-N 0 0 535.385 7.112 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106727455 571416409 /nfs/dbraw/zinc/41/64/09/571416409.db2.gz ZJILVYAAEVLEJS-NHDPSOOVSA-N 0 0 501.486 6.258 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222950520 571416427 /nfs/dbraw/zinc/41/64/27/571416427.db2.gz VJKGLJWKSDUZRB-UHFFFAOYSA-N 0 0 557.716 6.145 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106739450 571417025 /nfs/dbraw/zinc/41/70/25/571417025.db2.gz WMPWRMNXUKMTTM-UUYOSTAYSA-N 0 0 573.412 6.152 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740620 571417215 /nfs/dbraw/zinc/41/72/15/571417215.db2.gz SUDZEKYJOAKWEL-KWRPRTBKSA-N 0 0 528.468 6.971 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106752082 571417609 /nfs/dbraw/zinc/41/76/09/571417609.db2.gz NGZXLAQSYBLKQS-NHDPSOOVSA-N 0 0 582.385 6.954 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106761018 571417931 /nfs/dbraw/zinc/41/79/31/571417931.db2.gz RJHQBGOVTYCFFO-XHPQRKPJSA-N 0 0 503.624 5.046 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106759415 571417976 /nfs/dbraw/zinc/41/79/76/571417976.db2.gz YRKQHRFZSLVWEI-HAHDFKILSA-N 0 0 511.441 6.280 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CCOc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000106764307 571418108 /nfs/dbraw/zinc/41/81/08/571418108.db2.gz LZGSIMHTGZEKNE-BRPDVVIDSA-N 0 0 540.641 7.010 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000106807627 571418380 /nfs/dbraw/zinc/41/83/80/571418380.db2.gz VSGHZPPRPNFUDS-VEILYXNESA-N 0 0 540.088 7.113 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000109249135 571428878 /nfs/dbraw/zinc/42/88/78/571428878.db2.gz UMSUEJYGTOWBLM-UHFFFAOYSA-N 0 0 555.055 6.676 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000109635240 571429625 /nfs/dbraw/zinc/42/96/25/571429625.db2.gz ZTPMTIVOSXWDHH-UHFFFAOYSA-N 0 0 579.634 6.321 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144749 571436067 /nfs/dbraw/zinc/43/60/67/571436067.db2.gz BSUDRKPMPQWONY-RPBOFIJWSA-N 0 0 530.525 5.101 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000113623849 571441233 /nfs/dbraw/zinc/44/12/33/571441233.db2.gz WLZVHVFDOLRQAF-UHFFFAOYSA-N 0 0 542.101 5.241 40 10 KKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000113624591 571441291 /nfs/dbraw/zinc/44/12/91/571441291.db2.gz JVWXHAGKSBUFRK-UHFFFAOYSA-N 0 0 539.701 6.002 40 10 KKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000113624302 571441304 /nfs/dbraw/zinc/44/13/04/571441304.db2.gz CIGSUZRDOLAYBB-UHFFFAOYSA-N 0 0 539.701 6.002 40 10 KKCBRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000113625325 571441354 /nfs/dbraw/zinc/44/13/54/571441354.db2.gz ZKPKNRGXRABJAU-UHFFFAOYSA-N 0 0 532.493 5.495 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830689 571442373 /nfs/dbraw/zinc/44/23/73/571442373.db2.gz CXEADFGJQATPCZ-WQRHYEAKSA-N 0 0 534.356 5.865 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000113830905 571442387 /nfs/dbraw/zinc/44/23/87/571442387.db2.gz UNINBWWNTFAZCR-YDZHTSKRSA-N 0 0 516.471 7.377 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc(F)c1 ZINC000113833814 571442598 /nfs/dbraw/zinc/44/25/98/571442598.db2.gz FLUMHFXYITYLDM-AFUMVMLFSA-N 0 0 550.474 7.726 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833496 571442629 /nfs/dbraw/zinc/44/26/29/571442629.db2.gz NKNKWHDZKMDRIE-WSDLNYQXSA-N 0 0 523.548 5.496 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833646 571442642 /nfs/dbraw/zinc/44/26/42/571442642.db2.gz LVTSCTVARSFEAX-YDZHTSKRSA-N 0 0 561.468 7.285 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188119 571442668 /nfs/dbraw/zinc/44/26/68/571442668.db2.gz JZDWDRBFLMXIRK-UIOOFZCWSA-N 0 0 544.552 5.491 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000113836719 571442733 /nfs/dbraw/zinc/44/27/33/571442733.db2.gz ZXWFDGDEPXWSLE-UHFFFAOYSA-N 0 0 569.082 7.066 40 10 KKCBRN COc1cc(Br)c(Br)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1O ZINC000113834374 571442749 /nfs/dbraw/zinc/44/27/49/571442749.db2.gz XSZIZQWZPVYHCV-AWNIVKPZSA-N 0 0 535.666 5.985 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834215 571442765 /nfs/dbraw/zinc/44/27/65/571442765.db2.gz MZYIFXPVIVGCFZ-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113834236 571442796 /nfs/dbraw/zinc/44/27/96/571442796.db2.gz WZSOQWGFGXLGMD-YDZHTSKRSA-N 0 0 516.560 5.912 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189644 571442814 /nfs/dbraw/zinc/44/28/14/571442814.db2.gz LTQQOLCFKSCKIS-YTMVLYRLSA-N 0 0 517.743 5.109 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113838257 571442921 /nfs/dbraw/zinc/44/29/21/571442921.db2.gz FRIFLSNWOVLPKH-AWQFTUOYSA-N 0 0 527.420 7.826 40 10 KKCBRN C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)c1ccccc1 ZINC000139030467 571452810 /nfs/dbraw/zinc/45/28/10/571452810.db2.gz GGHMXFFLBWSPNS-JOCHJYFZSA-N 0 0 510.590 6.162 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000144215466 571456318 /nfs/dbraw/zinc/45/63/18/571456318.db2.gz XTWUNPJBMREUCR-PKAZHMFMSA-N 0 0 515.034 7.567 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223296238 571456753 /nfs/dbraw/zinc/45/67/53/571456753.db2.gz GJYCMRTZEGGRDN-OYDLWJJNSA-N 0 0 500.590 5.659 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000150339708 571457670 /nfs/dbraw/zinc/45/76/70/571457670.db2.gz PHTDHUPZBUXFJO-YUYYFGHPSA-N 0 0 652.408 7.241 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223307874 571458622 /nfs/dbraw/zinc/45/86/22/571458622.db2.gz GNAAZCGNKCFEDD-GKVQRAMASA-N 0 0 500.590 5.659 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223307793 571458633 /nfs/dbraw/zinc/45/86/33/571458633.db2.gz GNAAZCGNKCFEDD-NTUVXCKYSA-N 0 0 500.590 5.659 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312095 571459179 /nfs/dbraw/zinc/45/91/79/571459179.db2.gz SEZHOYUJKJCKBY-WIRXVTQYSA-N 0 0 503.716 5.487 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000223346444 571463774 /nfs/dbraw/zinc/46/37/74/571463774.db2.gz JHWVDUIQBAGBPF-DNQXCXABSA-N 0 0 507.457 6.017 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000223346786 571463785 /nfs/dbraw/zinc/46/37/85/571463785.db2.gz XVZHWLATLWLQAP-BJKOFHAPSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000150364194 571464406 /nfs/dbraw/zinc/46/44/06/571464406.db2.gz VXSLLQIAJLOGHB-UHFFFAOYSA-N 0 0 633.498 7.773 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000150373739 571466209 /nfs/dbraw/zinc/46/62/09/571466209.db2.gz PAZJWBMSAYNQJA-KEBDBYFISA-N 0 0 647.307 8.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223371574 571466977 /nfs/dbraw/zinc/46/69/77/571466977.db2.gz WQDFXCKKHFFNMA-IHLOFXLRSA-N 0 0 523.706 5.498 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Br ZINC000223385032 571469317 /nfs/dbraw/zinc/46/93/17/571469317.db2.gz XQWCODUXDOXHPJ-CLJLJLNGSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000223385584 571469345 /nfs/dbraw/zinc/46/93/45/571469345.db2.gz GGUSROQZGDSKSB-FTJBHMTQSA-N 0 0 517.496 6.424 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000223390672 571470136 /nfs/dbraw/zinc/47/01/36/571470136.db2.gz AGGZESYOHZVUTL-SXOMAYOGSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000223390616 571470131 /nfs/dbraw/zinc/47/01/31/571470131.db2.gz AGGZESYOHZVUTL-KAYWLYCHSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391796 571470335 /nfs/dbraw/zinc/47/03/35/571470335.db2.gz ZSZHLKOQXNLAMT-RRPNLBNLSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223418290 571473570 /nfs/dbraw/zinc/47/35/70/571473570.db2.gz QDSBAGISEBGTHM-CONSDPRKSA-N 0 0 518.686 6.824 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC1=S ZINC000150391311 571473634 /nfs/dbraw/zinc/47/36/34/571473634.db2.gz XNQJEBKMGSUQTO-OVCLIPMQSA-N 0 0 672.145 6.068 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223421799 571474137 /nfs/dbraw/zinc/47/41/37/571474137.db2.gz FWFZKUNACUTYDC-SXOMAYOGSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223422054 571474214 /nfs/dbraw/zinc/47/42/14/571474214.db2.gz JQCNMGBEMFXUCH-SXOMAYOGSA-N 0 0 547.522 6.433 40 10 KKCBRN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150392033 571474280 /nfs/dbraw/zinc/47/42/80/571474280.db2.gz JWSIFTHSDTUOIH-ZDLGFXPLSA-N 0 0 647.252 7.157 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223428464 571475140 /nfs/dbraw/zinc/47/51/40/571475140.db2.gz NJCNRFLGMVAYRO-JDXGNMNLSA-N 0 0 510.707 6.541 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000150399521 571477738 /nfs/dbraw/zinc/47/77/38/571477738.db2.gz ARJSRKCNADMEJA-LZYBPNLTSA-N 0 0 626.270 7.542 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150399744 571477803 /nfs/dbraw/zinc/47/78/03/571477803.db2.gz JFQCGLWECDCGQO-JJFYIABZSA-N 0 0 672.837 7.933 40 10 KKCBRN CCCCCOC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OCCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150400790 571478002 /nfs/dbraw/zinc/47/80/02/571478002.db2.gz BBEHAJMRYZLZKT-BYYHNAKLSA-N 0 0 670.900 6.880 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223449533 571478334 /nfs/dbraw/zinc/47/83/34/571478334.db2.gz ZATUVNUDEYHGAY-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000150404525 571479137 /nfs/dbraw/zinc/47/91/37/571479137.db2.gz VGJFHWTUUSOLSL-VIZOYTHASA-N 0 0 612.243 7.152 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Br ZINC000223461221 571480096 /nfs/dbraw/zinc/48/00/96/571480096.db2.gz UWUSSHCWHCKSHE-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463973 571480732 /nfs/dbraw/zinc/48/07/32/571480732.db2.gz KDCPTZBQZVZDSH-URLMMPGGSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224127862 571481765 /nfs/dbraw/zinc/48/17/65/571481765.db2.gz UYUKTLOOAJYRAD-YRWXMRNASA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224127631 571481833 /nfs/dbraw/zinc/48/18/33/571481833.db2.gz IDELWIIDLWQHFM-DRGKEXPISA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224128213 571482056 /nfs/dbraw/zinc/48/20/56/571482056.db2.gz WZFASQQZJUXJHI-WTEHXLFCSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224129317 571482160 /nfs/dbraw/zinc/48/21/60/571482160.db2.gz ROQSMTCVYWHLSL-OTWWGAIPSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224129064 571482163 /nfs/dbraw/zinc/48/21/63/571482163.db2.gz FBJFEZBNKXIRET-BAVULBIOSA-N 0 0 588.196 7.941 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224128677 571482177 /nfs/dbraw/zinc/48/21/77/571482177.db2.gz JHGWCQNTYKRIGY-BDQLSBHJSA-N 0 0 598.260 8.364 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224128726 571482233 /nfs/dbraw/zinc/48/22/33/571482233.db2.gz JHGWCQNTYKRIGY-REDDFQDCSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224129269 571482245 /nfs/dbraw/zinc/48/22/45/571482245.db2.gz ROQSMTCVYWHLSL-BAVULBIOSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224130099 571482522 /nfs/dbraw/zinc/48/25/22/571482522.db2.gz NVTHBBPSQMGXMW-OTWWGAIPSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224131730 571482816 /nfs/dbraw/zinc/48/28/16/571482816.db2.gz WXSNEIOQYBPBAR-DRGKEXPISA-N 0 0 600.232 7.811 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132724 571482934 /nfs/dbraw/zinc/48/29/34/571482934.db2.gz YBXRWHFILGLTIN-TXAVTFGTSA-N 0 0 641.329 8.648 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224132871 571483073 /nfs/dbraw/zinc/48/30/73/571483073.db2.gz UPIMPNZCVYCGPQ-NSJAGVOXSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224133143 571483130 /nfs/dbraw/zinc/48/31/30/571483130.db2.gz JBXLZHOAKOBGNJ-HOZWTIGUSA-N 0 0 639.096 9.109 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224134941 571483399 /nfs/dbraw/zinc/48/33/99/571483399.db2.gz RMXHEKQADHXEJN-BXYJHVRESA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224134498 571483491 /nfs/dbraw/zinc/48/34/91/571483491.db2.gz GBCFJMKVWHZQQA-ZZBMHTCRSA-N 0 0 618.678 8.764 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135610 571483589 /nfs/dbraw/zinc/48/35/89/571483589.db2.gz QNOQBPXVJLHJOI-DRHZDZKSSA-N 0 0 645.229 7.719 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135707 571483712 /nfs/dbraw/zinc/48/37/12/571483712.db2.gz QNOQBPXVJLHJOI-BXYJHVRESA-N 0 0 645.229 7.719 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135651 571483800 /nfs/dbraw/zinc/48/38/00/571483800.db2.gz QNOQBPXVJLHJOI-ZZBMHTCRSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224136358 571483927 /nfs/dbraw/zinc/48/39/27/571483927.db2.gz QJQCGTXIIPNJCW-OBIKLVFUSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000224148011 571486282 /nfs/dbraw/zinc/48/62/82/571486282.db2.gz YCDCWVFOFKBFNT-OSTYAMFQSA-N 0 0 556.179 7.494 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000224147907 571486320 /nfs/dbraw/zinc/48/63/20/571486320.db2.gz YCDCWVFOFKBFNT-FBLJKGTASA-N 0 0 556.179 7.494 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224149257 571486408 /nfs/dbraw/zinc/48/64/08/571486408.db2.gz YDGOORLZDKRUAH-RZKSXRECSA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000223494877 571486548 /nfs/dbraw/zinc/48/65/48/571486548.db2.gz ZZFRZWSYRXXDSV-QRVIBDJDSA-N 0 0 510.059 6.425 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223495080 571486767 /nfs/dbraw/zinc/48/67/67/571486767.db2.gz BFSVERFXJJVFIT-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000150419197 571486813 /nfs/dbraw/zinc/48/68/13/571486813.db2.gz UDPZIHTXXGEPGK-LFVJCYFKSA-N 0 0 632.454 6.744 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Br ZINC000223497257 571487048 /nfs/dbraw/zinc/48/70/48/571487048.db2.gz NCJZMTMSOHPCMG-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224154433 571487518 /nfs/dbraw/zinc/48/75/18/571487518.db2.gz USPITRRWVCORQD-FQLXRVMXSA-N 0 0 509.679 5.503 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224154604 571487525 /nfs/dbraw/zinc/48/75/25/571487525.db2.gz USPITRRWVCORQD-VMPREFPWSA-N 0 0 509.679 5.503 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224154493 571487537 /nfs/dbraw/zinc/48/75/37/571487537.db2.gz USPITRRWVCORQD-WDYNHAJCSA-N 0 0 509.679 5.503 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000224166997 571489797 /nfs/dbraw/zinc/48/97/97/571489797.db2.gz LIZLHFFXZONJTP-DQEYMECFSA-N 0 0 503.469 6.429 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150424834 571489506 /nfs/dbraw/zinc/48/95/06/571489506.db2.gz ABXWNZAJWUBPSE-NDZAJKAJSA-N 0 0 740.448 9.234 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150424856 571489576 /nfs/dbraw/zinc/48/95/76/571489576.db2.gz YFXUOHYSDGQBII-NDZAJKAJSA-N 0 0 706.549 8.380 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000224166768 571489651 /nfs/dbraw/zinc/48/96/51/571489651.db2.gz HKHUJJOQOPVLDS-DQEYMECFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000224166843 571489638 /nfs/dbraw/zinc/48/96/38/571489638.db2.gz LIZLHFFXZONJTP-JWQCQUIFSA-N 0 0 503.469 6.429 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC ZINC000150425838 571489986 /nfs/dbraw/zinc/48/99/86/571489986.db2.gz SEOXHKDYZNQAFW-KURJDURESA-N 0 0 799.031 5.445 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC ZINC000150425839 571490043 /nfs/dbraw/zinc/49/00/43/571490043.db2.gz OEIYATRGZSEONC-GWXBKVTISA-N 0 0 842.100 5.035 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223519075 571492340 /nfs/dbraw/zinc/49/23/40/571492340.db2.gz CXMZRUJPOLESPB-CFRMEGHHSA-N 0 0 525.512 7.404 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1 ZINC000223519675 571492495 /nfs/dbraw/zinc/49/24/95/571492495.db2.gz FAJCZOLQBSKUFM-QFEZKATASA-N 0 0 503.668 6.389 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224204011 571495970 /nfs/dbraw/zinc/49/59/70/571495970.db2.gz WBXAGYIIGZOPGQ-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NCCN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 ZINC000150436613 571496211 /nfs/dbraw/zinc/49/62/11/571496211.db2.gz CWKXUNPXCRWJON-XWFWGDPBSA-N 0 0 790.886 6.307 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205733 571496449 /nfs/dbraw/zinc/49/64/49/571496449.db2.gz RYUUIYSCJFDVRO-KYJUHHDHSA-N 0 0 509.723 6.821 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205678 571496467 /nfs/dbraw/zinc/49/64/67/571496467.db2.gz RYUUIYSCJFDVRO-XZWHSSHBSA-N 0 0 509.723 6.821 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000150439567 571497451 /nfs/dbraw/zinc/49/74/51/571497451.db2.gz YMLNOJNFJBDXBQ-UHFFFAOYSA-N 0 0 664.496 6.766 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000150445482 571500367 /nfs/dbraw/zinc/50/03/67/571500367.db2.gz KIENTZHQNANMPC-OZPNSZCYSA-N 0 0 666.669 7.028 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224235964 571503473 /nfs/dbraw/zinc/50/34/73/571503473.db2.gz PBVWNLWXRABMAW-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000224235766 571503474 /nfs/dbraw/zinc/50/34/74/571503474.db2.gz VJIWNGBJQXGGQX-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000150454835 571504185 /nfs/dbraw/zinc/50/41/85/571504185.db2.gz WYFHUBCFEZAVLO-RJBYSJFGSA-N 0 0 648.720 7.348 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000150456064 571504639 /nfs/dbraw/zinc/50/46/39/571504639.db2.gz OZYPQDUGMOPCES-QFEZKATASA-N 0 0 631.390 6.692 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223585882 571508033 /nfs/dbraw/zinc/50/80/33/571508033.db2.gz ACUIQAGOTSUARD-ICODJCHTSA-N 0 0 512.075 6.436 40 10 KKCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000150469574 571508752 /nfs/dbraw/zinc/50/87/52/571508752.db2.gz YMXLMQQWZANQGQ-OCEACIFDSA-N 0 0 640.878 5.990 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)SC1=S)Nc1ccc2ccccc2c1 ZINC000150470055 571509139 /nfs/dbraw/zinc/50/91/39/571509139.db2.gz MSCOBGFPEVCFTE-JEIPZWNWSA-N 0 0 740.998 8.623 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000150470050 571509190 /nfs/dbraw/zinc/50/91/90/571509190.db2.gz UGPJHPDSVUZFES-OCEACIFDSA-N 0 0 730.872 6.133 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)SC1=S)Nc1cccc(Br)c1 ZINC000150470634 571509279 /nfs/dbraw/zinc/50/92/79/571509279.db2.gz KZJRQLJPJHRIIC-QURGRASLSA-N 0 0 742.562 6.281 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224268401 571510259 /nfs/dbraw/zinc/51/02/59/571510259.db2.gz QXDDNUORJRUCEO-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224268441 571510324 /nfs/dbraw/zinc/51/03/24/571510324.db2.gz QXDDNUORJRUCEO-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000150481127 571512432 /nfs/dbraw/zinc/51/24/32/571512432.db2.gz INRHBWJFVMKTRW-NDZAJKAJSA-N 0 0 661.552 8.390 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224290562 571514422 /nfs/dbraw/zinc/51/44/22/571514422.db2.gz VDMSKDAVJFZIEB-IOWSJCHKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1Br ZINC000224301942 571517272 /nfs/dbraw/zinc/51/72/72/571517272.db2.gz SFBFWHNEQRDXJE-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000150492764 571517371 /nfs/dbraw/zinc/51/73/71/571517371.db2.gz YNHPKUFHCYNRHE-KAEGSSFASA-N 0 0 695.623 5.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224306297 571518343 /nfs/dbraw/zinc/51/83/43/571518343.db2.gz QFCZHHCUQYNINI-IZLXSDGUSA-N 0 0 501.099 7.245 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223650974 571520882 /nfs/dbraw/zinc/52/08/82/571520882.db2.gz XNBOUOHNDAMXNB-DHIUTWEWSA-N 0 0 502.562 5.044 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224321310 571521439 /nfs/dbraw/zinc/52/14/39/571521439.db2.gz CWYFRIXNHXFQIO-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000224336719 571524927 /nfs/dbraw/zinc/52/49/27/571524927.db2.gz FYVNGLVGTLLWBC-RRPNLBNLSA-N 0 0 531.523 6.991 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223677988 571525278 /nfs/dbraw/zinc/52/52/78/571525278.db2.gz YVNLCFCMNVHZQT-GOTSBHOMSA-N 0 0 502.562 5.044 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000224338612 571525435 /nfs/dbraw/zinc/52/54/35/571525435.db2.gz DZBLILKTAKLYIB-KAYWLYCHSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000224340251 571525809 /nfs/dbraw/zinc/52/58/09/571525809.db2.gz FFQWTZKGWJOVNL-IZLXSDGUSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000224340285 571525853 /nfs/dbraw/zinc/52/58/53/571525853.db2.gz FFQWTZKGWJOVNL-WUFINQPMSA-N 0 0 527.650 6.145 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223691863 571527887 /nfs/dbraw/zinc/52/78/87/571527887.db2.gz IWGIBQGLTJPPKJ-DHIUTWEWSA-N 0 0 503.455 5.332 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223691805 571527914 /nfs/dbraw/zinc/52/79/14/571527914.db2.gz IWGIBQGLTJPPKJ-XZOQPEGZSA-N 0 0 503.455 5.332 40 10 KKCBRN CCOC(=O)c1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)N(c4ccc(Cl)c(Cl)c4)N=C3C)cc2OC)cc1 ZINC000150664136 571528458 /nfs/dbraw/zinc/52/84/58/571528458.db2.gz IOFNLSURCOBTDB-NHDPSOOVSA-N 0 0 661.336 6.765 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000224353596 571528625 /nfs/dbraw/zinc/52/86/25/571528625.db2.gz WYELEGQKSOJXLQ-NSOVKSMOSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224357771 571529280 /nfs/dbraw/zinc/52/92/80/571529280.db2.gz DAUQJXYLVZUWCQ-IZLXSDGUSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224365181 571530855 /nfs/dbraw/zinc/53/08/55/571530855.db2.gz SVVWGKUEHDPDDC-AJQTZOPKSA-N 0 0 516.714 7.943 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223712206 571531233 /nfs/dbraw/zinc/53/12/33/571531233.db2.gz ZHOSRILYXRPUOH-RPWUZVMVSA-N 0 0 516.589 5.434 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370358 571531773 /nfs/dbraw/zinc/53/17/73/571531773.db2.gz ILNSABGQPKBIKI-ROJLCIKYSA-N 0 0 537.777 7.636 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224370625 571531872 /nfs/dbraw/zinc/53/18/72/571531872.db2.gz UNCCRTPTAYQOFD-WUFINQPMSA-N 0 0 535.544 8.096 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224372538 571532421 /nfs/dbraw/zinc/53/24/21/571532421.db2.gz CNKOCFUUYJQPEF-VMPREFPWSA-N 0 0 541.677 6.706 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000163200458 571532936 /nfs/dbraw/zinc/53/29/36/571532936.db2.gz IDYCCBQGVCLJIQ-SAGCDJCOSA-N 0 0 669.588 6.339 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725671 571533242 /nfs/dbraw/zinc/53/32/42/571533242.db2.gz OZSBGBCCTXHUTA-IZLXSDGUSA-N 0 0 519.715 5.261 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000163460084 571535659 /nfs/dbraw/zinc/53/56/59/571535659.db2.gz LXFKFDLUXCAORN-PDKWVMPVSA-N 0 0 643.853 7.776 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223747878 571537315 /nfs/dbraw/zinc/53/73/15/571537315.db2.gz BTGSTVHTRLMMMP-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223760813 571539733 /nfs/dbraw/zinc/53/97/33/571539733.db2.gz MNRZIJBWHNGOCF-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223763508 571540075 /nfs/dbraw/zinc/54/00/75/571540075.db2.gz YAGJTRSGKUYXSU-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163684588 571540310 /nfs/dbraw/zinc/54/03/10/571540310.db2.gz ZLLFZUFJSDKWKY-LMSRTUJASA-N 0 0 657.961 5.464 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163719602 571541709 /nfs/dbraw/zinc/54/17/09/571541709.db2.gz MMYGJFZSPZUERV-PKYOQBLNSA-N 0 0 667.025 5.859 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1 ZINC000224417173 571541776 /nfs/dbraw/zinc/54/17/76/571541776.db2.gz KPGQQASWHXPLRC-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163726498 571541813 /nfs/dbraw/zinc/54/18/13/571541813.db2.gz SFBFIYPZVVQXCN-VQMDLGMUSA-N 0 0 709.828 6.897 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224417574 571541919 /nfs/dbraw/zinc/54/19/19/571541919.db2.gz UXIIRMAYDXBMIV-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163739754 571542369 /nfs/dbraw/zinc/54/23/69/571542369.db2.gz KRJQUUSQMIDOMZ-VVNKCDPRSA-N 0 0 725.958 6.315 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224421675 571542753 /nfs/dbraw/zinc/54/27/53/571542753.db2.gz BXGLUNYHBSLVET-VMPREFPWSA-N 0 0 527.669 5.642 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223781232 571543027 /nfs/dbraw/zinc/54/30/27/571543027.db2.gz YBSLRWVVCFBSAV-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000163915469 571543427 /nfs/dbraw/zinc/54/34/27/571543427.db2.gz ITSPKCGLZFJTAQ-SUAMDDGLSA-N 0 0 671.988 5.772 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223786194 571543892 /nfs/dbraw/zinc/54/38/92/571543892.db2.gz MHVACCLIZZVYRF-SXOMAYOGSA-N 0 0 536.623 7.084 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223786377 571543950 /nfs/dbraw/zinc/54/39/50/571543950.db2.gz GFWMEWWVNVNITA-CONSDPRKSA-N 0 0 553.732 5.902 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223787797 571544197 /nfs/dbraw/zinc/54/41/97/571544197.db2.gz DHFYIGUXNSEDNJ-SXOMAYOGSA-N 0 0 519.114 6.943 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Br ZINC000224433435 571544909 /nfs/dbraw/zinc/54/49/09/571544909.db2.gz MMGNCDZWWPXFHG-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000224433764 571544935 /nfs/dbraw/zinc/54/49/35/571544935.db2.gz HPLPOJDFFMIIKF-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000224437547 571545782 /nfs/dbraw/zinc/54/57/82/571545782.db2.gz YWCUVNMHMMYVTJ-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223797641 571545904 /nfs/dbraw/zinc/54/59/04/571545904.db2.gz OXGPMKPXUNLTIH-RRPNLBNLSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223798080 571545909 /nfs/dbraw/zinc/54/59/09/571545909.db2.gz FPFBNBXFAZPXMS-SXOMAYOGSA-N 0 0 547.522 6.827 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438447 571545938 /nfs/dbraw/zinc/54/59/38/571545938.db2.gz BCLSWHFZGUQBSR-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223801778 571546615 /nfs/dbraw/zinc/54/66/15/571546615.db2.gz VZCIHNVEZDQWSX-SVBPBHIXSA-N 0 0 537.516 7.372 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000223801645 571546672 /nfs/dbraw/zinc/54/66/72/571546672.db2.gz NCMSNUOKZSMPJA-IOWSJCHKSA-N 0 0 539.749 6.911 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1 ZINC000224450614 571548988 /nfs/dbraw/zinc/54/89/88/571548988.db2.gz CKZMBMAYYPWVFE-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000164517860 571549121 /nfs/dbraw/zinc/54/91/21/571549121.db2.gz NTLKYDDKILXQSN-ZRYJBNJPSA-N 0 0 685.587 5.948 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164544758 571549836 /nfs/dbraw/zinc/54/98/36/571549836.db2.gz IRXYPTJGSYTYLR-LLXISZFLSA-N 0 0 668.613 6.114 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000164598232 571550262 /nfs/dbraw/zinc/55/02/62/571550262.db2.gz GDEGTYUFUONJLL-IWIPYMOSSA-N 0 0 623.981 8.212 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164805047 571551145 /nfs/dbraw/zinc/55/11/45/571551145.db2.gz RSOKVSIZKXFJCF-UHFFFAOYSA-N 0 0 696.450 8.709 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164813954 571551270 /nfs/dbraw/zinc/55/12/70/571551270.db2.gz CUXLKZZKYNRJBK-UHFFFAOYSA-N 0 0 645.937 7.890 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164816085 571551280 /nfs/dbraw/zinc/55/12/80/571551280.db2.gz BFLYCHCQAMRMFZ-UHFFFAOYSA-N 0 0 659.964 8.280 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164809715 571551318 /nfs/dbraw/zinc/55/13/18/571551318.db2.gz RGJKWPWIURKSLB-UHFFFAOYSA-N 0 0 642.462 6.918 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164810515 571551358 /nfs/dbraw/zinc/55/13/58/571551358.db2.gz GXXGHBGUKMKJAU-UHFFFAOYSA-N 0 0 675.435 6.370 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224462272 571551558 /nfs/dbraw/zinc/55/15/58/571551558.db2.gz NZXYQYKCSMENAO-VMPREFPWSA-N 0 0 509.078 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224465339 571552324 /nfs/dbraw/zinc/55/23/24/571552324.db2.gz IJSAHNSJOXVWKT-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224467253 571552778 /nfs/dbraw/zinc/55/27/78/571552778.db2.gz IUHULLMCTHIMPJ-JWQCQUIFSA-N 0 0 527.908 7.626 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224469133 571553172 /nfs/dbraw/zinc/55/31/72/571553172.db2.gz PYSAOCSQKZKBDL-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224469409 571553298 /nfs/dbraw/zinc/55/32/98/571553298.db2.gz JFXHDUBHDBPFCL-FTJBHMTQSA-N 0 0 534.041 6.236 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223821885 571556105 /nfs/dbraw/zinc/55/61/05/571556105.db2.gz XGVVRDQDUUWONJ-WUFINQPMSA-N 0 0 512.635 5.794 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223822578 571556289 /nfs/dbraw/zinc/55/62/89/571556289.db2.gz RYTDXTSQPJAILV-IZLXSDGUSA-N 0 0 543.649 5.982 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224481689 571556382 /nfs/dbraw/zinc/55/63/82/571556382.db2.gz XLYSVHDZCOEWEI-UIOOFZCWSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000223824134 571556810 /nfs/dbraw/zinc/55/68/10/571556810.db2.gz HZDQYDLUJHDXNW-DGPALRBDSA-N 0 0 510.707 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224485303 571557373 /nfs/dbraw/zinc/55/73/73/571557373.db2.gz YUJYEXICDCVNQH-FQLXRVMXSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1 ZINC000224494180 571559742 /nfs/dbraw/zinc/55/97/42/571559742.db2.gz ZWVILSQYCXXQRV-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1 ZINC000224494138 571559787 /nfs/dbraw/zinc/55/97/87/571559787.db2.gz ZWVILSQYCXXQRV-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224495532 571559940 /nfs/dbraw/zinc/55/99/40/571559940.db2.gz ZEWYHOKPSNLAKN-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl ZINC000224495823 571560099 /nfs/dbraw/zinc/56/00/99/571560099.db2.gz QFNGNMMWFXTXPX-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224496162 571560194 /nfs/dbraw/zinc/56/01/94/571560194.db2.gz NEFKAGGROHLRPZ-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224496522 571560295 /nfs/dbraw/zinc/56/02/95/571560295.db2.gz VURPEBRVPOOILR-RPBOFIJWSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224496573 571560304 /nfs/dbraw/zinc/56/03/04/571560304.db2.gz VURPEBRVPOOILR-LOSJGSFVSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1O ZINC000224496890 571560379 /nfs/dbraw/zinc/56/03/79/571560379.db2.gz PXYMLGVVRPUHID-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224497321 571560448 /nfs/dbraw/zinc/56/04/48/571560448.db2.gz MEJRCWYUYYTDEP-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224501548 571561662 /nfs/dbraw/zinc/56/16/62/571561662.db2.gz YXKWSZVWIALWLN-IZZNHLLZSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223856162 571562547 /nfs/dbraw/zinc/56/25/47/571562547.db2.gz UCGOKLZOBSROCB-RPBOFIJWSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Br ZINC000223858367 571562867 /nfs/dbraw/zinc/56/28/67/571562867.db2.gz OBNGWNAEPXIGEM-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223858788 571563001 /nfs/dbraw/zinc/56/30/01/571563001.db2.gz RHSNGVKXQCSRLF-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223861576 571563519 /nfs/dbraw/zinc/56/35/19/571563519.db2.gz BCQSWROWXNUGHF-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861173 571563578 /nfs/dbraw/zinc/56/35/78/571563578.db2.gz NOXBIXKNWGTMAC-VMPREFPWSA-N 0 0 511.695 6.218 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223863556 571563966 /nfs/dbraw/zinc/56/39/66/571563966.db2.gz AOOJBGPWKKATCE-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224515038 571564265 /nfs/dbraw/zinc/56/42/65/571564265.db2.gz SBXSTXSTOYKZAV-JWQCQUIFSA-N 0 0 519.468 6.129 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224515822 571564390 /nfs/dbraw/zinc/56/43/90/571564390.db2.gz CIHFARVMCPOTMC-UIOOFZCWSA-N 0 0 561.505 6.215 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224520876 571565467 /nfs/dbraw/zinc/56/54/67/571565467.db2.gz ITRRYIAPYFTOFX-LOYHVIPDSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224525496 571566655 /nfs/dbraw/zinc/56/66/55/571566655.db2.gz CSXPJTUGHJXSGG-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224528959 571567144 /nfs/dbraw/zinc/56/71/44/571567144.db2.gz NQUWUOSNRMIOKZ-LOYHVIPDSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224530416 571567545 /nfs/dbraw/zinc/56/75/45/571567545.db2.gz SNWUPINSVFMTQO-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223885084 571567982 /nfs/dbraw/zinc/56/79/82/571567982.db2.gz OFHROQBJPJCVPW-CONSDPRKSA-N 0 0 552.748 5.569 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223896240 571570037 /nfs/dbraw/zinc/57/00/37/571570037.db2.gz SLGXRWFOXZNLSS-RRPNLBNLSA-N 0 0 502.087 6.386 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000205747366 571570573 /nfs/dbraw/zinc/57/05/73/571570573.db2.gz QZMXCFHGNKTZGG-WGOQTCKBSA-N 0 0 598.506 6.953 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223902073 571571371 /nfs/dbraw/zinc/57/13/71/571571371.db2.gz NBMWFGQQBHKEEX-NSOVKSMOSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902604 571571407 /nfs/dbraw/zinc/57/14/07/571571407.db2.gz IPBZOEQWMKJTKR-VSGBNLITSA-N 0 0 542.665 5.649 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902709 571571632 /nfs/dbraw/zinc/57/16/32/571571632.db2.gz IPBZOEQWMKJTKR-WUFINQPMSA-N 0 0 542.665 5.649 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000205859179 571571868 /nfs/dbraw/zinc/57/18/68/571571868.db2.gz IRAOKOMTKVLTIU-PCLIKHOPSA-N 0 0 562.673 5.812 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000206907133 571573060 /nfs/dbraw/zinc/57/30/60/571573060.db2.gz AKCPBSRLPRRNHQ-XKZIYDEJSA-N 0 0 589.920 6.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000206886574 571573066 /nfs/dbraw/zinc/57/30/66/571573066.db2.gz BJDZQFDJUHERSN-JLPGSUDCSA-N 0 0 504.633 5.519 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000208256450 571573611 /nfs/dbraw/zinc/57/36/11/571573611.db2.gz JYXQGBDQEVDNGV-MFLNWZAWSA-N 0 0 514.047 5.746 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000208391715 571574339 /nfs/dbraw/zinc/57/43/39/571574339.db2.gz PDKPTTCPODRORR-PLNPHXOGSA-N 0 0 623.775 6.204 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208647124 571574648 /nfs/dbraw/zinc/57/46/48/571574648.db2.gz DWXIEFOPTDSBNI-JMIUGGIZSA-N 0 0 624.307 7.244 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2C(C)=CC1(C)C ZINC000208531765 571574676 /nfs/dbraw/zinc/57/46/76/571574676.db2.gz PVHIKYGYEWKTLT-QFEZKATASA-N 0 0 503.668 6.309 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208659316 571574832 /nfs/dbraw/zinc/57/48/32/571574832.db2.gz SCZMGRXABUNZGP-NHDPSOOVSA-N 0 0 622.437 6.332 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208664690 571574848 /nfs/dbraw/zinc/57/48/48/571574848.db2.gz GJMIPQMFMKVKLU-JAIQZWGSSA-N 0 0 513.940 6.355 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223917453 571574989 /nfs/dbraw/zinc/57/49/89/571574989.db2.gz BUWWUVHXGKFKEF-IZLXSDGUSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208710964 571575096 /nfs/dbraw/zinc/57/50/96/571575096.db2.gz LZVWDGLAHGNTKL-FBHDLOMBSA-N 0 0 615.785 8.403 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208719062 571575103 /nfs/dbraw/zinc/57/51/03/571575103.db2.gz ZATRKVNTJNECNG-QQXSKIMKSA-N 0 0 576.537 7.904 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000208724521 571575111 /nfs/dbraw/zinc/57/51/11/571575111.db2.gz QIOVGIJPGYMACO-QQXSKIMKSA-N 0 0 592.536 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223921425 571575773 /nfs/dbraw/zinc/57/57/73/571575773.db2.gz VHHYFEKTHUBQIA-URLMMPGGSA-N 0 0 577.676 6.522 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000224565732 571575884 /nfs/dbraw/zinc/57/58/84/571575884.db2.gz IQXAUXOSFUKKNI-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000224568071 571576398 /nfs/dbraw/zinc/57/63/98/571576398.db2.gz DOYFDYLQYSZRSD-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000224572030 571577373 /nfs/dbraw/zinc/57/73/73/571577373.db2.gz CQFGOEVGAOOTSA-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214241942 571578245 /nfs/dbraw/zinc/57/82/45/571578245.db2.gz ZIBQAKBSOSFESM-VULFUBBASA-N 0 0 578.622 5.834 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223935515 571578601 /nfs/dbraw/zinc/57/86/01/571578601.db2.gz CQZZBROAPRRBQH-IHLOFXLRSA-N 0 0 539.705 5.511 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000214433057 571579250 /nfs/dbraw/zinc/57/92/50/571579250.db2.gz NGFKBJNHBLERLU-VULFUBBASA-N 0 0 541.500 7.655 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214457937 571579370 /nfs/dbraw/zinc/57/93/70/571579370.db2.gz LYCMMUGHGQIEJS-CVKSISIWSA-N 0 0 603.657 5.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223939154 571579441 /nfs/dbraw/zinc/57/94/41/571579441.db2.gz FQKLQSMMQXSRHL-LOYHVIPDSA-N 0 0 558.151 6.465 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223938783 571579485 /nfs/dbraw/zinc/57/94/85/571579485.db2.gz QQSZNXSAMRYBSU-XZWHSSHBSA-N 0 0 553.688 5.232 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223939386 571579575 /nfs/dbraw/zinc/57/95/75/571579575.db2.gz IMGHVWVRVUBQPU-LOYHVIPDSA-N 0 0 584.702 5.420 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214611286 571579710 /nfs/dbraw/zinc/57/97/10/571579710.db2.gz GZLPQPYMFMKVJM-JFLMPSFJSA-N 0 0 574.659 6.003 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940873 571579966 /nfs/dbraw/zinc/57/99/66/571579966.db2.gz NQZIVTYOYMPMNU-XLJNKUFUSA-N 0 0 551.760 6.374 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ncccc1C ZINC000223941556 571580130 /nfs/dbraw/zinc/58/01/30/571580130.db2.gz XSJZIJPYOVYDBN-NSOVKSMOSA-N 0 0 524.694 5.206 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1 ZINC000224587179 571581073 /nfs/dbraw/zinc/58/10/73/571581073.db2.gz ZOYGATKSBWEIHG-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223955396 571583095 /nfs/dbraw/zinc/58/30/95/571583095.db2.gz ZZKGIQLOHORYNG-FQLXRVMXSA-N 0 0 525.678 5.203 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223955918 571583164 /nfs/dbraw/zinc/58/31/64/571583164.db2.gz NPCQUGJKVNYJHQ-IHLOFXLRSA-N 0 0 567.715 5.289 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000215155781 571583439 /nfs/dbraw/zinc/58/34/39/571583439.db2.gz SVRCBVCMNURPQO-RPPGKUMJSA-N 0 0 613.067 6.488 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223957841 571583649 /nfs/dbraw/zinc/58/36/49/571583649.db2.gz WVXUBLZAXKLMPA-UHFFFAOYSA-N 0 0 568.061 6.025 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000215210548 571583822 /nfs/dbraw/zinc/58/38/22/571583822.db2.gz HRWWMWYJROTYNX-YPXUMCKCSA-N 0 0 619.954 8.037 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000215222489 571583991 /nfs/dbraw/zinc/58/39/91/571583991.db2.gz QOEVARKTJPPVCB-LSFURLLWSA-N 0 0 501.391 6.366 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223961538 571584534 /nfs/dbraw/zinc/58/45/34/571584534.db2.gz LMFOUKGPHYEDOH-FIRIVFDPSA-N 0 0 566.731 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606447 571585224 /nfs/dbraw/zinc/58/52/24/571585224.db2.gz BOIKIONOXIKOQV-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223966867 571585308 /nfs/dbraw/zinc/58/53/08/571585308.db2.gz RFVRBDDSXOJZCO-RRPNLBNLSA-N 0 0 532.069 5.984 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223973039 571586575 /nfs/dbraw/zinc/58/65/75/571586575.db2.gz PBCNHSGKEJJUJB-FQLXRVMXSA-N 0 0 509.679 6.187 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5ccc(OC)c(Cl)c5)ccc4s3)CC2)cc1 ZINC000215873935 571586622 /nfs/dbraw/zinc/58/66/22/571586622.db2.gz YKEJEBKTNSJLRQ-UHFFFAOYSA-N 0 0 586.135 5.359 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223974490 571586867 /nfs/dbraw/zinc/58/68/67/571586867.db2.gz SGUOAPZOYIRELI-SVBPBHIXSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223975326 571587104 /nfs/dbraw/zinc/58/71/04/571587104.db2.gz PCGUNEUGSIVFMC-KAYWLYCHSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223975539 571587113 /nfs/dbraw/zinc/58/71/13/571587113.db2.gz VBZSUNKRDUYZFG-KAYWLYCHSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223978037 571587668 /nfs/dbraw/zinc/58/76/68/571587668.db2.gz XQFMGSZFIXPTEV-SVBPBHIXSA-N 0 0 550.515 6.931 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223980117 571587958 /nfs/dbraw/zinc/58/79/58/571587958.db2.gz IUKQQQJPTQWMPG-NSOVKSMOSA-N 0 0 556.648 5.541 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223980904 571588174 /nfs/dbraw/zinc/58/81/74/571588174.db2.gz WCWAIWPWNBULHC-VSGBNLITSA-N 0 0 546.096 6.287 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981420 571588309 /nfs/dbraw/zinc/58/83/09/571588309.db2.gz IAJPFOGOPNPCCI-DGPALRBDSA-N 0 0 523.706 6.495 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224626916 571589776 /nfs/dbraw/zinc/58/97/76/571589776.db2.gz BRDMIZXZZHGLNQ-JSOSNVBQSA-N 0 0 584.667 8.477 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224634609 571591490 /nfs/dbraw/zinc/59/14/90/571591490.db2.gz RGWHWHSZJIKORX-VSJLXWSYSA-N 0 0 566.730 8.612 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223996785 571591932 /nfs/dbraw/zinc/59/19/32/571591932.db2.gz ZNEBYIIHCGNJKA-NSOVKSMOSA-N 0 0 539.661 5.411 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223996850 571591941 /nfs/dbraw/zinc/59/19/41/571591941.db2.gz QDVURCJLKCWZRC-VSGBNLITSA-N 0 0 539.661 5.411 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223996619 571591988 /nfs/dbraw/zinc/59/19/88/571591988.db2.gz ZNEBYIIHCGNJKA-VSGBNLITSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224638134 571592400 /nfs/dbraw/zinc/59/24/00/571592400.db2.gz VKSBMBLLTMJVIY-IOWSJCHKSA-N 0 0 595.566 8.221 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224638747 571592514 /nfs/dbraw/zinc/59/25/14/571592514.db2.gz PEFQRCDXQFQEPW-ACHIHNKUSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224638849 571592745 /nfs/dbraw/zinc/59/27/45/571592745.db2.gz LEZHKMBOGMOVJT-ZWXJPIIXSA-N 0 0 546.696 7.467 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639950 571592828 /nfs/dbraw/zinc/59/28/28/571592828.db2.gz KZVWHZLZKIIMBY-OIDHKYIRSA-N 0 0 587.793 8.305 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224639693 571592830 /nfs/dbraw/zinc/59/28/30/571592830.db2.gz CGGILWMIXUONTQ-SAIUNTKASA-N 0 0 559.739 7.525 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224001601 571593027 /nfs/dbraw/zinc/59/30/27/571593027.db2.gz NBVRDBHLVUSRPS-CLJLJLNGSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224640934 571593163 /nfs/dbraw/zinc/59/31/63/571593163.db2.gz KQYCFTBZQYSOGA-VTIYRKAUSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224001984 571593195 /nfs/dbraw/zinc/59/31/95/571593195.db2.gz KXWPWTHFSGHHKH-KYJUHHDHSA-N 0 0 553.688 5.232 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224642446 571593421 /nfs/dbraw/zinc/59/34/21/571593421.db2.gz RZBYSVSLPLPTLZ-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643128 571593494 /nfs/dbraw/zinc/59/34/94/571593494.db2.gz IDSJNOCQGCSHQY-AJQTZOPKSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 ZINC000224014263 571595314 /nfs/dbraw/zinc/59/53/14/571595314.db2.gz BMISQVWTISHBHV-FTJBHMTQSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 ZINC000224014367 571595344 /nfs/dbraw/zinc/59/53/44/571595344.db2.gz BMISQVWTISHBHV-UIOOFZCWSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 ZINC000224014668 571595469 /nfs/dbraw/zinc/59/54/69/571595469.db2.gz UDLWCNSAGZGGGJ-CLJLJLNGSA-N 0 0 547.478 6.157 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017191 571595966 /nfs/dbraw/zinc/59/59/66/571595966.db2.gz BNTWXLGFTDYDDE-KYJUHHDHSA-N 0 0 539.705 6.241 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017134 571595984 /nfs/dbraw/zinc/59/59/84/571595984.db2.gz BNTWXLGFTDYDDE-XZWHSSHBSA-N 0 0 539.705 6.241 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1C ZINC000224019154 571596297 /nfs/dbraw/zinc/59/62/97/571596297.db2.gz NEICXTQVTFKNIP-SXOMAYOGSA-N 0 0 517.054 6.357 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 ZINC000224654841 571596375 /nfs/dbraw/zinc/59/63/75/571596375.db2.gz TZVPDDFAPJIZDM-IHLOFXLRSA-N 0 0 502.643 7.150 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1C ZINC000224019842 571596388 /nfs/dbraw/zinc/59/63/88/571596388.db2.gz PZRKCZXILLYDMR-SXOMAYOGSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224019477 571596444 /nfs/dbraw/zinc/59/64/44/571596444.db2.gz KFVMFHBJVKTUGJ-SVBPBHIXSA-N 0 0 543.605 5.312 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224660178 571597574 /nfs/dbraw/zinc/59/75/74/571597574.db2.gz CMUJTKBVEWZIAI-MPQUPPDSSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224664733 571598638 /nfs/dbraw/zinc/59/86/38/571598638.db2.gz IEVYUWPWGOQLSN-ZWXJPIIXSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224669404 571599385 /nfs/dbraw/zinc/59/93/85/571599385.db2.gz NZYRTJMRYCLVHG-ROJLCIKYSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224670386 571599490 /nfs/dbraw/zinc/59/94/90/571599490.db2.gz GJVSRJJXMPXPJT-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224669794 571599528 /nfs/dbraw/zinc/59/95/28/571599528.db2.gz OEOGSKCMUPRAHG-KKLWWLSJSA-N 0 0 558.751 8.329 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224036023 571599550 /nfs/dbraw/zinc/59/95/50/571599550.db2.gz YLWNLXORISTCEN-RRPNLBNLSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224670832 571599682 /nfs/dbraw/zinc/59/96/82/571599682.db2.gz NQSNBVRFJNGMLD-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224671731 571599852 /nfs/dbraw/zinc/59/98/52/571599852.db2.gz LKEJZTVETHKERM-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224672413 571600010 /nfs/dbraw/zinc/60/00/10/571600010.db2.gz JUYXQMOFKWXTRF-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1O ZINC000224671899 571600050 /nfs/dbraw/zinc/60/00/50/571600050.db2.gz SIEKXVNEXOGSGM-AJQTZOPKSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224672213 571600054 /nfs/dbraw/zinc/60/00/54/571600054.db2.gz UHVPSUQSHRHIGA-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224040788 571600445 /nfs/dbraw/zinc/60/04/45/571600445.db2.gz BXERQYOOHPKEFC-ACHIHNKUSA-N 0 0 618.203 6.181 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224040716 571600456 /nfs/dbraw/zinc/60/04/56/571600456.db2.gz WBTSNKWAAOCBOA-VSGBNLITSA-N 0 0 601.094 7.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224673865 571600501 /nfs/dbraw/zinc/60/05/01/571600501.db2.gz AYXZGGSPWPALNE-ROJLCIKYSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224674898 571600743 /nfs/dbraw/zinc/60/07/43/571600743.db2.gz CZUUJTCTDGHQCY-CZNDPXEESA-N 0 0 574.706 7.496 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000224041973 571600767 /nfs/dbraw/zinc/60/07/67/571600767.db2.gz AWRDEDZDAMUUIH-NSOVKSMOSA-N 0 0 549.140 6.569 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224675758 571600811 /nfs/dbraw/zinc/60/08/11/571600811.db2.gz SOVHWPZTLCYXSZ-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676407 571600961 /nfs/dbraw/zinc/60/09/61/571600961.db2.gz KTECYQRGVRKPPG-JHOUSYSJSA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224675955 571601018 /nfs/dbraw/zinc/60/10/18/571601018.db2.gz WUWQEMNGOYXKOC-SAIUNTKASA-N 0 0 579.169 8.729 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224050787 571602173 /nfs/dbraw/zinc/60/21/73/571602173.db2.gz GQWILRKVLOFMJD-VMPREFPWSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224051495 571602287 /nfs/dbraw/zinc/60/22/87/571602287.db2.gz UUOXZBLHYYYMEZ-NSOVKSMOSA-N 0 0 601.094 7.364 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224052098 571602456 /nfs/dbraw/zinc/60/24/56/571602456.db2.gz PQODUZFRUGUSLS-XZWHSSHBSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224052244 571602470 /nfs/dbraw/zinc/60/24/70/571602470.db2.gz OVNJHRJVKWIWHL-NSOVKSMOSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224053181 571602646 /nfs/dbraw/zinc/60/26/46/571602646.db2.gz ATVHLDOHSGUQKX-NSOVKSMOSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224053933 571602817 /nfs/dbraw/zinc/60/28/17/571602817.db2.gz RXHLBBWOTQLOGK-IZLXSDGUSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224054744 571602921 /nfs/dbraw/zinc/60/29/21/571602921.db2.gz IKDHPTVRWAAYBF-VSGBNLITSA-N 0 0 549.096 6.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224056590 571603277 /nfs/dbraw/zinc/60/32/77/571603277.db2.gz FPNHVCDSVVVMBS-WUFINQPMSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224056653 571603437 /nfs/dbraw/zinc/60/34/37/571603437.db2.gz FPNHVCDSVVVMBS-VSGBNLITSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224060841 571604503 /nfs/dbraw/zinc/60/45/03/571604503.db2.gz PIHPYUDPBMSAMV-WUFINQPMSA-N 0 0 548.112 6.048 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)cc1 ZINC000224689378 571604797 /nfs/dbraw/zinc/60/47/97/571604797.db2.gz LTCYWRAWXATSRQ-ZWXJPIIXSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)n1-c1ccccc1 ZINC000224689198 571604807 /nfs/dbraw/zinc/60/48/07/571604807.db2.gz YEPNZLRXQCUWPA-IOWSJCHKSA-N 0 0 516.670 7.459 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224689928 571604996 /nfs/dbraw/zinc/60/49/96/571604996.db2.gz DHTFUVNKLGBXQX-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224694418 571605863 /nfs/dbraw/zinc/60/58/63/571605863.db2.gz AQTULHKAIBQVIH-ZPGRZCPFSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000224695468 571606005 /nfs/dbraw/zinc/60/60/05/571606005.db2.gz POAJCPCTPZMCGI-ZWXJPIIXSA-N 0 0 581.185 8.645 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000224695359 571606016 /nfs/dbraw/zinc/60/60/16/571606016.db2.gz OBOUHQDITONRAY-ZWXJPIIXSA-N 0 0 546.740 7.991 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000224074588 571606663 /nfs/dbraw/zinc/60/66/63/571606663.db2.gz STZKZZSVVWHIDG-NSOVKSMOSA-N 0 0 549.096 6.045 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000224075361 571606761 /nfs/dbraw/zinc/60/67/61/571606761.db2.gz QQAZBMQLQMBEII-URLMMPGGSA-N 0 0 591.133 6.131 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000224075312 571606808 /nfs/dbraw/zinc/60/68/08/571606808.db2.gz QQAZBMQLQMBEII-WDYNHAJCSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1 ZINC000224702709 571606822 /nfs/dbraw/zinc/60/68/22/571606822.db2.gz VQXNFVSQJOHRSS-ROJLCIKYSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224702208 571606824 /nfs/dbraw/zinc/60/68/24/571606824.db2.gz WDJBUJUYHFUOPE-MPQUPPDSSA-N 0 0 580.757 8.920 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224703437 571606887 /nfs/dbraw/zinc/60/68/87/571606887.db2.gz HPDXTQJKEPCPHZ-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224705887 571607039 /nfs/dbraw/zinc/60/70/39/571607039.db2.gz XMFRBTSURXQIIC-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224706422 571607082 /nfs/dbraw/zinc/60/70/82/571607082.db2.gz PHXLSYSFBHDOIP-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224706206 571607094 /nfs/dbraw/zinc/60/70/94/571607094.db2.gz MPUJVUNOPBVOAD-ROJLCIKYSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224706466 571607130 /nfs/dbraw/zinc/60/71/30/571607130.db2.gz PHXLSYSFBHDOIP-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)C ZINC000224081223 571607263 /nfs/dbraw/zinc/60/72/63/571607263.db2.gz UWBRFBWMARZSAC-WDYNHAJCSA-N 0 0 574.194 7.447 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224708296 571607393 /nfs/dbraw/zinc/60/73/93/571607393.db2.gz RPPIVWJEZDMZLU-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224708844 571607548 /nfs/dbraw/zinc/60/75/48/571607548.db2.gz GWKIAJFWMRLGDS-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224709174 571607614 /nfs/dbraw/zinc/60/76/14/571607614.db2.gz JRBMKTGCLDJQPC-LQJZCPKCSA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224710106 571607947 /nfs/dbraw/zinc/60/79/47/571607947.db2.gz OIZCAQIKLIEHQI-SAIUNTKASA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C ZINC000224089759 571608379 /nfs/dbraw/zinc/60/83/79/571608379.db2.gz LYKIIQDHUBGRSB-KYJUHHDHSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224090198 571608541 /nfs/dbraw/zinc/60/85/41/571608541.db2.gz BVCMUVGYGMRQNN-KYJUHHDHSA-N 0 0 537.733 6.878 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224093674 571609007 /nfs/dbraw/zinc/60/90/07/571609007.db2.gz JSMVVDVETGKHFB-KYJUHHDHSA-N 0 0 553.732 6.578 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224093898 571609060 /nfs/dbraw/zinc/60/90/60/571609060.db2.gz JQRPKOYTYWPUKZ-KYJUHHDHSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224095803 571609329 /nfs/dbraw/zinc/60/93/29/571609329.db2.gz ITVXUEJAWHGKQA-FIRIVFDPSA-N 0 0 551.760 7.186 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098255 571609718 /nfs/dbraw/zinc/60/97/18/571609718.db2.gz ZMPDOWBWUOQIPO-XZWHSSHBSA-N 0 0 588.177 7.231 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098725 571609791 /nfs/dbraw/zinc/60/97/91/571609791.db2.gz SSUARLQMWKRPQD-XDFJSJKPSA-N 0 0 565.787 7.440 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ncccc1C ZINC000224099071 571609834 /nfs/dbraw/zinc/60/98/34/571609834.db2.gz ZXWJOKYSWFRABH-VSGBNLITSA-N 0 0 538.721 6.273 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224723783 571610895 /nfs/dbraw/zinc/61/08/95/571610895.db2.gz AHSNMGFYOQLLLV-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224113866 571611479 /nfs/dbraw/zinc/61/14/79/571611479.db2.gz FUNVLYRBTUOMPD-KYJUHHDHSA-N 0 0 581.742 6.356 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224113755 571611506 /nfs/dbraw/zinc/61/15/06/571611506.db2.gz FUNVLYRBTUOMPD-IHLOFXLRSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc5ccccc54)c3C)cc2)cc1 ZINC000224736400 571612415 /nfs/dbraw/zinc/61/24/15/571612415.db2.gz SZKUOWGVHZYMEZ-MPQUPPDSSA-N 0 0 596.756 8.620 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc5ccccc54)c3C)cc2)cc1 ZINC000224736443 571612428 /nfs/dbraw/zinc/61/24/28/571612428.db2.gz SZKUOWGVHZYMEZ-LQFQNGICSA-N 0 0 596.756 8.620 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)cc1 ZINC000224739914 571612714 /nfs/dbraw/zinc/61/27/14/571612714.db2.gz IPFRWKIZEVBEKA-ACHIHNKUSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(O)cc4)c3C)cc2)cc1 ZINC000224740910 571612793 /nfs/dbraw/zinc/61/27/93/571612793.db2.gz SBEULLVDMXKXSV-AJQTZOPKSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(OC)c4)c3C)cc2)cc1 ZINC000224741067 571612809 /nfs/dbraw/zinc/61/28/09/571612809.db2.gz KWHIKRSZRPHPLW-SAIUNTKASA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)cc2)cc1 ZINC000224742135 571612853 /nfs/dbraw/zinc/61/28/53/571612853.db2.gz KPCUROKYRYWRBK-SZAHLOSFSA-N 0 0 589.765 7.533 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)cc1 ZINC000224742454 571612951 /nfs/dbraw/zinc/61/29/51/571612951.db2.gz JHWGZVYUBRVTRZ-ACHIHNKUSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4C)c3C)cc2)cc1 ZINC000224744185 571613063 /nfs/dbraw/zinc/61/30/63/571613063.db2.gz BQFODWIEUVYHEG-JHOUSYSJSA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4C)c3C)cc2)cc1 ZINC000224744235 571613070 /nfs/dbraw/zinc/61/30/70/571613070.db2.gz BQFODWIEUVYHEG-CZNDPXEESA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4C)c3C)cc2)cc1 ZINC000224744822 571613117 /nfs/dbraw/zinc/61/31/17/571613117.db2.gz AHDGQWLVPCFOJB-CZNDPXEESA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4C)c3C)cc2)cc1 ZINC000224744735 571613144 /nfs/dbraw/zinc/61/31/44/571613144.db2.gz AHDGQWLVPCFOJB-SAIUNTKASA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(C)n3-c3ccc(OC)cc3)cc2)cc1 ZINC000224757619 571614365 /nfs/dbraw/zinc/61/43/65/571614365.db2.gz WRSVFFWZRLHOKB-ACHIHNKUSA-N 0 0 562.695 7.167 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c1 ZINC000224758067 571614436 /nfs/dbraw/zinc/61/44/36/571614436.db2.gz COWWLEOTOMUBCB-SAIUNTKASA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224762483 571614827 /nfs/dbraw/zinc/61/48/27/571614827.db2.gz WLXISWRLXYJRLJ-CONSDPRKSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 ZINC000224765402 571615075 /nfs/dbraw/zinc/61/50/75/571615075.db2.gz IAANDZKLONLXQB-XZWHSSHBSA-N 0 0 578.723 7.121 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C ZINC000224771278 571615620 /nfs/dbraw/zinc/61/56/20/571615620.db2.gz OMBTYMIBNATOGP-ROJLCIKYSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224773044 571615730 /nfs/dbraw/zinc/61/57/30/571615730.db2.gz XPXFADHMPGNLBE-CONSDPRKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224773988 571615814 /nfs/dbraw/zinc/61/58/14/571615814.db2.gz WWKQSIOFFZISDP-JSOSNVBQSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224774238 571615826 /nfs/dbraw/zinc/61/58/26/571615826.db2.gz SBEZXBCAIAWHPL-IOWSJCHKSA-N 0 0 656.631 8.488 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224774975 571615901 /nfs/dbraw/zinc/61/59/01/571615901.db2.gz OIEAFJDNBNJNBQ-ROJLCIKYSA-N 0 0 607.761 7.734 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224776264 571616036 /nfs/dbraw/zinc/61/60/36/571616036.db2.gz KHTPVGPOBITOJL-JSOSNVBQSA-N 0 0 646.625 9.032 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224776617 571616045 /nfs/dbraw/zinc/61/60/45/571616045.db2.gz DQOSOUFEGCMBCE-CZNDPXEESA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224777834 571616151 /nfs/dbraw/zinc/61/61/51/571616151.db2.gz MTGBVQKZXLCPMR-ZWXJPIIXSA-N 0 0 626.207 8.687 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224777927 571616179 /nfs/dbraw/zinc/61/61/79/571616179.db2.gz MTGBVQKZXLCPMR-ACHIHNKUSA-N 0 0 626.207 8.687 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779033 571616245 /nfs/dbraw/zinc/61/62/45/571616245.db2.gz LUDBYWZPPIITPD-ZWXJPIIXSA-N 0 0 652.758 7.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224779748 571616307 /nfs/dbraw/zinc/61/63/07/571616307.db2.gz AAWDVVBUFWOVTL-FIRIVFDPSA-N 0 0 592.750 7.429 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224792189 571617528 /nfs/dbraw/zinc/61/75/28/571617528.db2.gz UZWALIKQNXLYOG-ZWXJPIIXSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(OC)c1 ZINC000224796175 571617910 /nfs/dbraw/zinc/61/79/10/571617910.db2.gz LEVDNLYOSLGWAU-CONSDPRKSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c(OC)c1 ZINC000224800650 571618401 /nfs/dbraw/zinc/61/84/01/571618401.db2.gz WRDHZRMLJPDZGD-KAYWLYCHSA-N 0 0 535.069 6.042 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c(OC)c1 ZINC000224806001 571618856 /nfs/dbraw/zinc/61/88/56/571618856.db2.gz HUDGZOORLMMLJH-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224807988 571618980 /nfs/dbraw/zinc/61/89/80/571618980.db2.gz PEYWHWGNLHPIRI-IZLXSDGUSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 ZINC000224809316 571619167 /nfs/dbraw/zinc/61/91/67/571619167.db2.gz XVKLTDUMQVBWJC-SVBPBHIXSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c(OC)c1 ZINC000224809812 571619205 /nfs/dbraw/zinc/61/92/05/571619205.db2.gz RAEBGUUDZCTBGC-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 ZINC000224810597 571619256 /nfs/dbraw/zinc/61/92/56/571619256.db2.gz ORZMPTAXXYJGRS-IZLXSDGUSA-N 0 0 528.634 5.412 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224824940 571620680 /nfs/dbraw/zinc/62/06/80/571620680.db2.gz GPDJELNRBAMGMX-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1 ZINC000224840451 571622296 /nfs/dbraw/zinc/62/22/96/571622296.db2.gz UGPTXQKUCFYPQK-SXOMAYOGSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224840645 571622310 /nfs/dbraw/zinc/62/23/10/571622310.db2.gz OSGXHDNCLKTYJZ-IZLXSDGUSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224841974 571622397 /nfs/dbraw/zinc/62/23/97/571622397.db2.gz IBJXLKMGUIKRJX-SVBPBHIXSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224842259 571622453 /nfs/dbraw/zinc/62/24/53/571622453.db2.gz YCLQKHOXVQEUBX-RRPNLBNLSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 ZINC000224842655 571622460 /nfs/dbraw/zinc/62/24/60/571622460.db2.gz RQNFSEGSDJDFJG-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000224842933 571622519 /nfs/dbraw/zinc/62/25/19/571622519.db2.gz CRXNLQQAQXREHH-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224843622 571622553 /nfs/dbraw/zinc/62/25/53/571622553.db2.gz OUBBSLVPPSXXFJ-WUFINQPMSA-N 0 0 533.097 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc2ccccc21 ZINC000224867241 571624791 /nfs/dbraw/zinc/62/47/91/571624791.db2.gz WIHMDYOWTPRGOV-FQLXRVMXSA-N 0 0 525.077 7.178 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224868947 571624971 /nfs/dbraw/zinc/62/49/71/571624971.db2.gz KRHMJFVWLZJDDJ-SVBPBHIXSA-N 0 0 503.071 6.588 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Cl ZINC000224869621 571625045 /nfs/dbraw/zinc/62/50/45/571625045.db2.gz CYVMKNKDXVFBRO-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Br ZINC000224870230 571625096 /nfs/dbraw/zinc/62/50/96/571625096.db2.gz MGOROHANWDFINJ-DQEYMECFSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224870408 571625186 /nfs/dbraw/zinc/62/51/86/571625186.db2.gz NPRZTTBCUWLFKX-DQEYMECFSA-N 0 0 553.913 6.788 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224871142 571625251 /nfs/dbraw/zinc/62/52/51/571625251.db2.gz VJGQGVVHCFEPPK-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224872310 571625334 /nfs/dbraw/zinc/62/53/34/571625334.db2.gz LIAXYFPOJVVTEH-RPBOFIJWSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873374 571625515 /nfs/dbraw/zinc/62/55/15/571625515.db2.gz DOKLPSPSMXGEGQ-FTJBHMTQSA-N 0 0 519.026 5.754 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224886316 571626744 /nfs/dbraw/zinc/62/67/44/571626744.db2.gz LHULXARDKMHEDD-FTJBHMTQSA-N 0 0 533.053 5.812 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224886577 571626817 /nfs/dbraw/zinc/62/68/17/571626817.db2.gz CSXMITXEZHKMCD-UIOOFZCWSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224896927 571627814 /nfs/dbraw/zinc/62/78/14/571627814.db2.gz LDWVDWUGLSFGIB-KYJUHHDHSA-N 0 0 506.650 7.267 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224899852 571628132 /nfs/dbraw/zinc/62/81/32/571628132.db2.gz SFUSZGFSBZHVAZ-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224901744 571628277 /nfs/dbraw/zinc/62/82/77/571628277.db2.gz HTRLEKHZYUWSRM-CLJLJLNGSA-N 0 0 525.480 7.421 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224903579 571628435 /nfs/dbraw/zinc/62/84/35/571628435.db2.gz XOYAOJPGFKSYLY-SVBPBHIXSA-N 0 0 531.613 6.031 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904146 571628497 /nfs/dbraw/zinc/62/84/97/571628497.db2.gz UEMYAWVQJIHTCC-KAYWLYCHSA-N 0 0 531.613 6.031 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224926688 571630724 /nfs/dbraw/zinc/63/07/24/571630724.db2.gz WBPZZQVWMZDTTG-LOYHVIPDSA-N 0 0 567.556 7.890 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C ZINC000224927383 571630828 /nfs/dbraw/zinc/63/08/28/571630828.db2.gz PJEDZHJUEFYQPX-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224927606 571630839 /nfs/dbraw/zinc/63/08/39/571630839.db2.gz BCMLOWUDENLOMW-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224927980 571630883 /nfs/dbraw/zinc/63/08/83/571630883.db2.gz WNEZUEVSKWUFQM-FTJBHMTQSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224928872 571630968 /nfs/dbraw/zinc/63/09/68/571630968.db2.gz NIEPBRUYARGFTQ-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224929373 571630990 /nfs/dbraw/zinc/63/09/90/571630990.db2.gz YGGAUZHKSRBJSM-IZZNHLLZSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224929205 571631011 /nfs/dbraw/zinc/63/10/11/571631011.db2.gz MPADESYXVLRWKA-IZZNHLLZSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224928915 571631025 /nfs/dbraw/zinc/63/10/25/571631025.db2.gz NIEPBRUYARGFTQ-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224930444 571631111 /nfs/dbraw/zinc/63/11/11/571631111.db2.gz LGMZEYJWVNDIGH-RRPNLBNLSA-N 0 0 547.522 6.746 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224932164 571631252 /nfs/dbraw/zinc/63/12/52/571631252.db2.gz XRRVMMGUJKTHDY-WUFINQPMSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224932257 571631265 /nfs/dbraw/zinc/63/12/65/571631265.db2.gz UJPKIUQVIOYSHC-IXCJQBJRSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224932715 571631291 /nfs/dbraw/zinc/63/12/91/571631291.db2.gz KFJBAKAARMPASZ-SVBPBHIXSA-N 0 0 561.505 6.466 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224932372 571631312 /nfs/dbraw/zinc/63/13/12/571631312.db2.gz UJPKIUQVIOYSHC-XCZPVHLTSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933112 571631371 /nfs/dbraw/zinc/63/13/71/571631371.db2.gz FNPIWGWCGCLUOC-KAYWLYCHSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224933295 571631421 /nfs/dbraw/zinc/63/14/21/571631421.db2.gz QJKSOTOGVOUNHU-KAYWLYCHSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934048 571631456 /nfs/dbraw/zinc/63/14/56/571631456.db2.gz ODBJAKYNSIULAC-SXOMAYOGSA-N 0 0 592.519 6.654 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ncccc1C ZINC000224934580 571631499 /nfs/dbraw/zinc/63/14/99/571631499.db2.gz DISHIZWPGCAZIZ-RPBOFIJWSA-N 0 0 532.511 6.441 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ncccc1C ZINC000224934536 571631526 /nfs/dbraw/zinc/63/15/26/571631526.db2.gz DISHIZWPGCAZIZ-JWQCQUIFSA-N 0 0 532.511 6.441 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224945724 571632614 /nfs/dbraw/zinc/63/26/14/571632614.db2.gz JSPCHHFOMDREGV-RRPNLBNLSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224949288 571632968 /nfs/dbraw/zinc/63/29/68/571632968.db2.gz ITBFCXNZOQSTQS-IZZNHLLZSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224957477 571633681 /nfs/dbraw/zinc/63/36/81/571633681.db2.gz UXUZOORAYMBLLI-IZZNHLLZSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224957179 571633683 /nfs/dbraw/zinc/63/36/83/571633683.db2.gz HNSZLADXENJHMB-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224958270 571633803 /nfs/dbraw/zinc/63/38/03/571633803.db2.gz SLIRZQZFAZFUJQ-UIOOFZCWSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224958776 571633843 /nfs/dbraw/zinc/63/38/43/571633843.db2.gz ZPBLOWXQOBNKMN-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224961110 571634172 /nfs/dbraw/zinc/63/41/72/571634172.db2.gz YZNVVRBYDPPJPJ-CLJLJLNGSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224962263 571634229 /nfs/dbraw/zinc/63/42/29/571634229.db2.gz YGHTZOFRKVEQJG-PXJZQJOASA-N 0 0 531.125 7.254 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224962046 571634236 /nfs/dbraw/zinc/63/42/36/571634236.db2.gz ZNGUPAXNSTWLSD-SVBPBHIXSA-N 0 0 533.053 6.057 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224962388 571634312 /nfs/dbraw/zinc/63/43/12/571634312.db2.gz YGNKKYORMBVYPX-SVBPBHIXSA-N 0 0 537.516 7.290 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224985550 571636389 /nfs/dbraw/zinc/63/63/89/571636389.db2.gz BQBUOFPXWKSZNV-IOWSJCHKSA-N 0 0 556.179 7.556 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224985469 571636415 /nfs/dbraw/zinc/63/64/15/571636415.db2.gz BQBUOFPXWKSZNV-FIRIVFDPSA-N 0 0 556.179 7.556 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224986671 571636541 /nfs/dbraw/zinc/63/65/41/571636541.db2.gz LEDDYBVGIOXTDU-JSOSNVBQSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224986894 571636565 /nfs/dbraw/zinc/63/65/65/571636565.db2.gz ACLWYUOZRVLTNY-IOWSJCHKSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224986986 571636574 /nfs/dbraw/zinc/63/65/74/571636574.db2.gz ZQBUOQMBLKDWLG-FIRIVFDPSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224988196 571636699 /nfs/dbraw/zinc/63/66/99/571636699.db2.gz XKXZOEZZVMRJKU-FIRIVFDPSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224988406 571636704 /nfs/dbraw/zinc/63/67/04/571636704.db2.gz SMFAYGZEDIBPNR-JSOSNVBQSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224988136 571636721 /nfs/dbraw/zinc/63/67/21/571636721.db2.gz TVGOCJHMFZLHAW-CONSDPRKSA-N 0 0 635.075 8.318 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224988819 571636756 /nfs/dbraw/zinc/63/67/56/571636756.db2.gz KLNSYHYBNLOJDU-ACHIHNKUSA-N 0 0 586.205 7.565 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224991609 571637097 /nfs/dbraw/zinc/63/70/97/571637097.db2.gz UHGGOAJFAUUKMW-AJQTZOPKSA-N 0 0 604.651 8.518 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224992479 571637223 /nfs/dbraw/zinc/63/72/23/571637223.db2.gz FMHXYMXELAATOA-CONSDPRKSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225039187 571641209 /nfs/dbraw/zinc/64/12/09/571641209.db2.gz GWJXRVQSNYSAJK-WUFINQPMSA-N 0 0 532.113 6.323 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225043340 571641509 /nfs/dbraw/zinc/64/15/09/571641509.db2.gz OCKRNYUIJQDEKV-XZWHSSHBSA-N 0 0 509.723 6.526 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225043434 571641516 /nfs/dbraw/zinc/64/15/16/571641516.db2.gz HTMSICRDANMKOV-LOYHVIPDSA-N 0 0 509.723 6.526 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225044272 571641598 /nfs/dbraw/zinc/64/15/98/571641598.db2.gz JMETYRPDDSLFQO-VSGBNLITSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225044783 571641624 /nfs/dbraw/zinc/64/16/24/571641624.db2.gz LJPQPGNSTLINHX-VSGBNLITSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225046329 571641813 /nfs/dbraw/zinc/64/18/13/571641813.db2.gz ITZLXAISAFQQMH-IHLOFXLRSA-N 0 0 524.738 6.030 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225047613 571641966 /nfs/dbraw/zinc/64/19/66/571641966.db2.gz PUYQDFXIXYNBLN-KYJUHHDHSA-N 0 0 509.723 6.581 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225060150 571643047 /nfs/dbraw/zinc/64/30/47/571643047.db2.gz SVZONHBNGVVNRL-URLMMPGGSA-N 0 0 539.705 5.750 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225060382 571643095 /nfs/dbraw/zinc/64/30/95/571643095.db2.gz YFCJVFVMGPUFCX-VMPREFPWSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225072082 571644181 /nfs/dbraw/zinc/64/41/81/571644181.db2.gz BHTZMWXLDFDLPK-SAIUNTKASA-N 0 0 641.719 7.703 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225072342 571644241 /nfs/dbraw/zinc/64/42/41/571644241.db2.gz CDFMDUQEEAEEGG-PXLJZGITSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000225072587 571644244 /nfs/dbraw/zinc/64/42/44/571644244.db2.gz UCVMBYYNNRICJF-CZNDPXEESA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225073449 571644306 /nfs/dbraw/zinc/64/43/06/571644306.db2.gz VGFCYWBTSYIWND-CZNDPXEESA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225074340 571644413 /nfs/dbraw/zinc/64/44/13/571644413.db2.gz WGADRLMOZZXFJR-JHOUSYSJSA-N 0 0 589.721 6.389 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225074609 571644497 /nfs/dbraw/zinc/64/44/97/571644497.db2.gz LRKRTMPWGCRWDT-KKLWWLSJSA-N 0 0 603.748 6.692 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075568 571644577 /nfs/dbraw/zinc/64/45/77/571644577.db2.gz QZQIHJWFYFVECQ-PQQNNWGCSA-N 0 0 644.845 7.530 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225075750 571644592 /nfs/dbraw/zinc/64/45/92/571644592.db2.gz NNTAFADNUUASGC-JHOUSYSJSA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225076145 571644656 /nfs/dbraw/zinc/64/46/56/571644656.db2.gz GVZDWLGRIFKGCT-PXLJZGITSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225076661 571644667 /nfs/dbraw/zinc/64/46/67/571644667.db2.gz WHRQRJQQPLAMQY-PXLJZGITSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225076450 571644693 /nfs/dbraw/zinc/64/46/93/571644693.db2.gz YFBTYENJMFUQJC-QWOOXDRHSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225077044 571644709 /nfs/dbraw/zinc/64/47/09/571644709.db2.gz MCOICUNRFVTIKS-KKLWWLSJSA-N 0 0 622.194 7.646 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225076990 571644715 /nfs/dbraw/zinc/64/47/15/571644715.db2.gz FHCXOSOQEWPDPZ-GIWKVKTRSA-N 0 0 615.803 7.609 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078284 571644881 /nfs/dbraw/zinc/64/48/81/571644881.db2.gz BMTUCBFYHRUULD-PUDHBBIYSA-N 0 0 615.803 7.555 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)n1-c1ccccc1 ZINC000225088604 571646199 /nfs/dbraw/zinc/64/61/99/571646199.db2.gz IBXSTDZVQYAKCA-ROJLCIKYSA-N 0 0 559.695 6.375 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225089510 571646280 /nfs/dbraw/zinc/64/62/80/571646280.db2.gz VKOVSFVHZLDEGG-SZAHLOSFSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225093079 571646573 /nfs/dbraw/zinc/64/65/73/571646573.db2.gz XUILFZBBVAUFEI-LQJZCPKCSA-N 0 0 638.838 6.496 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225101400 571647288 /nfs/dbraw/zinc/64/72/88/571647288.db2.gz BCCYNMMAZWECLM-JSOSNVBQSA-N 0 0 581.786 7.222 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225101360 571647318 /nfs/dbraw/zinc/64/73/18/571647318.db2.gz BCCYNMMAZWECLM-FIRIVFDPSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101662 571647365 /nfs/dbraw/zinc/64/73/65/571647365.db2.gz NHXQRBXDUAPVMU-FQLXRVMXSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102940 571647434 /nfs/dbraw/zinc/64/74/34/571647434.db2.gz JFPCBVQMFRFHQT-URLMMPGGSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105093 571647643 /nfs/dbraw/zinc/64/76/43/571647643.db2.gz SIZMPNLWAABKAK-CONSDPRKSA-N 0 0 581.786 7.276 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104514 571647653 /nfs/dbraw/zinc/64/76/53/571647653.db2.gz YXEWHFMPPYBHCB-LQJZCPKCSA-N 0 0 624.855 7.506 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104683 571647677 /nfs/dbraw/zinc/64/76/77/571647677.db2.gz QJRKWCQJDCXNFD-FQLXRVMXSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105339 571647702 /nfs/dbraw/zinc/64/77/02/571647702.db2.gz ODMYWESHPJYJLG-IGYGKHONSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107726 571647996 /nfs/dbraw/zinc/64/79/96/571647996.db2.gz YBRMCQBCHNMGEB-URLMMPGGSA-N 0 0 568.747 6.363 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000225129304 571650075 /nfs/dbraw/zinc/65/00/75/571650075.db2.gz BFZIWDNYLDCVFF-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225129858 571650161 /nfs/dbraw/zinc/65/01/61/571650161.db2.gz OKIBEJUPIRDYEQ-LOYHVIPDSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000225130386 571650197 /nfs/dbraw/zinc/65/01/97/571650197.db2.gz LFAACKRZSMLEDJ-IZLXSDGUSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225131557 571650280 /nfs/dbraw/zinc/65/02/80/571650280.db2.gz FSOVCUHPPDDERZ-WUFINQPMSA-N 0 0 623.020 7.677 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000225131705 571650307 /nfs/dbraw/zinc/65/03/07/571650307.db2.gz WHNDRPQXAJFPPO-UHFFFAOYSA-N 0 0 574.541 5.124 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225131992 571650355 /nfs/dbraw/zinc/65/03/55/571650355.db2.gz HTNZSQLIVLCWTA-WDYNHAJCSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000225135831 571650695 /nfs/dbraw/zinc/65/06/95/571650695.db2.gz HFWJVDXELTXZGV-SXOMAYOGSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)n1-c1ccccc1 ZINC000225145416 571651859 /nfs/dbraw/zinc/65/18/59/571651859.db2.gz MFDOWIZAEHBAAT-SXOMAYOGSA-N 0 0 530.097 6.606 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225145943 571651898 /nfs/dbraw/zinc/65/18/98/571651898.db2.gz DHRVVRYOWFFQRZ-URLMMPGGSA-N 0 0 602.160 6.701 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225146271 571651942 /nfs/dbraw/zinc/65/19/42/571651942.db2.gz CVXWWBYXTYNFBI-URLMMPGGSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225149629 571652375 /nfs/dbraw/zinc/65/23/75/571652375.db2.gz ZIHJGXZJALINDL-URLMMPGGSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225158432 571653115 /nfs/dbraw/zinc/65/31/15/571653115.db2.gz DFMARFHYBFTMHA-FQLXRVMXSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225158948 571653189 /nfs/dbraw/zinc/65/31/89/571653189.db2.gz OEFZQZQNOBXPPC-FQLXRVMXSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225159579 571653238 /nfs/dbraw/zinc/65/32/38/571653238.db2.gz VMMHVAJJROXPKV-URLMMPGGSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225159952 571653271 /nfs/dbraw/zinc/65/32/71/571653271.db2.gz TZKQHYWXVVDXRK-LOYHVIPDSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1C ZINC000225160681 571653327 /nfs/dbraw/zinc/65/33/27/571653327.db2.gz VAAHVIIIPUVBTB-LQJZCPKCSA-N 0 0 580.802 7.169 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1C ZINC000225160813 571653359 /nfs/dbraw/zinc/65/33/59/571653359.db2.gz VAAHVIIIPUVBTB-CZNDPXEESA-N 0 0 580.802 7.169 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225163652 571653600 /nfs/dbraw/zinc/65/36/00/571653600.db2.gz LVPPQFCTDNBAIK-VMPREFPWSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225164094 571653651 /nfs/dbraw/zinc/65/36/51/571653651.db2.gz XMFNSMLDTRUEHU-FQLXRVMXSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225164018 571653670 /nfs/dbraw/zinc/65/36/70/571653670.db2.gz XMFNSMLDTRUEHU-WDYNHAJCSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225174407 571654557 /nfs/dbraw/zinc/65/45/57/571654557.db2.gz BHVPGTAHFVREDQ-XZWHSSHBSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225174130 571654566 /nfs/dbraw/zinc/65/45/66/571654566.db2.gz KIGSXODZEJUGEM-LOYHVIPDSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1OC ZINC000225181822 571655366 /nfs/dbraw/zinc/65/53/66/571655366.db2.gz NAPNFIYGOWBWEY-FQLXRVMXSA-N 0 0 576.122 6.382 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1OC ZINC000225184527 571655636 /nfs/dbraw/zinc/65/56/36/571655636.db2.gz YLZSOOYRWMYOLL-CZNDPXEESA-N 0 0 575.738 7.177 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC ZINC000225185634 571655745 /nfs/dbraw/zinc/65/57/45/571655745.db2.gz QUBZJTFNCWISSE-URLMMPGGSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1OC ZINC000225185888 571655762 /nfs/dbraw/zinc/65/57/62/571655762.db2.gz VHZZQTMTEUIACA-CONSDPRKSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1OC ZINC000225185803 571655767 /nfs/dbraw/zinc/65/57/67/571655767.db2.gz UEWIGVJJCFOOJQ-IOWSJCHKSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1OC ZINC000225186076 571655795 /nfs/dbraw/zinc/65/57/95/571655795.db2.gz LCFPVCMSAYICRM-WDYNHAJCSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC ZINC000225186463 571655811 /nfs/dbraw/zinc/65/58/11/571655811.db2.gz WXLNMMCUZPQTMD-FQLXRVMXSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000225186936 571655891 /nfs/dbraw/zinc/65/58/91/571655891.db2.gz VWRSTNYKQXFHEN-URLMMPGGSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1OC ZINC000225187537 571655999 /nfs/dbraw/zinc/65/59/99/571655999.db2.gz NBMLQHXNCJSOLO-VMPREFPWSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1OC ZINC000225187910 571656045 /nfs/dbraw/zinc/65/60/45/571656045.db2.gz GMFZHTIBZXKMRG-IHLOFXLRSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1OC ZINC000225188933 571656110 /nfs/dbraw/zinc/65/61/10/571656110.db2.gz GXYVXXAOLQZFDE-SAIUNTKASA-N 0 0 596.801 6.870 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1OC ZINC000225189501 571656145 /nfs/dbraw/zinc/65/61/45/571656145.db2.gz CQLNMGHUQBTRPQ-IOWSJCHKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC ZINC000225189893 571656200 /nfs/dbraw/zinc/65/62/00/571656200.db2.gz UACJMVYFXTWXRO-BVRKHOPBSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1OC ZINC000225189547 571656217 /nfs/dbraw/zinc/65/62/17/571656217.db2.gz CQLNMGHUQBTRPQ-FIRIVFDPSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OC ZINC000225190116 571656253 /nfs/dbraw/zinc/65/62/53/571656253.db2.gz XAORHLWASPRSPQ-KYJUHHDHSA-N 0 0 569.687 5.752 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC ZINC000225190592 571656299 /nfs/dbraw/zinc/65/62/99/571656299.db2.gz DPECNCLGOBCBLN-LOYHVIPDSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC ZINC000225191117 571656338 /nfs/dbraw/zinc/65/63/38/571656338.db2.gz SIYVOVVNROOEQP-LOYHVIPDSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1OC ZINC000225190898 571656340 /nfs/dbraw/zinc/65/63/40/571656340.db2.gz PPKZNRIEZMNOBW-XZWHSSHBSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1OC ZINC000225191433 571656380 /nfs/dbraw/zinc/65/63/80/571656380.db2.gz IQWDWYUYUQQPEI-XZWHSSHBSA-N 0 0 590.149 6.685 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1OC ZINC000225192270 571656419 /nfs/dbraw/zinc/65/64/19/571656419.db2.gz ZJLQPMZROLBLJM-WDYNHAJCSA-N 0 0 540.693 5.727 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000225209984 571658183 /nfs/dbraw/zinc/65/81/83/571658183.db2.gz XBXZQCSUPVGKMW-NSOVKSMOSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000225213757 571658575 /nfs/dbraw/zinc/65/85/75/571658575.db2.gz DMEQGDQULAIKHS-WDYNHAJCSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000225214960 571658675 /nfs/dbraw/zinc/65/86/75/571658675.db2.gz XAZHXTUONYSBRE-IZLXSDGUSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000225215380 571658697 /nfs/dbraw/zinc/65/86/97/571658697.db2.gz GBOHRJBWQUUQHQ-VSGBNLITSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000225215468 571658763 /nfs/dbraw/zinc/65/87/63/571658763.db2.gz VVJXRBCPZFDQBK-IZLXSDGUSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 ZINC000225216323 571658823 /nfs/dbraw/zinc/65/88/23/571658823.db2.gz NKVMGOVDGLJYEB-WDYNHAJCSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000225216580 571658838 /nfs/dbraw/zinc/65/88/38/571658838.db2.gz ZTFBURBCCKXATM-FQLXRVMXSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000225216498 571658850 /nfs/dbraw/zinc/65/88/50/571658850.db2.gz ZTFBURBCCKXATM-WDYNHAJCSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000225218804 571659104 /nfs/dbraw/zinc/65/91/04/571659104.db2.gz FGTNQAHKECITJS-IGYGKHONSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000225219107 571659189 /nfs/dbraw/zinc/65/91/89/571659189.db2.gz GXEBWBKQSBUYCI-WDYNHAJCSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000225230605 571660422 /nfs/dbraw/zinc/66/04/22/571660422.db2.gz FZRXHHOTGJJITL-WDYNHAJCSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000225230508 571660434 /nfs/dbraw/zinc/66/04/34/571660434.db2.gz RYMCILREKVRPJI-FQLXRVMXSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000225234287 571660821 /nfs/dbraw/zinc/66/08/21/571660821.db2.gz WSKFPNKLTLJPNN-AJQTZOPKSA-N 0 0 631.202 5.741 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000225236234 571661062 /nfs/dbraw/zinc/66/10/62/571661062.db2.gz GBGMZRDURHOTCF-SVBPBHIXSA-N 0 0 547.084 5.300 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000225241147 571661616 /nfs/dbraw/zinc/66/16/16/571661616.db2.gz LVLOFSZTIUMOBT-WUFINQPMSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000225241565 571661663 /nfs/dbraw/zinc/66/16/63/571661663.db2.gz FBOSPDZVLJNGDA-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000225243094 571661834 /nfs/dbraw/zinc/66/18/34/571661834.db2.gz RSHKDZOEUUNGFI-WUFINQPMSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000225243829 571661904 /nfs/dbraw/zinc/66/19/04/571661904.db2.gz MXYUGWOWTABIDH-NSOVKSMOSA-N 0 0 562.095 5.610 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225244997 571662014 /nfs/dbraw/zinc/66/20/14/571662014.db2.gz UKMKITVWGPPEAI-ZWXJPIIXSA-N 0 0 617.219 6.751 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000225245168 571662051 /nfs/dbraw/zinc/66/20/51/571662051.db2.gz RSMREKUSXDDLFJ-IZLXSDGUSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000225245524 571662058 /nfs/dbraw/zinc/66/20/58/571662058.db2.gz BVULSUISFPPGSW-XZWHSSHBSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000225245295 571662076 /nfs/dbraw/zinc/66/20/76/571662076.db2.gz OLXPCEKORZRILF-NSOVKSMOSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000225245712 571662091 /nfs/dbraw/zinc/66/20/91/571662091.db2.gz PVTRAGFILILILM-LOYHVIPDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000225245978 571662102 /nfs/dbraw/zinc/66/21/02/571662102.db2.gz QWTXATKFFKBKGI-IHLOFXLRSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000225246284 571662151 /nfs/dbraw/zinc/66/21/51/571662151.db2.gz VPZBLNHNBXWHSG-VEEOACQBSA-N 0 0 588.177 6.830 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000225246440 571662158 /nfs/dbraw/zinc/66/21/58/571662158.db2.gz PGMCVDOUYBCKIN-WDYNHAJCSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000225246355 571662176 /nfs/dbraw/zinc/66/21/76/571662176.db2.gz VPZBLNHNBXWHSG-BVRKHOPBSA-N 0 0 588.177 6.830 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000225246975 571662198 /nfs/dbraw/zinc/66/21/98/571662198.db2.gz LFSQUWOIUDFWSI-URLMMPGGSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000225246903 571662227 /nfs/dbraw/zinc/66/22/27/571662227.db2.gz LFSQUWOIUDFWSI-VMPREFPWSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000225257687 571663369 /nfs/dbraw/zinc/66/33/69/571663369.db2.gz BJYUOIYGFKTVRF-VMPREFPWSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225267925 571664633 /nfs/dbraw/zinc/66/46/33/571664633.db2.gz SWZNXZANJWHZIN-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225267887 571664637 /nfs/dbraw/zinc/66/46/37/571664637.db2.gz SWZNXZANJWHZIN-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225268207 571664679 /nfs/dbraw/zinc/66/46/79/571664679.db2.gz GDPHTAUNAZLQLU-FIRIVFDPSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225269519 571664824 /nfs/dbraw/zinc/66/48/24/571664824.db2.gz CXAGBRAVAAPUMN-URLMMPGGSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225269842 571664882 /nfs/dbraw/zinc/66/48/82/571664882.db2.gz JNFIRNHVVLDFIR-FQLXRVMXSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225270094 571664939 /nfs/dbraw/zinc/66/49/39/571664939.db2.gz PCIDDZYRVSMITD-WDYNHAJCSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225271434 571665092 /nfs/dbraw/zinc/66/50/92/571665092.db2.gz PNNVAAFIYKIGQT-FQLXRVMXSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225272948 571665240 /nfs/dbraw/zinc/66/52/40/571665240.db2.gz WKTMAHPUPBOCKJ-LOYHVIPDSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225273513 571665273 /nfs/dbraw/zinc/66/52/73/571665273.db2.gz ZRQXOQBPTVZYQP-IHLOFXLRSA-N 0 0 590.149 6.222 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225273903 571665323 /nfs/dbraw/zinc/66/53/23/571665323.db2.gz KELMUDYVNMSSHE-CDZUIXILSA-N 0 0 567.759 6.430 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225274114 571665375 /nfs/dbraw/zinc/66/53/75/571665375.db2.gz LEWDHEMWLBDLCZ-NSOVKSMOSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225274023 571665380 /nfs/dbraw/zinc/66/53/80/571665380.db2.gz BZLOMYFRIMBESM-URLMMPGGSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225284232 571666374 /nfs/dbraw/zinc/66/63/74/571666374.db2.gz ABYHUVHJVZDBMG-XZWHSSHBSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1OC ZINC000225288926 571666939 /nfs/dbraw/zinc/66/69/39/571666939.db2.gz UWSGBNABOFZEBO-VMPREFPWSA-N 0 0 557.720 5.484 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1OC ZINC000225291555 571667272 /nfs/dbraw/zinc/66/72/72/571667272.db2.gz BZRZKGRTMMZSJI-FQLXRVMXSA-N 0 0 592.121 5.619 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1OC ZINC000225291520 571667304 /nfs/dbraw/zinc/66/73/04/571667304.db2.gz BZRZKGRTMMZSJI-URLMMPGGSA-N 0 0 592.121 5.619 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1OC ZINC000225293877 571667598 /nfs/dbraw/zinc/66/75/98/571667598.db2.gz LFRYMZZEAZGWPM-LQJZCPKCSA-N 0 0 591.737 6.413 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1OC ZINC000225295032 571667788 /nfs/dbraw/zinc/66/77/88/571667788.db2.gz YNXCHJXGTSLONB-FQLXRVMXSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1OC ZINC000225295791 571667871 /nfs/dbraw/zinc/66/78/71/571667871.db2.gz NLLFZOJKWNGQDB-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1OC ZINC000225295777 571667904 /nfs/dbraw/zinc/66/79/04/571667904.db2.gz NLLFZOJKWNGQDB-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1OC ZINC000225295967 571667916 /nfs/dbraw/zinc/66/79/16/571667916.db2.gz IMILQSLJGZPEGO-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1OC ZINC000225296171 571667983 /nfs/dbraw/zinc/66/79/83/571667983.db2.gz OXRYWCOKGBVWSI-FQLXRVMXSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1OC ZINC000225299487 571668476 /nfs/dbraw/zinc/66/84/76/571668476.db2.gz RGQYTLCXXJBYKD-IHLOFXLRSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)ccc1OC ZINC000225299645 571668501 /nfs/dbraw/zinc/66/85/01/571668501.db2.gz ZCGDAZDJJUBTMH-IHLOFXLRSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1OC ZINC000225300114 571668524 /nfs/dbraw/zinc/66/85/24/571668524.db2.gz GMBACOCPLWGBPP-IHLOFXLRSA-N 0 0 606.148 5.922 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1OC ZINC000225300265 571668604 /nfs/dbraw/zinc/66/86/04/571668604.db2.gz YBEJGKUJBDVISA-IHLOFXLRSA-N 0 0 616.700 5.177 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NC(C)=O ZINC000225318339 571672233 /nfs/dbraw/zinc/67/22/33/571672233.db2.gz QPNHYVJDFKRZPS-FQLXRVMXSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NC(C)=O ZINC000225318274 571672273 /nfs/dbraw/zinc/67/22/73/571672273.db2.gz QPNHYVJDFKRZPS-WDYNHAJCSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NC(C)=O ZINC000225318699 571672509 /nfs/dbraw/zinc/67/25/09/571672509.db2.gz LJLIDFRRZTUEFE-NSOVKSMOSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NC(C)=O ZINC000225318611 571672523 /nfs/dbraw/zinc/67/25/23/571672523.db2.gz DBWZMDMTNOXTOJ-URLMMPGGSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NC(C)=O ZINC000225318576 571672551 /nfs/dbraw/zinc/67/25/51/571672551.db2.gz DBWZMDMTNOXTOJ-WDYNHAJCSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NC(C)=O ZINC000225319417 571673167 /nfs/dbraw/zinc/67/31/67/571673167.db2.gz LVRUXXPGWYQLKZ-VSGBNLITSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O ZINC000225319631 571673803 /nfs/dbraw/zinc/67/38/03/571673803.db2.gz PLOUCHRSSXKGEZ-WUFINQPMSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NC(C)=O ZINC000225319576 571673874 /nfs/dbraw/zinc/67/38/74/571673874.db2.gz RXHRTIUUEIISQN-VSGBNLITSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NC(C)=O ZINC000225319743 571674380 /nfs/dbraw/zinc/67/43/80/571674380.db2.gz BMKDNUZRJAIACL-VSGBNLITSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NC(C)=O ZINC000225319901 571674389 /nfs/dbraw/zinc/67/43/89/571674389.db2.gz PHJVUQALYAZBJZ-WUFINQPMSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NC(C)=O ZINC000225320018 571674883 /nfs/dbraw/zinc/67/48/83/571674883.db2.gz JIFZLPDBHLVAFW-WUFINQPMSA-N 0 0 527.650 5.339 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320911 571676428 /nfs/dbraw/zinc/67/64/28/571676428.db2.gz SCQIFQAQUFGJDT-AJQTZOPKSA-N 0 0 582.774 6.479 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NC(C)=O ZINC000225321589 571677256 /nfs/dbraw/zinc/67/72/56/571677256.db2.gz WCBSLCIJDCOLFS-JDXGNMNLSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NC(C)=O ZINC000225322739 571678619 /nfs/dbraw/zinc/67/86/19/571678619.db2.gz GAFUSVJLPMIGMK-WDYNHAJCSA-N 0 0 560.123 6.595 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225323416 571679523 /nfs/dbraw/zinc/67/95/23/571679523.db2.gz VRTXBZODWJPAPV-SMCANUKXSA-N 0 0 553.732 6.504 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NC(C)=O ZINC000225323689 571679551 /nfs/dbraw/zinc/67/95/51/571679551.db2.gz DZYIZTFDDJQEQC-RRPNLBNLSA-N 0 0 526.666 5.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NC(C)=O ZINC000225323876 571680054 /nfs/dbraw/zinc/68/00/54/571680054.db2.gz ZHDVMJOITLMBEK-VSGBNLITSA-N 0 0 526.666 5.337 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000225332551 571690539 /nfs/dbraw/zinc/69/05/39/571690539.db2.gz AODOJXVHNARUEO-IZLXSDGUSA-N 0 0 527.650 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225339577 571698169 /nfs/dbraw/zinc/69/81/69/571698169.db2.gz FBLCNPAJTGNFIU-VSGBNLITSA-N 0 0 533.097 6.812 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225343361 571702409 /nfs/dbraw/zinc/70/24/09/571702409.db2.gz GHWZEZDWALPOOO-NSOVKSMOSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000225344134 571703521 /nfs/dbraw/zinc/70/35/21/571703521.db2.gz JGFVWFCUTFDIAO-VSGBNLITSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000225344630 571703979 /nfs/dbraw/zinc/70/39/79/571703979.db2.gz OLRLERVVYTYZSK-WUFINQPMSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225344281 571704079 /nfs/dbraw/zinc/70/40/79/571704079.db2.gz ZGAWIXQTPBZQAA-VSGBNLITSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225346834 571706884 /nfs/dbraw/zinc/70/68/84/571706884.db2.gz MLHWBSKBLUCFGO-IHLOFXLRSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225347381 571707610 /nfs/dbraw/zinc/70/76/10/571707610.db2.gz OMRTWRQXAOAGOH-KYJUHHDHSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225347139 571707706 /nfs/dbraw/zinc/70/77/06/571707706.db2.gz XLUXJSQBKSDODB-DGPALRBDSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225347598 571708426 /nfs/dbraw/zinc/70/84/26/571708426.db2.gz GRWYIAJWORPCSD-BVRKHOPBSA-N 0 0 524.734 7.379 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260802875 571711613 /nfs/dbraw/zinc/71/16/13/571711613.db2.gz OFKAJHYZRZKAMI-PMACEKPBSA-N 0 0 556.153 6.041 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225358928 571720129 /nfs/dbraw/zinc/72/01/29/571720129.db2.gz VLCYMLTWEYPOTC-FQLXRVMXSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000260813196 571720681 /nfs/dbraw/zinc/72/06/81/571720681.db2.gz QLJWIRPWUJBIHN-QFIPXVFZSA-N 0 0 519.711 5.436 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225362359 571724676 /nfs/dbraw/zinc/72/46/76/571724676.db2.gz WCCBCHLQHCHXKO-KYJUHHDHSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225365754 571729503 /nfs/dbraw/zinc/72/95/03/571729503.db2.gz IQQFOIGVMRDLBD-XZWHSSHBSA-N 0 0 559.135 7.347 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225368167 571732175 /nfs/dbraw/zinc/73/21/75/571732175.db2.gz SFWQEUAYMCZYNA-HEVIKAOCSA-N 0 0 558.751 8.141 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225368926 571733365 /nfs/dbraw/zinc/73/33/65/571733365.db2.gz HGJMKMCRVAGRGP-FIRIVFDPSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225368866 571733414 /nfs/dbraw/zinc/73/34/14/571733414.db2.gz PWCCETGLLQCHMV-CONSDPRKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225369152 571734055 /nfs/dbraw/zinc/73/40/55/571734055.db2.gz CVPGOMGQJWCHMA-XZWHSSHBSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1F ZINC000225369642 571734666 /nfs/dbraw/zinc/73/46/66/571734666.db2.gz MMKWJOOZCKLMLM-KYJUHHDHSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000225370001 571735064 /nfs/dbraw/zinc/73/50/64/571735064.db2.gz UTFUTPQYAWNBSU-LOYHVIPDSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225370875 571735626 /nfs/dbraw/zinc/73/56/26/571735626.db2.gz BCODATOHMPXQJR-KYJUHHDHSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225370681 571735701 /nfs/dbraw/zinc/73/57/01/571735701.db2.gz UFJHKIPLXQTIFQ-XZWHSSHBSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225370838 571735722 /nfs/dbraw/zinc/73/57/22/571735722.db2.gz BCODATOHMPXQJR-XZWHSSHBSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1O ZINC000225370959 571736158 /nfs/dbraw/zinc/73/61/58/571736158.db2.gz JMVMMEUYKXNKLZ-IHLOFXLRSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1O ZINC000225370988 571736182 /nfs/dbraw/zinc/73/61/82/571736182.db2.gz JMVMMEUYKXNKLZ-XZWHSSHBSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225371962 571737358 /nfs/dbraw/zinc/73/73/58/571737358.db2.gz HOVZVNPGIPVKTA-ROJLCIKYSA-N 0 0 551.760 7.054 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225373092 571739050 /nfs/dbraw/zinc/73/90/50/571739050.db2.gz QAIWKJAOUGHJNK-ACHIHNKUSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225373464 571739223 /nfs/dbraw/zinc/73/92/23/571739223.db2.gz QQPQAFYZQQAVRP-JSOSNVBQSA-N 0 0 557.163 7.949 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225373132 571739257 /nfs/dbraw/zinc/73/92/57/571739257.db2.gz PTVDGZSUPOFULP-FIRIVFDPSA-N 0 0 552.700 6.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225373496 571739491 /nfs/dbraw/zinc/73/94/91/571739491.db2.gz QQPQAFYZQQAVRP-IOWSJCHKSA-N 0 0 557.163 7.949 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225373582 571739515 /nfs/dbraw/zinc/73/95/15/571739515.db2.gz WMBWLEYANXXEBN-FIRIVFDPSA-N 0 0 583.714 6.904 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225373990 571740097 /nfs/dbraw/zinc/74/00/97/571740097.db2.gz VHAAJLPSGORXLP-CONSDPRKSA-N 0 0 557.163 7.949 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374226 571740148 /nfs/dbraw/zinc/74/01/48/571740148.db2.gz NUNYWSOBVJYBIF-JSOSNVBQSA-N 0 0 573.162 7.650 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851242 571751307 /nfs/dbraw/zinc/75/13/07/571751307.db2.gz KUJDTVLXPUMPPR-IZZNHLLZSA-N 0 0 533.723 5.262 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851082 571751334 /nfs/dbraw/zinc/75/13/34/571751334.db2.gz DKYSMPBHEXMEDH-UIOOFZCWSA-N 0 0 568.168 5.915 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260851187 571751454 /nfs/dbraw/zinc/75/14/54/571751454.db2.gz IRIOTUDQAFZJCY-URLMMPGGSA-N 0 0 525.722 6.023 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851246 571751499 /nfs/dbraw/zinc/75/14/99/571751499.db2.gz KUJDTVLXPUMPPR-UIOOFZCWSA-N 0 0 533.723 5.262 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851307 571752008 /nfs/dbraw/zinc/75/20/08/571752008.db2.gz OLHJXDCLPNKMHJ-WUFINQPMSA-N 0 0 529.685 5.854 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260852583 571752810 /nfs/dbraw/zinc/75/28/10/571752810.db2.gz SIWOSEMTWJWQOT-LOYHVIPDSA-N 0 0 539.749 6.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260852587 571752928 /nfs/dbraw/zinc/75/29/28/571752928.db2.gz SIWOSEMTWJWQOT-XZWHSSHBSA-N 0 0 539.749 6.277 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225386012 571754685 /nfs/dbraw/zinc/75/46/85/571754685.db2.gz UHDFSGVICWDSOW-CLJLJLNGSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225386103 571754721 /nfs/dbraw/zinc/75/47/21/571754721.db2.gz UHDFSGVICWDSOW-UIOOFZCWSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000225393364 571762534 /nfs/dbraw/zinc/76/25/34/571762534.db2.gz MBPYAGCFTRGTKA-SXOMAYOGSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225395283 571764403 /nfs/dbraw/zinc/76/44/03/571764403.db2.gz PIMIPXFKDRANMT-UIOOFZCWSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225397359 571767053 /nfs/dbraw/zinc/76/70/53/571767053.db2.gz IFAVRXOQIQAIKY-WUFINQPMSA-N 0 0 560.749 5.104 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397517 571767657 /nfs/dbraw/zinc/76/76/57/571767657.db2.gz XODCTZSMTAFCBX-IHLOFXLRSA-N 0 0 588.803 5.884 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225398582 571768134 /nfs/dbraw/zinc/76/81/34/571768134.db2.gz UJURFDVORJGTTF-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225399158 571768670 /nfs/dbraw/zinc/76/86/70/571768670.db2.gz PYVSHXKQUDZMJR-KAYWLYCHSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225425619 571791840 /nfs/dbraw/zinc/79/18/40/571791840.db2.gz PWIPUORJFLBKHN-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225425827 571792053 /nfs/dbraw/zinc/79/20/53/571792053.db2.gz BJQLHHHQQJJIDV-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225426003 571792350 /nfs/dbraw/zinc/79/23/50/571792350.db2.gz PYPLDPJSMDORSD-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426681 571792942 /nfs/dbraw/zinc/79/29/42/571792942.db2.gz ORVKOEKJMMVIFM-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NS(C)(=O)=O ZINC000225426518 571793036 /nfs/dbraw/zinc/79/30/36/571793036.db2.gz JUQJBSIPFIGCAX-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427529 571793911 /nfs/dbraw/zinc/79/39/11/571793911.db2.gz YBDSGDRMWJZJJU-WUFINQPMSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225430343 571797945 /nfs/dbraw/zinc/79/79/45/571797945.db2.gz BFFDSSPEACIQDY-NSOVKSMOSA-N 0 0 596.178 6.008 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000225446913 571819017 /nfs/dbraw/zinc/81/90/17/571819017.db2.gz QKLVXNISBIVIBA-SVBPBHIXSA-N 0 0 582.195 6.224 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225452100 571823496 /nfs/dbraw/zinc/82/34/96/571823496.db2.gz AAPKVMSKZAZWHC-FIRIVFDPSA-N 0 0 581.767 6.499 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC000225452663 571823927 /nfs/dbraw/zinc/82/39/27/571823927.db2.gz WOOMOOBICDHWPB-RRPNLBNLSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225453017 571824386 /nfs/dbraw/zinc/82/43/86/571824386.db2.gz BWSGKCQIXLZAMR-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225453512 571824936 /nfs/dbraw/zinc/82/49/36/571824936.db2.gz COQGIBGNXRPPOH-VMPREFPWSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225454630 571826076 /nfs/dbraw/zinc/82/60/76/571826076.db2.gz VSHRWJFBAGYZPG-SVBPBHIXSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Br ZINC000225454723 571826155 /nfs/dbraw/zinc/82/61/55/571826155.db2.gz WUTLOWQPFCBZGC-SXOMAYOGSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225454878 571826815 /nfs/dbraw/zinc/82/68/15/571826815.db2.gz ICUFTRKJZNBVRV-SXOMAYOGSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225455726 571827180 /nfs/dbraw/zinc/82/71/80/571827180.db2.gz VUJMLVZQJQSBGB-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225456908 571828650 /nfs/dbraw/zinc/82/86/50/571828650.db2.gz JXPMNRJFODYGAW-FQLXRVMXSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225457442 571829086 /nfs/dbraw/zinc/82/90/86/571829086.db2.gz RQVCQKVTSDQQCG-URLMMPGGSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225457850 571829595 /nfs/dbraw/zinc/82/95/95/571829595.db2.gz BNFQILAUPOFFML-NSOVKSMOSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225457663 571829597 /nfs/dbraw/zinc/82/95/97/571829597.db2.gz PYQSPIQSODJCKD-DGPALRBDSA-N 0 0 573.788 6.271 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000260909967 571836409 /nfs/dbraw/zinc/83/64/09/571836409.db2.gz BFLBQNPYUAUWAY-HBFWWTAJSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)n1-c1ccccc1 ZINC000225468027 571839197 /nfs/dbraw/zinc/83/91/97/571839197.db2.gz VPFIAJWWZDQVLR-FTJBHMTQSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260911910 571840781 /nfs/dbraw/zinc/84/07/81/571840781.db2.gz DHLBLBRDANVQAI-KAYWLYCHSA-N 0 0 503.115 7.161 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21 ZINC000260914361 571844395 /nfs/dbraw/zinc/84/43/95/571844395.db2.gz GKAONXQAADHXEL-UIOOFZCWSA-N 0 0 519.070 6.273 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260914671 571844693 /nfs/dbraw/zinc/84/46/93/571844693.db2.gz GYEBIIPVDRBVES-URLMMPGGSA-N 0 0 560.167 6.380 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NS(C)(=O)=O ZINC000225475999 571846044 /nfs/dbraw/zinc/84/60/44/571846044.db2.gz AKDGOTFRWSOPQY-KAYWLYCHSA-N 0 0 598.150 5.405 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000260916415 571848470 /nfs/dbraw/zinc/84/84/70/571848470.db2.gz IUKPIKVTZYFSDC-BAGWDXEUSA-N 0 0 649.102 8.564 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)cc21 ZINC000260916440 571848637 /nfs/dbraw/zinc/84/86/37/571848637.db2.gz IZCVDTQCHLZRSX-FTJBHMTQSA-N 0 0 526.150 5.062 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NS(C)(=O)=O ZINC000225478987 571849040 /nfs/dbraw/zinc/84/90/40/571849040.db2.gz AGAVMSARTKQLHK-KAYWLYCHSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NS(C)(=O)=O ZINC000225480080 571850538 /nfs/dbraw/zinc/85/05/38/571850538.db2.gz PXSAYYACWBEFRP-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480269 571850574 /nfs/dbraw/zinc/85/05/74/571850574.db2.gz UNWVDXGBZWTDFM-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21 ZINC000260917904 571851038 /nfs/dbraw/zinc/85/10/38/571851038.db2.gz JVVQVHITVZZDRS-LOSJGSFVSA-N 0 0 525.505 6.903 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NS(C)(=O)=O ZINC000225480909 571851265 /nfs/dbraw/zinc/85/12/65/571851265.db2.gz ZATDXNXITKEFNI-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481108 571851704 /nfs/dbraw/zinc/85/17/04/571851704.db2.gz CVAKFCNPKGDOKI-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225481464 571852103 /nfs/dbraw/zinc/85/21/03/571852103.db2.gz NIOAVDBXIOKFDZ-VSGBNLITSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482105 571852541 /nfs/dbraw/zinc/85/25/41/571852541.db2.gz DTIUMPALDFIDPV-WDYNHAJCSA-N 0 0 590.775 5.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000260919507 571853183 /nfs/dbraw/zinc/85/31/83/571853183.db2.gz LVCYGEKLCRNXNB-LSXMBOLASA-N 0 0 598.260 8.419 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NS(C)(=O)=O ZINC000225482785 571853534 /nfs/dbraw/zinc/85/35/34/571853534.db2.gz QWEWETRRFBASCD-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482623 571853638 /nfs/dbraw/zinc/85/36/38/571853638.db2.gz IANCWMBVDAAYKJ-KAYWLYCHSA-N 0 0 616.596 6.353 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225484499 571855385 /nfs/dbraw/zinc/85/53/85/571855385.db2.gz NHXQNUMZSNQJML-PQHLKRTFSA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1Br ZINC000260921250 571856941 /nfs/dbraw/zinc/85/69/41/571856941.db2.gz PADIZXVDRCWAAN-CLJLJLNGSA-N 0 0 567.984 7.615 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260922622 571859688 /nfs/dbraw/zinc/85/96/88/571859688.db2.gz QNOQBPXVJLHJOI-ZVUFWCIGSA-N 0 0 645.229 7.719 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 ZINC000260924217 571862299 /nfs/dbraw/zinc/86/22/99/571862299.db2.gz SEZHOYUJKJCKBY-FQLPYIGMSA-N 0 0 503.716 5.487 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21 ZINC000225498208 571867778 /nfs/dbraw/zinc/86/77/78/571867778.db2.gz WEEZSWKSEHWYJH-KAYWLYCHSA-N 0 0 532.113 5.978 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000260927092 571868131 /nfs/dbraw/zinc/86/81/31/571868131.db2.gz YCSWMEASNRMIPW-AGILITTLSA-N 0 0 511.489 5.403 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927075 571868141 /nfs/dbraw/zinc/86/81/41/571868141.db2.gz YBXRWHFILGLTIN-PRGAFZJDSA-N 0 0 641.329 8.648 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927103 571868625 /nfs/dbraw/zinc/86/86/25/571868625.db2.gz YDGOORLZDKRUAH-SNRDUXDUSA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260927128 571868641 /nfs/dbraw/zinc/86/86/41/571868641.db2.gz YFMZJLXKJZGVNP-JSOSNVBQSA-N 0 0 606.667 8.434 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000260927176 571868681 /nfs/dbraw/zinc/86/86/81/571868681.db2.gz YSDYQDGQUZAJJI-HBFWWTAJSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000260927617 571869783 /nfs/dbraw/zinc/86/97/83/571869783.db2.gz ZEYXAAJQEFTUQO-HBFWWTAJSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)(C)C ZINC000260927629 571869906 /nfs/dbraw/zinc/86/99/06/571869906.db2.gz ZGJMTZJZUGBMFQ-URLMMPGGSA-N 0 0 569.775 6.884 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225504818 571875212 /nfs/dbraw/zinc/87/52/12/571875212.db2.gz RVKIAIMBRNQDAX-RRPNLBNLSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225505308 571875499 /nfs/dbraw/zinc/87/54/99/571875499.db2.gz MKQAOOGIXLJCSH-SVBPBHIXSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225507320 571878119 /nfs/dbraw/zinc/87/81/19/571878119.db2.gz XUZCGHHFAGKWJK-WDYNHAJCSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225507132 571878160 /nfs/dbraw/zinc/87/81/60/571878160.db2.gz ZUOJYMZHFUCCGN-KAYWLYCHSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225507467 571878557 /nfs/dbraw/zinc/87/85/57/571878557.db2.gz BGMKTZNUQAZWLD-WDYNHAJCSA-N 0 0 509.679 5.717 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508418 571879593 /nfs/dbraw/zinc/87/95/93/571879593.db2.gz BYQOSUXODIOCCH-NSOVKSMOSA-N 0 0 556.648 5.017 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508997 571880557 /nfs/dbraw/zinc/88/05/57/571880557.db2.gz PRTDJRFMUGQHSJ-NSOVKSMOSA-N 0 0 546.096 5.762 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225528241 571895099 /nfs/dbraw/zinc/89/50/99/571895099.db2.gz UYSOQYBCTXPRHB-IHLOFXLRSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225528778 571895479 /nfs/dbraw/zinc/89/54/79/571895479.db2.gz ZQIYOQWCLNKZBX-VSGBNLITSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225529253 571896094 /nfs/dbraw/zinc/89/60/94/571896094.db2.gz TYUDALMSSFSFOC-VSGBNLITSA-N 0 0 574.548 6.253 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225529514 571896503 /nfs/dbraw/zinc/89/65/03/571896503.db2.gz JAHJDOOMPRMQJL-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000225529486 571896538 /nfs/dbraw/zinc/89/65/38/571896538.db2.gz GADQMCIJWAFRRT-NSOVKSMOSA-N 0 0 511.651 5.196 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530110 571896883 /nfs/dbraw/zinc/89/68/83/571896883.db2.gz SCMSIGMQUPWAHE-ROJLCIKYSA-N 0 0 566.775 6.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225530475 571897319 /nfs/dbraw/zinc/89/73/19/571897319.db2.gz LCTNZNPZZGLFMO-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225539579 571904994 /nfs/dbraw/zinc/90/49/94/571904994.db2.gz MSNYMSSTYUFCPQ-NSOVKSMOSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225539961 571905461 /nfs/dbraw/zinc/90/54/61/571905461.db2.gz QLCYMVYNPDYGQJ-WDYNHAJCSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000225543988 571908660 /nfs/dbraw/zinc/90/86/60/571908660.db2.gz NNCSMTUQJRXIID-FQLXRVMXSA-N 0 0 524.694 5.448 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000225550453 571913241 /nfs/dbraw/zinc/91/32/41/571913241.db2.gz SIUCWLGJXCNRMX-CONSDPRKSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225551400 571914119 /nfs/dbraw/zinc/91/41/19/571914119.db2.gz MWDXYGIAPSAXRK-IHLOFXLRSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225551816 571915108 /nfs/dbraw/zinc/91/51/08/571915108.db2.gz NJZJWTJNCPFJHT-AJQTZOPKSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225552309 571915319 /nfs/dbraw/zinc/91/53/19/571915319.db2.gz WABLYUXOODXJMR-WEZIJMHWSA-N 0 0 565.787 6.978 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225553615 571916237 /nfs/dbraw/zinc/91/62/37/571916237.db2.gz OJTIQZYZWRLHPA-IHLOFXLRSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000225561340 571923131 /nfs/dbraw/zinc/92/31/31/571923131.db2.gz OLKVJVFIIMVTTL-FQLXRVMXSA-N 0 0 509.679 5.744 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000225561954 571923943 /nfs/dbraw/zinc/92/39/43/571923943.db2.gz IJRFUQPVLYLCFK-FIRIVFDPSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225567594 571929624 /nfs/dbraw/zinc/92/96/24/571929624.db2.gz YDJJQUMUAJTMFL-VMPREFPWSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000225569539 571931284 /nfs/dbraw/zinc/93/12/84/571931284.db2.gz VQRHAHXYUNBUOT-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225570564 571932275 /nfs/dbraw/zinc/93/22/75/571932275.db2.gz IAOHXXFESAMOOM-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225570970 571932373 /nfs/dbraw/zinc/93/23/73/571932373.db2.gz ZURSIRDBKILKAA-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225571266 571932712 /nfs/dbraw/zinc/93/27/12/571932712.db2.gz BUBWDGQQCRQEHV-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225571323 571932817 /nfs/dbraw/zinc/93/28/17/571932817.db2.gz BUBWDGQQCRQEHV-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225573111 571933885 /nfs/dbraw/zinc/93/38/85/571933885.db2.gz PTVDVXONPGHYKK-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225573832 571934258 /nfs/dbraw/zinc/93/42/58/571934258.db2.gz PXAPPHFHBWCDKB-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225573732 571934414 /nfs/dbraw/zinc/93/44/14/571934414.db2.gz PIWLNYYZAZPXCO-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225574181 571934646 /nfs/dbraw/zinc/93/46/46/571934646.db2.gz VKZRFHITIIIXNB-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225574048 571934679 /nfs/dbraw/zinc/93/46/79/571934679.db2.gz FERRFALKVFBRQI-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574440 571935173 /nfs/dbraw/zinc/93/51/73/571935173.db2.gz LZTHPAVUECOSRC-KYJUHHDHSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000225590253 571946676 /nfs/dbraw/zinc/94/66/76/571946676.db2.gz CGSZBEUCLRTEQU-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000225590889 571946973 /nfs/dbraw/zinc/94/69/73/571946973.db2.gz JJSRMSXKHHMGDD-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000225590854 571947085 /nfs/dbraw/zinc/94/70/85/571947085.db2.gz JJSRMSXKHHMGDD-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225590576 571947149 /nfs/dbraw/zinc/94/71/49/571947149.db2.gz MJBICSNVHJJENA-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225591555 571947785 /nfs/dbraw/zinc/94/77/85/571947785.db2.gz IDXMLSTXVSLABT-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1O ZINC000225592048 571948136 /nfs/dbraw/zinc/94/81/36/571948136.db2.gz HSPZHYAXIVFANO-VSGBNLITSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225593765 571949286 /nfs/dbraw/zinc/94/92/86/571949286.db2.gz FPWWWONUEVNYLA-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cccc1C ZINC000225593873 571949498 /nfs/dbraw/zinc/94/94/98/571949498.db2.gz CZSMPFPVTLCUQX-DGPALRBDSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cccc1C ZINC000225593905 571949631 /nfs/dbraw/zinc/94/96/31/571949631.db2.gz CZSMPFPVTLCUQX-MFMCTBQISA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225602944 571956732 /nfs/dbraw/zinc/95/67/32/571956732.db2.gz VTYAQUSPGYKBOB-VSGBNLITSA-N 0 0 529.641 5.330 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225602975 571956743 /nfs/dbraw/zinc/95/67/43/571956743.db2.gz VTYAQUSPGYKBOB-IZLXSDGUSA-N 0 0 529.641 5.330 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225603337 571957105 /nfs/dbraw/zinc/95/71/05/571957105.db2.gz QBMAVCZJAGVGCO-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225606030 571958868 /nfs/dbraw/zinc/95/88/68/571958868.db2.gz AOGKYWAHSQBDBP-NSOVKSMOSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225606100 571958987 /nfs/dbraw/zinc/95/89/87/571958987.db2.gz SCBAGXVSDLXYTN-ZWXJPIIXSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc2ccccc21 ZINC000225610373 571962540 /nfs/dbraw/zinc/96/25/40/571962540.db2.gz PJQIALNIHGZDKL-ZWXJPIIXSA-N 0 0 563.702 6.783 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225611374 571963300 /nfs/dbraw/zinc/96/33/00/571963300.db2.gz QSHZXMRAXLRREE-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225611350 571963322 /nfs/dbraw/zinc/96/33/22/571963322.db2.gz QSHZXMRAXLRREE-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1 ZINC000225611967 571963740 /nfs/dbraw/zinc/96/37/40/571963740.db2.gz MLAZZUAOTCUCDK-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Br ZINC000225612170 571964273 /nfs/dbraw/zinc/96/42/73/571964273.db2.gz OBKVRYBFNYGUDG-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000225612371 571964294 /nfs/dbraw/zinc/96/42/94/571964294.db2.gz FMQPUHHXCNBTHK-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225613752 571965256 /nfs/dbraw/zinc/96/52/56/571965256.db2.gz DEYXQRIBODCBCK-IZLXSDGUSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1C ZINC000225614654 571965566 /nfs/dbraw/zinc/96/55/66/571965566.db2.gz VZKCHVLNJOHFGH-FQLXRVMXSA-N 0 0 562.114 6.591 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225614455 571965623 /nfs/dbraw/zinc/96/56/23/571965623.db2.gz CTPUOGXLQPVSNY-URLMMPGGSA-N 0 0 557.651 5.358 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225614779 571965902 /nfs/dbraw/zinc/96/59/02/571965902.db2.gz OVIQDICQLXOJLN-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615544 571966298 /nfs/dbraw/zinc/96/62/98/571966298.db2.gz MNSVOLILGFSZCC-VEEOACQBSA-N 0 0 555.723 6.500 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615388 571966314 /nfs/dbraw/zinc/96/63/14/571966314.db2.gz ZPDLMQLAFLJEDI-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cn1 ZINC000225615922 571966608 /nfs/dbraw/zinc/96/66/08/571966608.db2.gz ZCRRGQSXXATMCB-IZLXSDGUSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225624511 571975759 /nfs/dbraw/zinc/97/57/59/571975759.db2.gz IHMDLEOVBNOKFO-XZWHSSHBSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225624566 571976141 /nfs/dbraw/zinc/97/61/41/571976141.db2.gz WMCKKEAQPMLRGX-KKLWWLSJSA-N 0 0 608.812 5.944 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccn1 ZINC000225625739 571977340 /nfs/dbraw/zinc/97/73/40/571977340.db2.gz FLJXMMUJRQVKRB-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225626768 571978828 /nfs/dbraw/zinc/97/88/28/571978828.db2.gz BRWQDVIYSSTTBP-XZWHSSHBSA-N 0 0 574.150 6.466 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225628464 571980569 /nfs/dbraw/zinc/98/05/69/571980569.db2.gz AQHQVNHBACOADQ-HEVIKAOCSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225629199 571980861 /nfs/dbraw/zinc/98/08/61/571980861.db2.gz IJMDDKMCCZAKSZ-XZWHSSHBSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225629178 571980992 /nfs/dbraw/zinc/98/09/92/571980992.db2.gz IJMDDKMCCZAKSZ-IHLOFXLRSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225630007 571981829 /nfs/dbraw/zinc/98/18/29/571981829.db2.gz RUJDFQGIEXLUFN-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(F)c1 ZINC000225629659 571982014 /nfs/dbraw/zinc/98/20/14/571982014.db2.gz NMNQNWUFHXCYAU-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225630232 571982292 /nfs/dbraw/zinc/98/22/92/571982292.db2.gz OVMMNILQXJFNGH-IHLOFXLRSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Br ZINC000225630162 571982408 /nfs/dbraw/zinc/98/24/08/571982408.db2.gz OFHPNQZCVYJCPD-XZWHSSHBSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225631222 571983236 /nfs/dbraw/zinc/98/32/36/571983236.db2.gz MGZSSKPMFINIFX-ZWXJPIIXSA-N 0 0 566.775 6.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1C ZINC000225631695 571983680 /nfs/dbraw/zinc/98/36/80/571983680.db2.gz RTHDUDAVFPTPSX-ACHIHNKUSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225632058 571984106 /nfs/dbraw/zinc/98/41/06/571984106.db2.gz OOUPGLHAJRMKCE-FIRIVFDPSA-N 0 0 567.715 5.836 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225631939 571984243 /nfs/dbraw/zinc/98/42/43/571984243.db2.gz SPVOBWJCDAFCBW-ROJLCIKYSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cccc1C ZINC000225631907 571984247 /nfs/dbraw/zinc/98/42/47/571984247.db2.gz VWXVQSQLGNVBPK-CDZUIXILSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225632314 571984650 /nfs/dbraw/zinc/98/46/50/571984650.db2.gz YROHZDSYLWOIFF-JSOSNVBQSA-N 0 0 572.178 7.069 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632832 571984908 /nfs/dbraw/zinc/98/49/08/571984908.db2.gz RJZNYAKTSXWRJY-FIRIVFDPSA-N 0 0 588.177 6.769 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000225639122 571990503 /nfs/dbraw/zinc/99/05/03/571990503.db2.gz CZHZEQAHTVDJPZ-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225639341 571990844 /nfs/dbraw/zinc/99/08/44/571990844.db2.gz OKJKKKXVYSJOSH-CONSDPRKSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000225642298 571992528 /nfs/dbraw/zinc/99/25/28/571992528.db2.gz IRIOTUDQAFZJCY-WDYNHAJCSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225644423 571993569 /nfs/dbraw/zinc/99/35/69/571993569.db2.gz BRABNLITQIZKGL-FQLXRVMXSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000225646445 571995119 /nfs/dbraw/zinc/99/51/19/571995119.db2.gz KJCHXVIWWOEKSK-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225647053 571995955 /nfs/dbraw/zinc/99/59/55/571995955.db2.gz DOYPPJMZPZAOCF-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225648224 571997040 /nfs/dbraw/zinc/99/70/40/571997040.db2.gz MKBMYTVYQHMEJU-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649009 571997783 /nfs/dbraw/zinc/99/77/83/571997783.db2.gz UOYFRZUUWDZKPN-SAIUNTKASA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225649397 571998075 /nfs/dbraw/zinc/99/80/75/571998075.db2.gz CNHCNLCOFKQZNH-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225650335 571998951 /nfs/dbraw/zinc/99/89/51/571998951.db2.gz FDCXFXGOEWZTDF-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225651109 571999207 /nfs/dbraw/zinc/99/92/07/571999207.db2.gz NFZIEBVFNDUXMD-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650706 571999266 /nfs/dbraw/zinc/99/92/66/571999266.db2.gz GIQDKRDPHPQADS-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ncccc1C ZINC000225651012 571999325 /nfs/dbraw/zinc/99/93/25/571999325.db2.gz KFZADVMPGMWAHS-IZLXSDGUSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225657873 572004355 /nfs/dbraw/zinc/00/43/55/572004355.db2.gz KIVCLUFHRMYMFN-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225657747 572004452 /nfs/dbraw/zinc/00/44/52/572004452.db2.gz BCRDSYDMAKKWEV-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225665668 572009061 /nfs/dbraw/zinc/00/90/61/572009061.db2.gz FDWIHGIMRGBQRG-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225666397 572009309 /nfs/dbraw/zinc/00/93/09/572009309.db2.gz GEBGVPIHOYPGGA-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225667010 572009356 /nfs/dbraw/zinc/00/93/56/572009356.db2.gz YRXYSNUMLHDHOG-WDYNHAJCSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225669153 572010815 /nfs/dbraw/zinc/01/08/15/572010815.db2.gz ZITFNPYQDUTKBS-CONSDPRKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225668770 572010830 /nfs/dbraw/zinc/01/08/30/572010830.db2.gz YPIABXYZLMLAJT-CONSDPRKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225669541 572011151 /nfs/dbraw/zinc/01/11/51/572011151.db2.gz LQHNXZIEGVCWGF-KYJUHHDHSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225670169 572011532 /nfs/dbraw/zinc/01/15/32/572011532.db2.gz XWHKDAYMCPLXFX-IHLOFXLRSA-N 0 0 590.149 6.161 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000225677499 572016788 /nfs/dbraw/zinc/01/67/88/572016788.db2.gz CPXLMFDHWTYFTC-NSOVKSMOSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225678072 572017125 /nfs/dbraw/zinc/01/71/25/572017125.db2.gz LVTDDLJFWDTLLH-LOYHVIPDSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225680361 572018708 /nfs/dbraw/zinc/01/87/08/572018708.db2.gz ZOSPGLPLPFBYPS-SAIUNTKASA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225684776 572021161 /nfs/dbraw/zinc/02/11/61/572021161.db2.gz DTIVIIPTCIXVJF-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225685360 572021523 /nfs/dbraw/zinc/02/15/23/572021523.db2.gz OQHHWWJTKIUNEG-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C ZINC000225685231 572021628 /nfs/dbraw/zinc/02/16/28/572021628.db2.gz NYAMJAJDNNHLEL-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1F ZINC000225685827 572022526 /nfs/dbraw/zinc/02/25/26/572022526.db2.gz WLOJBSRSSHADLW-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(F)c1 ZINC000225685908 572022566 /nfs/dbraw/zinc/02/25/66/572022566.db2.gz CBMJHJVLBSUPPV-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225686154 572022813 /nfs/dbraw/zinc/02/28/13/572022813.db2.gz CQCWWIUTDWPXMN-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225686476 572022883 /nfs/dbraw/zinc/02/28/83/572022883.db2.gz SGPSCILORVREGM-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225686774 572023158 /nfs/dbraw/zinc/02/31/58/572023158.db2.gz KLYKMLBQRXPBAK-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225686668 572023186 /nfs/dbraw/zinc/02/31/86/572023186.db2.gz IETLVVCGIZOHHX-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225687207 572023527 /nfs/dbraw/zinc/02/35/27/572023527.db2.gz BUINOWHHAYBONM-FIRIVFDPSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225687434 572023632 /nfs/dbraw/zinc/02/36/32/572023632.db2.gz OJUCWHSHNMXCRD-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1C ZINC000225687660 572024048 /nfs/dbraw/zinc/02/40/48/572024048.db2.gz HUXGUKXMVWLJKT-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225688335 572024382 /nfs/dbraw/zinc/02/43/82/572024382.db2.gz QGFBANKMFCJBSB-CDZUIXILSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688588 572024410 /nfs/dbraw/zinc/02/44/10/572024410.db2.gz KDDCRDUNWCXYSY-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689252 572024751 /nfs/dbraw/zinc/02/47/51/572024751.db2.gz VDRPUFMMMKTIIA-CDZUIXILSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689013 572024765 /nfs/dbraw/zinc/02/47/65/572024765.db2.gz CBGMOCZFWJWYBR-XZWHSSHBSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225688827 572024888 /nfs/dbraw/zinc/02/48/88/572024888.db2.gz NPJOFLXILAGOBO-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225689530 572025347 /nfs/dbraw/zinc/02/53/47/572025347.db2.gz QMMLOOQJGQLXAZ-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ncccc1C ZINC000225689456 572025355 /nfs/dbraw/zinc/02/53/55/572025355.db2.gz RARPUXUEKMOWKY-WUFINQPMSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)cc1 ZINC000225696481 572028669 /nfs/dbraw/zinc/02/86/69/572028669.db2.gz JCRHPHIELWACRW-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225699064 572030204 /nfs/dbraw/zinc/03/02/04/572030204.db2.gz AIMXAWITSVARSF-ROJLCIKYSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225699144 572030743 /nfs/dbraw/zinc/03/07/43/572030743.db2.gz AIMXAWITSVARSF-ACHIHNKUSA-N 0 0 613.709 7.662 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225704544 572035227 /nfs/dbraw/zinc/03/52/27/572035227.db2.gz CSCAOXWRFSQXOC-HEVIKAOCSA-N 0 0 573.766 7.206 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225704491 572035308 /nfs/dbraw/zinc/03/53/08/572035308.db2.gz CSCAOXWRFSQXOC-NOCHOARKSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Cl ZINC000225705074 572035611 /nfs/dbraw/zinc/03/56/11/572035611.db2.gz XGWGNHMDWHXQMO-AJQTZOPKSA-N 0 0 580.157 7.297 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706728 572037195 /nfs/dbraw/zinc/03/71/95/572037195.db2.gz IFBOAFPXHNVKDB-ZPGRZCPFSA-N 0 0 616.835 7.490 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000225706798 572037230 /nfs/dbraw/zinc/03/72/30/572037230.db2.gz XZKFGPFARPHANT-ZWXJPIIXSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccc1C ZINC000225707103 572037468 /nfs/dbraw/zinc/03/74/68/572037468.db2.gz IKRLNZWXJNSCCK-KKLWWLSJSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225707833 572038107 /nfs/dbraw/zinc/03/81/07/572038107.db2.gz ABVQIVBZSPEYMI-SAIUNTKASA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cn1 ZINC000225708829 572038896 /nfs/dbraw/zinc/03/88/96/572038896.db2.gz GVLHPWTZSAMFSU-ROJLCIKYSA-N 0 0 560.727 6.347 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225715682 572044088 /nfs/dbraw/zinc/04/40/88/572044088.db2.gz ABIGLYFTDOJLNZ-LQJZCPKCSA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225750415 572060879 /nfs/dbraw/zinc/06/08/79/572060879.db2.gz KMBMVTIDRCAWID-RTWAWAEBSA-N 0 0 521.708 5.387 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225750143 572060885 /nfs/dbraw/zinc/06/08/85/572060885.db2.gz IGSNBGSNCHRZBR-OAQYLSRUSA-N 0 0 521.708 5.387 40 10 KKCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2)C1 ZINC000225793080 572069631 /nfs/dbraw/zinc/06/96/31/572069631.db2.gz PYAWDGAUUJTZBM-IBGZPJMESA-N 0 0 542.126 5.480 40 10 KKCBRN C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954215 572086938 /nfs/dbraw/zinc/08/69/38/572086938.db2.gz VEESYYSYBSJYMB-UIOOFZCWSA-N 0 0 584.838 5.372 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 ZINC000225954492 572087048 /nfs/dbraw/zinc/08/70/48/572087048.db2.gz GEJIMWVRLRWJDE-UHFFFAOYSA-N 0 0 540.722 5.025 40 10 KKCBRN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000263597893 572128107 /nfs/dbraw/zinc/12/81/07/572128107.db2.gz HHBUXHGNFGUEFR-UELJENKASA-N 0 0 816.945 6.044 40 10 KKCBRN C[C@H](O)[C@H](C)N1CN(c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)C=N1 ZINC000299754595 572134282 /nfs/dbraw/zinc/13/42/82/572134282.db2.gz ZJRSLIGFTARJPC-OSOMUNJPSA-N 0 0 707.663 5.051 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccc(Br)cc1C ZINC000408526333 572157764 /nfs/dbraw/zinc/15/77/64/572157764.db2.gz AZULCYCDNVRYRG-YBEGLDIGSA-N 0 0 506.198 5.257 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000408532908 572181456 /nfs/dbraw/zinc/18/14/56/572181456.db2.gz WTSVKFPERJBLDC-NSIKDUERSA-N 0 0 503.212 5.419 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C ZINC000408533848 572184814 /nfs/dbraw/zinc/18/48/14/572184814.db2.gz PIDQVTYEKYQZMU-VQNDASPWSA-N 0 0 559.798 8.649 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000408535085 572187769 /nfs/dbraw/zinc/18/77/69/572187769.db2.gz UNQRBXPYNFLVAM-HMAPJEAMSA-N 0 0 511.093 6.654 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000408537016 572193252 /nfs/dbraw/zinc/19/32/52/572193252.db2.gz BUZLYRNYDPQHRS-QXPFVDMISA-N 0 0 590.768 8.249 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408537087 572193458 /nfs/dbraw/zinc/19/34/58/572193458.db2.gz ZCCRHILTFYCBBO-XYGWBWBKSA-N 0 0 518.499 7.252 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537220 572193780 /nfs/dbraw/zinc/19/37/80/572193780.db2.gz DEEMOSUMIQDNDO-UHFFFAOYSA-N 0 0 689.164 8.489 40 10 KKCBRN CCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408538937 572199870 /nfs/dbraw/zinc/19/98/70/572199870.db2.gz RSLXITTXENQNRG-UHFFFAOYSA-N 0 0 512.606 6.628 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539260 572201400 /nfs/dbraw/zinc/20/14/00/572201400.db2.gz GJRMKTWGTBJAIE-JVWAILMASA-N 0 0 625.541 6.511 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539476 572202508 /nfs/dbraw/zinc/20/25/08/572202508.db2.gz HYJBHQHDZBGRFJ-CVKSISIWSA-N 0 0 567.063 6.012 40 10 KKCBRN O=C(COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550124 572233365 /nfs/dbraw/zinc/23/33/65/572233365.db2.gz BSQCSCRNXIWCIY-UHFFFAOYSA-N 0 0 744.223 8.119 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550049 572233404 /nfs/dbraw/zinc/23/34/04/572233404.db2.gz AXYGMLBUOYHCQW-UHFFFAOYSA-N 0 0 742.353 7.208 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550091 572233545 /nfs/dbraw/zinc/23/35/45/572233545.db2.gz BIRRRGCGUSMIAZ-BKUYFWCQSA-N 0 0 524.404 6.216 40 10 KKCBRN O=C(COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552072 572237754 /nfs/dbraw/zinc/23/77/54/572237754.db2.gz GZVRZZWJZIBEBO-UQQQWYQISA-N 0 0 542.422 6.845 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)cc1 ZINC000408571297 572256938 /nfs/dbraw/zinc/25/69/38/572256938.db2.gz AYLUJFGPMIMNGQ-IWIPYMOSSA-N 0 0 597.556 6.888 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000408572072 572257583 /nfs/dbraw/zinc/25/75/83/572257583.db2.gz FCUSKQCBTHDACV-QFEZKATASA-N 0 0 603.549 7.214 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000408572193 572257684 /nfs/dbraw/zinc/25/76/84/572257684.db2.gz FOKHVJCLRDDIDD-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)SC2=S)cc1 ZINC000408572345 572257763 /nfs/dbraw/zinc/25/77/63/572257763.db2.gz GIXICUUBQRPTHC-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408572428 572257833 /nfs/dbraw/zinc/25/78/33/572257833.db2.gz GYWHATMTTYWVSJ-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000250364590 572258966 /nfs/dbraw/zinc/25/89/66/572258966.db2.gz WUEXTJYZHNSMCL-LVOIVKMSSA-N 0 0 646.257 6.448 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000408574374 572259625 /nfs/dbraw/zinc/25/96/25/572259625.db2.gz MCDPXFUOEGYCBY-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)SC2=S)cc1 ZINC000408574808 572259957 /nfs/dbraw/zinc/25/99/57/572259957.db2.gz MUKIKEKUYPIGBS-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OCC)c3)SC2=S)cc1 ZINC000408574820 572260009 /nfs/dbraw/zinc/26/00/09/572260009.db2.gz MWWSSMHFIQXMAV-MYYYXRDXSA-N 0 0 602.656 6.926 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3C)SC2=S)cc1 ZINC000408575445 572260523 /nfs/dbraw/zinc/26/05/23/572260523.db2.gz LITUIQIHOALESJ-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)ccc3C)SC2=S)cc1 ZINC000408576549 572261296 /nfs/dbraw/zinc/26/12/96/572261296.db2.gz WNJWOYMNXNVOMY-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408576774 572261397 /nfs/dbraw/zinc/26/13/97/572261397.db2.gz RCMOXIYDZSOUCR-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000408576747 572261400 /nfs/dbraw/zinc/26/14/00/572261400.db2.gz QWTUPOSSUYROFA-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000408577123 572261796 /nfs/dbraw/zinc/26/17/96/572261796.db2.gz RIDUFKNRWUPKMV-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000408577305 572261912 /nfs/dbraw/zinc/26/19/12/572261912.db2.gz SHRUKUYTDATDTQ-QQXSKIMKSA-N 0 0 532.687 6.121 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)SC2=S)cc1 ZINC000408577623 572262161 /nfs/dbraw/zinc/26/21/61/572262161.db2.gz UBOUQNUYYIJUJZ-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)ccc3C)SC2=S)cc1 ZINC000408578120 572262743 /nfs/dbraw/zinc/26/27/43/572262743.db2.gz VSSXVNJIOPRJCY-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000408578373 572262957 /nfs/dbraw/zinc/26/29/57/572262957.db2.gz XUYVLUCPODTKKC-ONUIUJJFSA-N 0 0 532.687 6.067 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000408578415 572263025 /nfs/dbraw/zinc/26/30/25/572263025.db2.gz YGGHIQOTFARVCE-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000408578538 572263140 /nfs/dbraw/zinc/26/31/40/572263140.db2.gz YMVSNYVOAQULDM-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408651015 572302940 /nfs/dbraw/zinc/30/29/40/572302940.db2.gz GESDZZMFNVWVAS-CRLAGQQASA-N 0 0 619.504 7.164 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(C(c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc21 ZINC000256055372 572305186 /nfs/dbraw/zinc/30/51/86/572305186.db2.gz DSNYGKRELNJSIA-GMQQYTKMSA-N 0 0 577.901 10.033 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(C(c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc21 ZINC000256055373 572305231 /nfs/dbraw/zinc/30/52/31/572305231.db2.gz DSNYGKRELNJSIA-PFBJBMPXSA-N 0 0 577.901 10.033 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408666665 572312190 /nfs/dbraw/zinc/31/21/90/572312190.db2.gz ONIWHMKNEODBCN-UHFFFAOYSA-N 0 0 532.596 7.076 40 10 KKCBRN CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408670267 572314599 /nfs/dbraw/zinc/31/45/99/572314599.db2.gz ZCMCBMAWUZLSAD-UHFFFAOYSA-N 0 0 524.573 6.125 40 10 KKCBRN CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc1OC2(C)C ZINC000257326745 572318523 /nfs/dbraw/zinc/31/85/23/572318523.db2.gz WYLJYDZTBGCFGP-JUMFHWHPSA-N 0 0 543.104 5.576 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Oc4cccc5ccccc54)cc3)C(=O)[C@H]2C1 ZINC000408677825 572319371 /nfs/dbraw/zinc/31/93/71/572319371.db2.gz FFCWVVIZUTXKST-VPUSJEBWSA-N 0 0 502.570 6.730 40 10 KKCBRN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000102392345 1069701806 /nfs/dbraw/zinc/70/18/06/1069701806.db2.gz NWSHZLXMHKAQAK-TWKHWXDSSA-N 0 0 566.686 8.172 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000102681256 1069706026 /nfs/dbraw/zinc/70/60/26/1069706026.db2.gz OWYFHANXQMEIBN-RXULLKCLSA-N 0 0 526.083 5.972 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1Cl ZINC000102681249 1069706098 /nfs/dbraw/zinc/70/60/98/1069706098.db2.gz CPWWXMOMJRCZDX-PXLXIMEGSA-N 0 0 514.072 5.829 40 10 KKCBRN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000102993467 1069707776 /nfs/dbraw/zinc/70/77/76/1069707776.db2.gz WZYOLQJKVHXDGO-HAVVHWLPSA-N 0 0 527.671 6.186 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000103782638 1069712434 /nfs/dbraw/zinc/71/24/34/1069712434.db2.gz SVFXZYTVFFECJX-HRCDMBJSSA-N 0 0 562.366 7.763 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(I)cc(I)c1OC(C)C ZINC000108422689 1069716769 /nfs/dbraw/zinc/71/67/69/1069716769.db2.gz GXISTPWQMVFDDG-YVLHZVERSA-N 0 0 572.184 5.489 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739573 1069728233 /nfs/dbraw/zinc/72/82/33/1069728233.db2.gz XVTRXBSMQMXPQL-UTAOYMJKSA-N 0 0 591.733 5.758 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408726282 1069736290 /nfs/dbraw/zinc/73/62/90/1069736290.db2.gz KZAMGZJHKWIAKA-PDGQHHTCSA-N 0 0 539.416 5.130 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738072 1069737190 /nfs/dbraw/zinc/73/71/90/1069737190.db2.gz IRPMFJYVUVABRS-WWWKDLBZSA-N 0 0 585.726 5.003 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408872033 1069748148 /nfs/dbraw/zinc/74/81/48/1069748148.db2.gz JHPSAVXBUPSOED-NDENLUEZSA-N 0 0 511.430 5.814 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408871460 1069748127 /nfs/dbraw/zinc/74/81/27/1069748127.db2.gz ZEFOBKJIICPNIO-UHFFFAOYSA-N 0 0 571.471 6.927 40 10 KKCBRN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408758487 1069851099 /nfs/dbraw/zinc/85/10/99/1069851099.db2.gz KWFIKRBMLYYYMW-HYARGMPZSA-N 0 0 522.468 5.559 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408768442 1069873115 /nfs/dbraw/zinc/87/31/15/1069873115.db2.gz JDZRDVGMKHKMPI-GJKZIJEQSA-N 0 0 513.666 5.726 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccccc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408770265 1069878858 /nfs/dbraw/zinc/87/88/58/1069878858.db2.gz VKAHSMNYVJGANR-FATJQOLTSA-N 0 0 543.692 5.735 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)c1 ZINC000408772921 1069885727 /nfs/dbraw/zinc/88/57/27/1069885727.db2.gz NGNCOKQGZWBGPI-DEDRDRDXSA-N 0 0 574.706 5.290 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)S2)cc1 ZINC000408776894 1069892748 /nfs/dbraw/zinc/89/27/48/1069892748.db2.gz RSSBHMHAIVPKJB-IMUCPKNRSA-N 0 0 544.120 7.489 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408778943 1069898984 /nfs/dbraw/zinc/89/89/84/1069898984.db2.gz ZWTFHCTYNOZNBX-UCQKPKSFSA-N 0 0 567.425 5.897 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408786410 1069921567 /nfs/dbraw/zinc/92/15/67/1069921567.db2.gz JMKCFHXQJYILFK-HMAPJEAMSA-N 0 0 537.399 5.888 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)S2)cc1 ZINC000408787403 1069924370 /nfs/dbraw/zinc/92/43/70/1069924370.db2.gz ZKBQXXWFTHNUAY-IMUCPKNRSA-N 0 0 544.120 7.489 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408788259 1069925121 /nfs/dbraw/zinc/92/51/21/1069925121.db2.gz DFFQKIOIZHBBMU-XKZIYDEJSA-N 0 0 529.851 7.322 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408801382 1069939429 /nfs/dbraw/zinc/93/94/29/1069939429.db2.gz AIXUAWKVWSQBLJ-AMEVRUNISA-N 0 0 519.134 8.110 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408819301 1069973955 /nfs/dbraw/zinc/97/39/55/1069973955.db2.gz PVOAPGDKMJKFFJ-UHFFFAOYSA-N 0 0 603.527 7.719 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408822410 1069982895 /nfs/dbraw/zinc/98/28/95/1069982895.db2.gz BKLNEUCUXXJKJG-IYVASWNSSA-N 0 0 671.988 5.772 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823164 1069986635 /nfs/dbraw/zinc/98/66/35/1069986635.db2.gz CZTYLRKEYGKAKB-UNDLXJOSSA-N 0 0 569.727 5.301 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408828316 1070009626 /nfs/dbraw/zinc/00/96/26/1070009626.db2.gz LPLPGLOPZCGNHK-WYEJZRMESA-N 0 0 545.304 8.478 40 10 KKCBRN COc1ccc(C)c2c1N[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408829003 1070015455 /nfs/dbraw/zinc/01/54/55/1070015455.db2.gz KEUHDYMNYOXTGU-GOHWNWGWSA-N 0 0 540.885 7.834 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408841069 1070043927 /nfs/dbraw/zinc/04/39/27/1070043927.db2.gz FJXRDKILIRHRQV-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408838017 1070047351 /nfs/dbraw/zinc/04/73/51/1070047351.db2.gz QMDRLDJHRZCGAF-UZEJHQAJSA-N 0 0 561.303 8.179 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000408842285 1070045666 /nfs/dbraw/zinc/04/56/66/1070045666.db2.gz JYTDGFSLZNYUML-DEDYPNTBSA-N 0 0 561.071 6.809 40 10 KKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000408844449 1070050401 /nfs/dbraw/zinc/05/04/01/1070050401.db2.gz SYZAPVNQISBPSX-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000408846736 1070054607 /nfs/dbraw/zinc/05/46/07/1070054607.db2.gz KTKXVWDQWNWFHP-TURZUDJPSA-N 0 0 503.602 6.603 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1Cl ZINC000408851837 1070058225 /nfs/dbraw/zinc/05/82/25/1070058225.db2.gz ANIOAFDTYDQIRA-FYJGNVAPSA-N 0 0 525.830 6.886 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408864901 1070081725 /nfs/dbraw/zinc/08/17/25/1070081725.db2.gz AXYNNQYUBBCLND-UHFFFAOYSA-N 0 0 555.005 7.052 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408865392 1070082943 /nfs/dbraw/zinc/08/29/43/1070082943.db2.gz CIMKCCLULCVQMN-UHFFFAOYSA-N 0 0 518.569 6.166 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000408866050 1070084688 /nfs/dbraw/zinc/08/46/88/1070084688.db2.gz FLANERFDRYOFAE-AFPJDJCSSA-N 0 0 598.430 7.103 40 10 KKCBRN O=C1C(=Cc2c(Cc3ccccc3Br)ccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408867079 1070086826 /nfs/dbraw/zinc/08/68/26/1070086826.db2.gz JRYBBQCMHGDGMI-UHFFFAOYSA-N 0 0 603.541 7.941 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000408867447 1070087356 /nfs/dbraw/zinc/08/73/56/1070087356.db2.gz KVBWUACQTKCNKH-NVMNQCDNSA-N 0 0 558.376 5.218 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408873906 1070099909 /nfs/dbraw/zinc/09/99/09/1070099909.db2.gz XACFXCDAXAGCIX-UHFFFAOYSA-N 0 0 641.587 7.792 40 10 KKCBRN Cc1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000408879359 1070103194 /nfs/dbraw/zinc/10/31/94/1070103194.db2.gz FMMPICIIKMBQJI-UHFFFAOYSA-N 0 0 581.466 7.228 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408880758 1070114280 /nfs/dbraw/zinc/11/42/80/1070114280.db2.gz KTSCQBZKJRRLPL-YDZHTSKRSA-N 0 0 518.997 5.909 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000408884241 1070118553 /nfs/dbraw/zinc/11/85/53/1070118553.db2.gz XKMMOWYXINXDDY-PCLIKHOPSA-N 0 0 615.502 5.187 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408885109 1070120171 /nfs/dbraw/zinc/12/01/71/1070120171.db2.gz XRISFROAVLLWGN-UHFFFAOYSA-N 0 0 680.951 7.281 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408881826 1070125167 /nfs/dbraw/zinc/12/51/67/1070125167.db2.gz MTEZSYWMEQENLL-WQRHYEAKSA-N 0 0 500.395 5.319 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408887741 1070138691 /nfs/dbraw/zinc/13/86/91/1070138691.db2.gz SVIGSCHIRURGCN-UHFFFAOYSA-N 0 0 615.455 7.149 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000408901186 1070166756 /nfs/dbraw/zinc/16/67/56/1070166756.db2.gz BRSRJVFWJPFJRT-HYARGMPZSA-N 0 0 508.359 5.985 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901824 1070169259 /nfs/dbraw/zinc/16/92/59/1070169259.db2.gz HMRYXFSATAONGQ-FYJGNVAPSA-N 0 0 655.320 6.881 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408907072 1070181397 /nfs/dbraw/zinc/18/13/97/1070181397.db2.gz LMXBWPQBPDYBRT-WPWMEQJKSA-N 0 0 655.531 6.994 40 10 KKCBRN CC[C@@H](C)Oc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408902358 1070183466 /nfs/dbraw/zinc/18/34/66/1070183466.db2.gz NFKIYIPPLRPYDQ-RNEAKCBISA-N 0 0 525.433 5.883 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902770 1070184246 /nfs/dbraw/zinc/18/42/46/1070184246.db2.gz RETQZYQHIOSXGP-RGVLZGJSSA-N 0 0 607.275 7.382 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902952 1070184888 /nfs/dbraw/zinc/18/48/88/1070184888.db2.gz SPZTYRQGRYSALD-UDWIEESQSA-N 0 0 626.310 7.178 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408903224 1070185608 /nfs/dbraw/zinc/18/56/08/1070185608.db2.gz VXZCXVFCCACCTM-LPYMAVHISA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408903560 1070187187 /nfs/dbraw/zinc/18/71/87/1070187187.db2.gz ZSLUJAMCTUZFPX-HZHRSRAPSA-N 0 0 540.504 7.141 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000408919763 1070222582 /nfs/dbraw/zinc/22/25/82/1070222582.db2.gz CBOKDKCSQTYQTN-KOBOZNMDSA-N 0 0 585.795 5.933 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408929239 1070255402 /nfs/dbraw/zinc/25/54/02/1070255402.db2.gz SHWSNISVAXKTJJ-MFKUBSTISA-N 0 0 531.634 5.563 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934848 1070270724 /nfs/dbraw/zinc/27/07/24/1070270724.db2.gz CTUDFAUPCFFWMF-NPRXSWCKSA-N 0 0 679.814 6.711 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934851 1070270799 /nfs/dbraw/zinc/27/07/99/1070270799.db2.gz CTUDFAUPCFFWMF-ZXXDOZTISA-N 0 0 679.814 6.711 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408936789 1070277777 /nfs/dbraw/zinc/27/77/77/1070277777.db2.gz PXRIQICXALWEPD-NTFVMDSBSA-N 0 0 573.621 6.626 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=CC4=CC(=NNc5ccccc5)C=CC4=O)c(=O)n32)c1 ZINC000408936885 1070278384 /nfs/dbraw/zinc/27/83/84/1070278384.db2.gz ITBQAMULBGSBAD-HXZQFJTQSA-N 0 0 601.688 6.004 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939922 1070284301 /nfs/dbraw/zinc/28/43/01/1070284301.db2.gz NLTSVFWSHILGGU-TZUCAZQYSA-N 0 0 695.623 5.906 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1OCC ZINC000408940455 1070285911 /nfs/dbraw/zinc/28/59/11/1070285911.db2.gz UOPCQWGMZQCIMM-UONGPDOGSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Br)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408941766 1070286846 /nfs/dbraw/zinc/28/68/46/1070286846.db2.gz KHNZVYYKXZUHOL-IGCAUWKCSA-N 0 0 742.692 6.565 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408946571 1070309400 /nfs/dbraw/zinc/30/94/00/1070309400.db2.gz YXLDBJMTFDDENJ-CIAFOILYSA-N 0 0 539.813 6.132 40 10 KKCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000408959896 1070322512 /nfs/dbraw/zinc/32/25/12/1070322512.db2.gz HTIZKBMEHCNYOE-ZHZULCJRSA-N 0 0 500.418 5.114 40 10 KKCBRN COc1ccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000408986958 1070348799 /nfs/dbraw/zinc/34/87/99/1070348799.db2.gz TZQPLJRNWSOISO-UHFFFAOYSA-N 0 0 572.727 6.753 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)OC)c(Cl)c4)C3=O)o2)cc1 ZINC000408986632 1070348980 /nfs/dbraw/zinc/34/89/80/1070348980.db2.gz RRUWTIXICXGLTQ-CJLVFECKSA-N 0 0 539.971 6.645 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C4CCCCC4)cc3)C2=O)cc1Br ZINC000408985792 1070346392 /nfs/dbraw/zinc/34/63/92/1070346392.db2.gz NIAIIYLUHOPDCN-LGUFXXKBSA-N 0 0 528.490 8.367 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986516 1070348528 /nfs/dbraw/zinc/34/85/28/1070348528.db2.gz MLYPBSZIKBLONS-XNENXQGPSA-N 0 0 603.744 5.660 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(Cl)ccc3OC)C2=O)cc1Br ZINC000408987069 1070349517 /nfs/dbraw/zinc/34/95/17/1070349517.db2.gz VKOBRQHCINKKRE-CPNJWEJPSA-N 0 0 510.815 6.981 40 10 KKCBRN COc1ccccc1NC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408988428 1070351152 /nfs/dbraw/zinc/35/11/52/1070351152.db2.gz HYPAZCIBWFEWMQ-HHHXNRCGSA-N 0 0 529.666 5.046 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4Br)C3=O)o2)cc1 ZINC000408984270 1070352621 /nfs/dbraw/zinc/35/26/21/1070352621.db2.gz GEFHYSDSUUUUII-OQKWZONESA-N 0 0 526.386 6.967 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408992031 1070359675 /nfs/dbraw/zinc/35/96/75/1070359675.db2.gz QBULPTOHOUKBBD-UHFFFAOYSA-N 0 0 700.842 8.461 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408990195 1070355526 /nfs/dbraw/zinc/35/55/26/1070355526.db2.gz JUERVYVJKHKDBN-UHFFFAOYSA-N 0 0 845.211 10.933 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408990325 1070355691 /nfs/dbraw/zinc/35/56/91/1070355691.db2.gz KOIISFJQMDLJNQ-UHFFFAOYSA-N 0 0 594.718 7.123 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408993555 1070368543 /nfs/dbraw/zinc/36/85/43/1070368543.db2.gz WEGMDAZDQAUVHJ-LLXISZFLSA-N 0 0 650.782 5.973 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2Br)cc1 ZINC000408994608 1070371123 /nfs/dbraw/zinc/37/11/23/1070371123.db2.gz GSWVILQZPFXWDC-HZHRSRAPSA-N 0 0 507.384 5.700 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408999037 1070374179 /nfs/dbraw/zinc/37/41/79/1070374179.db2.gz VXALGQFERHLYKA-UHFFFAOYSA-N 0 0 747.292 8.854 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409000302 1070375497 /nfs/dbraw/zinc/37/54/97/1070375497.db2.gz YKPOWVYMZDJZJR-DFXMODJXSA-N 0 0 635.742 5.154 40 10 KKCBRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000409000825 1070376529 /nfs/dbraw/zinc/37/65/29/1070376529.db2.gz YRIAMHIAZHCTMZ-SRBQECPISA-N 0 0 577.688 8.081 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cccc(C)c4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409001167 1070376548 /nfs/dbraw/zinc/37/65/48/1070376548.db2.gz VBEBJHLWBIESCY-PTEVRWOPSA-N 0 0 576.722 5.321 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409006770 1070382985 /nfs/dbraw/zinc/38/29/85/1070382985.db2.gz KVRPCRKCSQIQRI-ZTKZIYFRSA-N 0 0 575.690 6.378 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409008021 1070384517 /nfs/dbraw/zinc/38/45/17/1070384517.db2.gz UQTKDOKYCQLWEK-WQRHYEAKSA-N 0 0 604.329 6.253 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013747 1070386623 /nfs/dbraw/zinc/38/66/23/1070386623.db2.gz VARVJGVLODFZOX-HZHRSRAPSA-N 0 0 518.013 6.046 40 10 KKCBRN CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000409010756 1070388582 /nfs/dbraw/zinc/38/85/82/1070388582.db2.gz KZOVCYNTGOEFED-RNLRLKOUSA-N 0 0 519.066 6.882 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409011793 1070389440 /nfs/dbraw/zinc/38/94/40/1070389440.db2.gz IQEDMLJETUIGIV-BIAHDLMSSA-N 0 0 604.725 5.139 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409011808 1070389496 /nfs/dbraw/zinc/38/94/96/1070389496.db2.gz IRFFXFBCJKICBE-IMRQLAEWSA-N 0 0 625.594 5.728 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409008623 1070391280 /nfs/dbraw/zinc/39/12/80/1070391280.db2.gz YWLWVOKAWDGPOS-UHFFFAOYSA-N 0 0 591.689 6.160 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015595 1070395482 /nfs/dbraw/zinc/39/54/82/1070395482.db2.gz SQBNHYHZVWACKL-ZCTHSVRISA-N 0 0 679.622 7.862 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409017730 1070392520 /nfs/dbraw/zinc/39/25/20/1070392520.db2.gz GWMYACVKUAKVRL-RAWKODRKSA-N 0 0 569.727 5.303 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409013683 1070393639 /nfs/dbraw/zinc/39/36/39/1070393639.db2.gz NHJGAZHOFBVXPA-KOEQRZSOSA-N 0 0 535.069 5.133 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409017036 1070396962 /nfs/dbraw/zinc/39/69/62/1070396962.db2.gz DWKIZWRHHZLSKK-NDZAJKAJSA-N 0 0 617.123 6.197 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020855 1070397744 /nfs/dbraw/zinc/39/77/44/1070397744.db2.gz UUFDFPHPMIUHKF-MFKUBSTISA-N 0 0 555.052 5.296 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409021383 1070398041 /nfs/dbraw/zinc/39/80/41/1070398041.db2.gz FBLRFWHXDHDQEJ-PKYOQBLNSA-N 0 0 571.768 5.625 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409021534 1070398566 /nfs/dbraw/zinc/39/85/66/1070398566.db2.gz MDYXSNQJQJRKJU-RZCKFYKVSA-N 0 0 600.788 6.713 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409022165 1070399159 /nfs/dbraw/zinc/39/91/59/1070399159.db2.gz HFQYIRRZRZEDDQ-FATJQOLTSA-N 0 0 588.733 5.598 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000409022698 1070399901 /nfs/dbraw/zinc/39/99/01/1070399901.db2.gz PSMZBYSPEDKRJA-CVNAYVFFSA-N 0 0 602.760 5.409 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022876 1070400051 /nfs/dbraw/zinc/40/00/51/1070400051.db2.gz VEEKKSOMXDQARK-OUXZYKPHSA-N 0 0 587.749 5.347 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409019276 1070402201 /nfs/dbraw/zinc/40/22/01/1070402201.db2.gz QIGNLCSUKBQQPF-SLZKQOKCSA-N 0 0 649.769 5.463 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409019610 1070403161 /nfs/dbraw/zinc/40/31/61/1070403161.db2.gz UYQAMSDGKLVKAG-MFKUBSTISA-N 0 0 557.448 5.600 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409020317 1070404570 /nfs/dbraw/zinc/40/45/70/1070404570.db2.gz NWOCLLRMSNADAC-XKZIYDEJSA-N 0 0 509.433 6.895 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409020187 1070404609 /nfs/dbraw/zinc/40/46/09/1070404609.db2.gz MNYZKCLQTWVWHE-RDRPBHBLSA-N 0 0 681.992 6.964 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409030538 1070413099 /nfs/dbraw/zinc/41/30/99/1070413099.db2.gz DUCYYQSZDHWVCN-MKMNVTDBSA-N 0 0 545.266 7.213 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC1=S ZINC000409032645 1070419960 /nfs/dbraw/zinc/41/99/60/1070419960.db2.gz CTFHUFONJHDGFW-GRSHGNNSSA-N 0 0 507.431 5.794 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000409032343 1070419980 /nfs/dbraw/zinc/41/99/80/1070419980.db2.gz ISYSBTZXJFOCQK-AWNIVKPZSA-N 0 0 681.168 7.273 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032794 1070420691 /nfs/dbraw/zinc/42/06/91/1070420691.db2.gz DKXICYRQGGEORJ-KXBQFYOSSA-N 0 0 738.734 7.326 40 10 KKCBRN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1[N+](=O)[O-] ZINC000409033862 1070424604 /nfs/dbraw/zinc/42/46/04/1070424604.db2.gz MOTBXWFEDQCJNU-SDZLHINSSA-N 0 0 548.262 6.036 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409039680 1070432080 /nfs/dbraw/zinc/43/20/80/1070432080.db2.gz XEMVHTWCTHBGPI-LZYBPNLTSA-N 0 0 571.329 7.473 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)sc2=N1 ZINC000409035408 1070434260 /nfs/dbraw/zinc/43/42/60/1070434260.db2.gz SMZMCCVGJXMIQG-VMCUCKNMSA-N 0 0 603.744 5.785 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000409036594 1070437736 /nfs/dbraw/zinc/43/77/36/1070437736.db2.gz LTJUTJLSEXGIDK-LZYBPNLTSA-N 0 0 646.325 6.910 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F ZINC000409036996 1070439161 /nfs/dbraw/zinc/43/91/61/1070439161.db2.gz SDERIGCZOQCOCL-DHDCSXOGSA-N 0 0 510.821 6.560 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409037634 1070440368 /nfs/dbraw/zinc/44/03/68/1070440368.db2.gz UBMNELSWFPLKLQ-OVCLIPMQSA-N 0 0 571.329 7.473 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccccc1 ZINC000409041858 1070445787 /nfs/dbraw/zinc/44/57/87/1070445787.db2.gz VYHSMEJQBQIOCX-NVNXTCNLSA-N 0 0 710.178 6.976 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409043081 1070448798 /nfs/dbraw/zinc/44/87/98/1070448798.db2.gz PPMLSVLHELRGNG-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409052573 1070456063 /nfs/dbraw/zinc/45/60/63/1070456063.db2.gz KLZUMXFOLRDKMB-OYKKKHCWSA-N 0 0 588.976 7.790 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(Cl)cc2)c2ccccc12 ZINC000409048382 1070461685 /nfs/dbraw/zinc/46/16/85/1070461685.db2.gz WHYOSEZPXHEZOR-UDWIEESQSA-N 0 0 558.959 8.287 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000409060185 1070472801 /nfs/dbraw/zinc/47/28/01/1070472801.db2.gz ZLAMBIVUCMWISC-UCQKPKSFSA-N 0 0 506.986 5.642 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cc(Cl)cc(Cl)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409059132 1070472346 /nfs/dbraw/zinc/47/23/46/1070472346.db2.gz PQLPUFLTZLSLNA-ROTLSHHCSA-N 0 0 525.432 6.677 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409062351 1070477657 /nfs/dbraw/zinc/47/76/57/1070477657.db2.gz SJRPEDAPOAFCBG-MYYYXRDXSA-N 0 0 505.014 6.332 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409065424 1070481900 /nfs/dbraw/zinc/48/19/00/1070481900.db2.gz SBRXMYKWNZHBAV-ISZRBDKASA-N 0 0 721.661 6.137 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409081467 1070504940 /nfs/dbraw/zinc/50/49/40/1070504940.db2.gz PIZBVCXHJTWEQF-ONUIUJJFSA-N 0 0 587.901 7.915 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409083218 1070508390 /nfs/dbraw/zinc/50/83/90/1070508390.db2.gz KSQUGOFFVCFWIB-UZQMFHLOSA-N 0 0 552.487 5.946 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409079228 1070514659 /nfs/dbraw/zinc/51/46/59/1070514659.db2.gz KPANMPINSRUECJ-LELXDKESSA-N 0 0 538.460 5.556 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OCC)cc4)C3=O)c2C)cc1 ZINC000409093869 1070518171 /nfs/dbraw/zinc/51/81/71/1070518171.db2.gz BEGNLOAXYFWDHR-OVVQPSECSA-N 0 0 531.678 6.510 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409093368 1070517442 /nfs/dbraw/zinc/51/74/42/1070517442.db2.gz ZDNJCANVCYIXMS-UHFFFAOYSA-N 0 0 673.432 7.040 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088774 1070522702 /nfs/dbraw/zinc/52/27/02/1070522702.db2.gz YCUNVGAXGQLRRR-ULJHMMPZSA-N 0 0 543.848 7.516 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)S1 ZINC000409090292 1070525053 /nfs/dbraw/zinc/52/50/53/1070525053.db2.gz MDADISOQZMIHNK-LZYBPNLTSA-N 0 0 544.652 5.550 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409091998 1070527509 /nfs/dbraw/zinc/52/75/09/1070527509.db2.gz WUMHQYQSOGWDNO-ZBVAGJKESA-N 0 0 632.830 6.290 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409091950 1070527547 /nfs/dbraw/zinc/52/75/47/1070527547.db2.gz RUUNPADBKNLJSK-OEAKJJBVSA-N 0 0 637.954 7.305 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409098155 1070531118 /nfs/dbraw/zinc/53/11/18/1070531118.db2.gz NOEXVEGNXWGUDK-JVWAILMASA-N 0 0 649.563 7.834 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)SC2=S)c1 ZINC000409101137 1070533888 /nfs/dbraw/zinc/53/38/88/1070533888.db2.gz VUNSUPPHEDLXJC-KOEQRZSOSA-N 0 0 562.648 6.382 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)C2=O)cc1 ZINC000409106454 1070540601 /nfs/dbraw/zinc/54/06/01/1070540601.db2.gz RXDUWSTWDPDLKG-MFKUBSTISA-N 0 0 547.633 5.263 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409123108 1070548074 /nfs/dbraw/zinc/54/80/74/1070548074.db2.gz DYPFKXYUMMPUGW-UUYOSTAYSA-N 0 0 558.523 5.801 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409130978 1070557672 /nfs/dbraw/zinc/55/76/72/1070557672.db2.gz XMKPQDCQLCBNTD-BKUYFWCQSA-N 0 0 615.405 5.187 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409142100 1070565123 /nfs/dbraw/zinc/56/51/23/1070565123.db2.gz LFGHYZAAAWBCDJ-YPFLROGLSA-N 0 0 513.084 6.144 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409147090 1070565665 /nfs/dbraw/zinc/56/56/65/1070565665.db2.gz VBYGUFOMGJOIPP-XYGWBWBKSA-N 0 0 529.666 5.872 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144224 1070572081 /nfs/dbraw/zinc/57/20/81/1070572081.db2.gz IXNZMEMOODAVIO-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1 ZINC000409144183 1070572171 /nfs/dbraw/zinc/57/21/71/1070572171.db2.gz IOWZZZAFSOJKBC-FOKLQQMPSA-N 0 0 506.649 5.598 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409158685 1070575026 /nfs/dbraw/zinc/57/50/26/1070575026.db2.gz SBINPLWWMWCPLK-UMTXDNHDSA-N 0 0 568.895 7.612 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409161624 1070580886 /nfs/dbraw/zinc/58/08/86/1070580886.db2.gz NRZARZTVLMOKCX-RMORIDSASA-N 0 0 559.679 6.562 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163550 1070581926 /nfs/dbraw/zinc/58/19/26/1070581926.db2.gz TYTLYXHSZRNVIG-UZINWLIJSA-N 0 0 521.411 7.080 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409164591 1070582612 /nfs/dbraw/zinc/58/26/12/1070582612.db2.gz KPLIDCSZNXABSC-UAVUOLJFSA-N 0 0 610.173 8.933 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)ccc1Cl ZINC000409166622 1070584686 /nfs/dbraw/zinc/58/46/86/1070584686.db2.gz DJOOJEPHEYKHJK-AFUMVMLFSA-N 0 0 600.524 7.033 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166897 1070584805 /nfs/dbraw/zinc/58/48/05/1070584805.db2.gz GBTFXWYRSYAPBH-WQQNLHNWSA-N 0 0 538.485 8.530 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178423 1070594046 /nfs/dbraw/zinc/59/40/46/1070594046.db2.gz HRPCKKLKDGSAOT-NHDPSOOVSA-N 0 0 500.960 6.372 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000409176133 1070591061 /nfs/dbraw/zinc/59/10/61/1070591061.db2.gz IDBYJPYILCPYHW-LFVJCYFKSA-N 0 0 531.659 5.374 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409179137 1070594669 /nfs/dbraw/zinc/59/46/69/1070594669.db2.gz NJHHJYMLYYSGLR-UKWGHVSLSA-N 0 0 510.965 7.311 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409181963 1070599790 /nfs/dbraw/zinc/59/97/90/1070599790.db2.gz HETQJEBRKNIKPP-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184352 1070604084 /nfs/dbraw/zinc/60/40/84/1070604084.db2.gz GFWXXVPFJUXFJC-ZVRQFFJGSA-N 0 0 649.769 6.022 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184817 1070604119 /nfs/dbraw/zinc/60/41/19/1070604119.db2.gz HYDQNLCVOTUVNG-NQJOPJERSA-N 0 0 696.917 8.830 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183614 1070602440 /nfs/dbraw/zinc/60/24/40/1070602440.db2.gz COAWMTFYYXNWKE-ZUCDXVIFSA-N 0 0 551.668 5.981 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184275 1070603207 /nfs/dbraw/zinc/60/32/07/1070603207.db2.gz VUALGHNZRVAOLQ-FJNAIRSASA-N 0 0 688.249 8.312 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409186142 1070606123 /nfs/dbraw/zinc/60/61/23/1070606123.db2.gz XMINENRRCDEMSD-YKQZZPSBSA-N 0 0 685.120 7.529 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186215 1070606346 /nfs/dbraw/zinc/60/63/46/1070606346.db2.gz YZPKFAGLKFQJOT-OJBQBBGCSA-N 0 0 714.682 7.640 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185995 1070606400 /nfs/dbraw/zinc/60/64/00/1070606400.db2.gz UQWKUIZQDGRALJ-LAORTMLSSA-N 0 0 685.802 7.435 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OC ZINC000409194245 1070612707 /nfs/dbraw/zinc/61/27/07/1070612707.db2.gz INXXHIKZBVVHNE-CXUHLZMHSA-N 0 0 576.275 5.867 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409195250 1070614327 /nfs/dbraw/zinc/61/43/27/1070614327.db2.gz NVNJBPLKQUPHOO-YDZHTSKRSA-N 0 0 533.502 6.927 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1Cl ZINC000409206358 1070621602 /nfs/dbraw/zinc/62/16/02/1070621602.db2.gz VHYOSQBRFVBQMV-MBTHVWNTSA-N 0 0 541.097 7.911 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCC ZINC000409198184 1070619389 /nfs/dbraw/zinc/61/93/89/1070619389.db2.gz ZIDRGPOMRISUBE-LICLKQGHSA-N 0 0 543.302 6.415 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409206551 1070621641 /nfs/dbraw/zinc/62/16/41/1070621641.db2.gz LCENTUUESAJGRG-RGVLZGJSSA-N 0 0 612.796 7.400 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409206655 1070622153 /nfs/dbraw/zinc/62/21/53/1070622153.db2.gz ZMDAZAAHPGLILS-SSDVNMTOSA-N 0 0 606.951 6.084 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409200983 1070626534 /nfs/dbraw/zinc/62/65/34/1070626534.db2.gz UHCPCDGCKMMWKE-UFFVCSGVSA-N 0 0 551.314 7.741 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000409207628 1070623738 /nfs/dbraw/zinc/62/37/38/1070623738.db2.gz ZAPFGFQETSYNAM-RGVLZGJSSA-N 0 0 596.341 6.885 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC ZINC000409201796 1070627329 /nfs/dbraw/zinc/62/73/29/1070627329.db2.gz PZANDELYILVXDW-CXUHLZMHSA-N 0 0 529.275 6.025 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206119 1070632714 /nfs/dbraw/zinc/63/27/14/1070632714.db2.gz MKGVWFYDIGXZRT-FYJGNVAPSA-N 0 0 509.565 5.595 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409205682 1070631741 /nfs/dbraw/zinc/63/17/41/1070631741.db2.gz FBBCVIUBFOOYKC-IUXPMGMMSA-N 0 0 529.275 6.025 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205597 1070631964 /nfs/dbraw/zinc/63/19/64/1070631964.db2.gz REOQXDMRZNDVTN-VXLYETTFSA-N 0 0 544.408 5.959 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409223993 1070650988 /nfs/dbraw/zinc/65/09/88/1070650988.db2.gz GZIJTFGGIZUTCN-OYKKKHCWSA-N 0 0 557.068 5.949 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409230698 1070656868 /nfs/dbraw/zinc/65/68/68/1070656868.db2.gz FQJYYBZTWJJSNZ-HZRSJKMUSA-N 0 0 572.630 6.694 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409234345 1070660540 /nfs/dbraw/zinc/66/05/40/1070660540.db2.gz VSLVEJBQRYCBQM-ZVHZXABRSA-N 0 0 563.441 5.845 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409244704 1070661974 /nfs/dbraw/zinc/66/19/74/1070661974.db2.gz HMZLZKOAPPNVGK-NAGKPISUSA-N 0 0 557.015 5.757 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409235685 1070662050 /nfs/dbraw/zinc/66/20/50/1070662050.db2.gz PSOVNUSXWFFSHU-CFRMEGHHSA-N 0 0 573.523 6.988 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409250080 1070667069 /nfs/dbraw/zinc/66/70/69/1070667069.db2.gz VZTOYBVGYFYOJB-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409241168 1070668606 /nfs/dbraw/zinc/66/86/06/1070668606.db2.gz RUJYLDPJLMNCIT-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409241474 1070669187 /nfs/dbraw/zinc/66/91/87/1070669187.db2.gz NQLLVETWGVPRLI-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409259597 1070672108 /nfs/dbraw/zinc/67/21/08/1070672108.db2.gz BFXUCBIMGNNGRW-MFOYZWKCSA-N 0 0 541.876 5.268 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)SC1=S ZINC000409254989 1070673339 /nfs/dbraw/zinc/67/33/39/1070673339.db2.gz GOKZVHGDKURRRN-MOSHPQCFSA-N 0 0 524.586 5.733 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409255941 1070674689 /nfs/dbraw/zinc/67/46/89/1070674689.db2.gz MMOHHDNKVDTGHW-XMSCMFJESA-N 0 0 539.078 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409255616 1070674697 /nfs/dbraw/zinc/67/46/97/1070674697.db2.gz MKQKMTALOOXORU-CFKHXJFWSA-N 0 0 526.680 5.100 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409256040 1070675503 /nfs/dbraw/zinc/67/55/03/1070675503.db2.gz JKZUTGAXSKTQHB-JLPGSUDCSA-N 0 0 517.676 5.793 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000409265541 1070688897 /nfs/dbraw/zinc/68/88/97/1070688897.db2.gz VLAFMEIRCWYDEO-ODLFYWEKSA-N 0 0 519.486 5.693 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409252121 1070683250 /nfs/dbraw/zinc/68/32/50/1070683250.db2.gz SSRNRXWCOOFHIQ-UHFFFAOYSA-N 0 0 654.517 6.757 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409261242 1070696948 /nfs/dbraw/zinc/69/69/48/1070696948.db2.gz BHHKBKAMDIQZLA-YSMPRRRNSA-N 0 0 644.511 6.873 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)cc(C)c4)c3)SC2=S)cc1 ZINC000409262182 1070698685 /nfs/dbraw/zinc/69/86/85/1070698685.db2.gz DBNNQBHAAIFIKF-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409270465 1070705753 /nfs/dbraw/zinc/70/57/53/1070705753.db2.gz PWYUOXHEHNYHTP-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409271670 1070708880 /nfs/dbraw/zinc/70/88/80/1070708880.db2.gz LAARCKQOWUBNFF-NVMNQCDNSA-N 0 0 508.825 5.152 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409273798 1070713548 /nfs/dbraw/zinc/71/35/48/1070713548.db2.gz SUBXRPFWZIZUKK-MFKUBSTISA-N 0 0 516.022 6.576 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408880194 1070790875 /nfs/dbraw/zinc/79/08/75/1070790875.db2.gz DYPAFUJOMIPYOY-UHFFFAOYSA-N 0 0 571.004 7.040 40 10 KKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408878010 1070801535 /nfs/dbraw/zinc/80/15/35/1070801535.db2.gz ZZYOMRKSZITMCI-UHFFFAOYSA-N 0 0 505.368 5.821 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000408878011 1070801783 /nfs/dbraw/zinc/80/17/83/1070801783.db2.gz YRTIXFQBXWTNCP-NTFVMDSBSA-N 0 0 605.638 7.464 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3ccccc3Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408877921 1070803101 /nfs/dbraw/zinc/80/31/01/1070803101.db2.gz YCRJTWXFGUBDCG-UHFFFAOYSA-N 0 0 537.413 6.623 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408877586 1070805911 /nfs/dbraw/zinc/80/59/11/1070805911.db2.gz VWRUUVKEULGHKH-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2Cc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408877506 1070807994 /nfs/dbraw/zinc/80/79/94/1070807994.db2.gz RYSWZMFQTNKREY-UHFFFAOYSA-N 0 0 555.403 6.762 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409326614 1070826131 /nfs/dbraw/zinc/82/61/31/1070826131.db2.gz CNQFCXPONGGQBA-BKUYFWCQSA-N 0 0 558.062 5.954 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1 ZINC000409326847 1070827245 /nfs/dbraw/zinc/82/72/45/1070827245.db2.gz FHSOLDLXVDJMGU-MYYYXRDXSA-N 0 0 522.478 8.131 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409328663 1070829470 /nfs/dbraw/zinc/82/94/70/1070829470.db2.gz ZOYNZNFNJNDSDV-SXGWCWSVSA-N 0 0 607.276 5.696 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409329532 1070831116 /nfs/dbraw/zinc/83/11/16/1070831116.db2.gz FHGQYSNYZJCVPZ-ZMOGYAJESA-N 0 0 552.052 6.037 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329398 1070831239 /nfs/dbraw/zinc/83/12/39/1070831239.db2.gz FHUMDRCCSIQVIC-GIJQJNRQSA-N 0 0 556.246 7.330 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000409329848 1070832708 /nfs/dbraw/zinc/83/27/08/1070832708.db2.gz HMNRPIAFMQBSAW-FRKPEAEDSA-N 0 0 657.720 6.362 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)c(C)c1 ZINC000409330144 1070833556 /nfs/dbraw/zinc/83/35/56/1070833556.db2.gz JMBWAMACEFMUAI-UUYOSTAYSA-N 0 0 507.549 6.318 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409331201 1070834677 /nfs/dbraw/zinc/83/46/77/1070834677.db2.gz MQDMWNSHDYOOPC-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409331458 1070835387 /nfs/dbraw/zinc/83/53/87/1070835387.db2.gz OAUGJSRNQDNVGM-LPYMAVHISA-N 0 0 560.922 7.404 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)SC1=S ZINC000409333788 1070838974 /nfs/dbraw/zinc/83/89/74/1070838974.db2.gz VZSXTVAZJNLTQN-NDENLUEZSA-N 0 0 519.486 5.695 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409340465 1070846521 /nfs/dbraw/zinc/84/65/21/1070846521.db2.gz XPYDGGFTQKAYNS-IWIPYMOSSA-N 0 0 510.080 7.340 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409334383 1070840682 /nfs/dbraw/zinc/84/06/82/1070840682.db2.gz XKOPJEUXHLUQBQ-CIAFOILYSA-N 0 0 625.791 7.858 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409339521 1070845461 /nfs/dbraw/zinc/84/54/61/1070845461.db2.gz JLVZMDBUYDTTMJ-UUYOSTAYSA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC)c(OCC)c3)SC2=S)cc1 ZINC000409340374 1070846267 /nfs/dbraw/zinc/84/62/67/1070846267.db2.gz VYGSSQYPBOWKPJ-CPNJWEJPSA-N 0 0 555.459 5.893 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000409335133 1070854857 /nfs/dbraw/zinc/85/48/57/1070854857.db2.gz XQNGMMCBFNDYDU-PDGQHHTCSA-N 0 0 525.433 5.490 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409341851 1070848604 /nfs/dbraw/zinc/84/86/04/1070848604.db2.gz AHVLJCUELQUXAP-NVNXTCNLSA-N 0 0 627.694 6.354 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409342043 1070849271 /nfs/dbraw/zinc/84/92/71/1070849271.db2.gz BFFVPHITFMALHJ-NVNXTCNLSA-N 0 0 593.249 5.306 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409342481 1070849969 /nfs/dbraw/zinc/84/99/69/1070849969.db2.gz DKHRPWROZUVAJB-UKWGHVSLSA-N 0 0 724.210 8.187 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1C ZINC000409342891 1070850635 /nfs/dbraw/zinc/85/06/35/1070850635.db2.gz CXFULHIEPXUZLC-WGOQTCKBSA-N 0 0 516.688 6.850 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409335777 1070855399 /nfs/dbraw/zinc/85/53/99/1070855399.db2.gz ZKEHFJUIZOHZRU-FBHDLOMBSA-N 0 0 524.853 7.771 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2OC)cc1 ZINC000409343459 1070851927 /nfs/dbraw/zinc/85/19/27/1070851927.db2.gz GXGVPZGHXMNYFT-ZVHZXABRSA-N 0 0 522.623 5.820 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409344626 1070853104 /nfs/dbraw/zinc/85/31/04/1070853104.db2.gz HPUKAUSXWZAPHA-QFEZKATASA-N 0 0 550.080 6.645 40 10 KKCBRN O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409345145 1070853311 /nfs/dbraw/zinc/85/33/11/1070853311.db2.gz KASITNIRCMCXGZ-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)c1 ZINC000409344893 1070853570 /nfs/dbraw/zinc/85/35/70/1070853570.db2.gz IAAONGZIDDREHW-NHDPSOOVSA-N 0 0 504.624 7.241 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3Br)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408894534 1070853699 /nfs/dbraw/zinc/85/36/99/1070853699.db2.gz JMCORQLYTNJSMY-UHFFFAOYSA-N 0 0 619.540 7.930 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338657 1070861488 /nfs/dbraw/zinc/86/14/88/1070861488.db2.gz NUPFASJNDWOVME-UFFVCSGVSA-N 0 0 630.210 8.503 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408893715 1070861777 /nfs/dbraw/zinc/86/17/77/1070861777.db2.gz GYCBBPQRQKDLER-UHFFFAOYSA-N 0 0 597.136 7.683 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409339462 1070862457 /nfs/dbraw/zinc/86/24/57/1070862457.db2.gz IJVMKVKVDSGUHQ-SXGWCWSVSA-N 0 0 531.824 5.363 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409339476 1070862560 /nfs/dbraw/zinc/86/25/60/1070862560.db2.gz IRPNYCVCOANPTE-HYARGMPZSA-N 0 0 652.373 7.437 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339266 1070862670 /nfs/dbraw/zinc/86/26/70/1070862670.db2.gz GJSUUVYTQHXNMW-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409339438 1070862804 /nfs/dbraw/zinc/86/28/04/1070862804.db2.gz VSIASXVFGYFLCW-BOPFTXTBSA-N 0 0 511.406 5.100 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1Cl ZINC000409347331 1070864303 /nfs/dbraw/zinc/86/43/03/1070864303.db2.gz PICROYKBWJJVIG-UFFVCSGVSA-N 0 0 643.781 7.998 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409347800 1070864428 /nfs/dbraw/zinc/86/44/28/1070864428.db2.gz REPKBLYAOYYZRA-CAOOACKPSA-N 0 0 577.305 6.112 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409348532 1070865714 /nfs/dbraw/zinc/86/57/14/1070865714.db2.gz OFDZEXHQBPYUCG-QFEZKATASA-N 0 0 539.509 7.719 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409348954 1070866437 /nfs/dbraw/zinc/86/64/37/1070866437.db2.gz UEBUPMYUXWLEEH-NHDPSOOVSA-N 0 0 595.765 7.850 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409350052 1070868123 /nfs/dbraw/zinc/86/81/23/1070868123.db2.gz WYZZIHLRSJEAND-MFKUBSTISA-N 0 0 536.650 6.381 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892383 1070872487 /nfs/dbraw/zinc/87/24/87/1070872487.db2.gz ZAZDMBDKMGKUTO-UHFFFAOYSA-N 0 0 724.598 6.514 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409352691 1070870979 /nfs/dbraw/zinc/87/09/79/1070870979.db2.gz YMVOYZUIINUPQA-BUVRLJJBSA-N 0 0 520.632 5.436 40 10 KKCBRN CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409355105 1070874936 /nfs/dbraw/zinc/87/49/36/1070874936.db2.gz BPUMTQPUKWSJDN-ZDFORSFOSA-N 0 0 576.126 7.132 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409345411 1070876390 /nfs/dbraw/zinc/87/63/90/1070876390.db2.gz LUPRAQKVQXBWOZ-LDADJPATSA-N 0 0 541.432 5.503 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409345450 1070876573 /nfs/dbraw/zinc/87/65/73/1070876573.db2.gz IMKIAXOZIIBDJW-YBFXNURJSA-N 0 0 501.383 6.332 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408890066 1070885609 /nfs/dbraw/zinc/88/56/09/1070885609.db2.gz NESCXTBCVOOLCU-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409375319 1070889052 /nfs/dbraw/zinc/88/90/52/1070889052.db2.gz JAPSSYJQNODEFQ-QFEZKATASA-N 0 0 564.505 5.786 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409367797 1070890836 /nfs/dbraw/zinc/89/08/36/1070890836.db2.gz GQERGHCHUXQVPC-JFLMPSFJSA-N 0 0 624.571 8.062 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409368284 1070891337 /nfs/dbraw/zinc/89/13/37/1070891337.db2.gz RDUDHTHBARBXTM-MKMNVTDBSA-N 0 0 549.255 5.408 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368186 1070891585 /nfs/dbraw/zinc/89/15/85/1070891585.db2.gz OQZMGHYTTHCGFI-ZMOGYAJESA-N 0 0 647.562 6.356 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000409368371 1070891854 /nfs/dbraw/zinc/89/18/54/1070891854.db2.gz ZZCMFBRMABVDAT-SRZZPIQSSA-N 0 0 575.455 6.419 40 10 KKCBRN O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409370000 1070894005 /nfs/dbraw/zinc/89/40/05/1070894005.db2.gz JCDBNWYBNMZHOX-CRKCGEKBSA-N 0 0 503.215 6.812 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000409371613 1070894618 /nfs/dbraw/zinc/89/46/18/1070894618.db2.gz IUCMJNKNPGYEHK-VIZOYTHASA-N 0 0 610.282 5.640 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000408906432 1070895689 /nfs/dbraw/zinc/89/56/89/1070895689.db2.gz JHRYZGDODXWSNP-YDZHTSKRSA-N 0 0 568.413 5.027 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409384748 1070901904 /nfs/dbraw/zinc/90/19/04/1070901904.db2.gz FTFICPXYDXOPQP-APSNUPSMSA-N 0 0 537.715 7.209 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)SC1=S ZINC000409387859 1070909578 /nfs/dbraw/zinc/90/95/78/1070909578.db2.gz SJFLBIDKUQYTCS-BKUYFWCQSA-N 0 0 531.440 6.245 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408903450 1070903252 /nfs/dbraw/zinc/90/32/52/1070903252.db2.gz YCKCWFSVXNMJNV-MTJSOVHGSA-N 0 0 558.803 6.338 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408903417 1070903533 /nfs/dbraw/zinc/90/35/33/1070903533.db2.gz XMEDWLULQZUGMT-CIAFOILYSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903480 1070903939 /nfs/dbraw/zinc/90/39/39/1070903939.db2.gz YKUSLDVSZQXBET-UDWIEESQSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408903295 1070904704 /nfs/dbraw/zinc/90/47/04/1070904704.db2.gz XABPVEVCYBPGCN-HYARGMPZSA-N 0 0 500.016 6.863 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408903257 1070905977 /nfs/dbraw/zinc/90/59/77/1070905977.db2.gz WLYWKQGGPRHMMO-FYJGNVAPSA-N 0 0 604.447 6.193 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902841 1070907459 /nfs/dbraw/zinc/90/74/59/1070907459.db2.gz RVVLKIVRJRPLOO-PCLIKHOPSA-N 0 0 579.484 7.429 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408902741 1070909104 /nfs/dbraw/zinc/90/91/04/1070909104.db2.gz QUFZHRGYRCYJJY-HZHRSRAPSA-N 0 0 526.477 6.833 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408902495 1070912051 /nfs/dbraw/zinc/91/20/51/1070912051.db2.gz OOGCZOIPKIQYGS-YDZHTSKRSA-N 0 0 526.477 6.751 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408902276 1070912472 /nfs/dbraw/zinc/91/24/72/1070912472.db2.gz MRCRFEWTFKEETP-ZVHZXABRSA-N 0 0 583.529 6.580 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)C2=O)o1 ZINC000409398366 1070912591 /nfs/dbraw/zinc/91/25/91/1070912591.db2.gz DIFPDBCUUDYFKD-WGARJPEWSA-N 0 0 594.451 6.452 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902132 1070913222 /nfs/dbraw/zinc/91/32/22/1070913222.db2.gz KPUGQAHSQYVRIU-UDWIEESQSA-N 0 0 551.314 7.741 40 10 KKCBRN CC[C@H](C)Oc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408902357 1070913309 /nfs/dbraw/zinc/91/33/09/1070913309.db2.gz NFKIYIPPLRPYDQ-HTMJNSLASA-N 0 0 525.433 5.883 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408902118 1070913437 /nfs/dbraw/zinc/91/34/37/1070913437.db2.gz KIOWRVNLPSHYNM-ZVHZXABRSA-N 0 0 509.483 7.711 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408902228 1070913873 /nfs/dbraw/zinc/91/38/73/1070913873.db2.gz MGUCGSGURRMIBM-WPWMEQJKSA-N 0 0 575.553 7.841 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408902165 1070914071 /nfs/dbraw/zinc/91/40/71/1070914071.db2.gz LCZANAGKOHOHNM-LDADJPATSA-N 0 0 525.433 5.883 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408902231 1070914643 /nfs/dbraw/zinc/91/46/43/1070914643.db2.gz MHMYUZDCTONQGJ-HYARGMPZSA-N 0 0 699.373 7.279 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409400912 1070915605 /nfs/dbraw/zinc/91/56/05/1070915605.db2.gz VBRREHFBNWDCAP-YSMPRRRNSA-N 0 0 621.329 6.660 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901665 1070916496 /nfs/dbraw/zinc/91/64/96/1070916496.db2.gz HBEHVMVCXCCJBX-KEBDBYFISA-N 0 0 677.210 8.345 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408901284 1070921983 /nfs/dbraw/zinc/92/19/83/1070921983.db2.gz DBOOMJSXFFOTMB-LPYMAVHISA-N 0 0 536.382 6.141 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408897634 1070965108 /nfs/dbraw/zinc/96/51/08/1070965108.db2.gz ZDOMLZAZWJUFHK-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(C)cc4)S(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408907369 1070990609 /nfs/dbraw/zinc/99/06/09/1070990609.db2.gz MNYCPQPOUJGDCD-QNKGDIEWSA-N 0 0 668.768 6.341 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000408913481 1071018652 /nfs/dbraw/zinc/01/86/52/1071018652.db2.gz VCGDBWSIYAHMSQ-KQWNVCNZSA-N 0 0 542.458 5.830 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408926337 1071072743 /nfs/dbraw/zinc/07/27/43/1071072743.db2.gz MRAPRUIKNSUXDT-PKYOQBLNSA-N 0 0 622.574 5.750 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408920757 1071102203 /nfs/dbraw/zinc/10/22/03/1071102203.db2.gz LEGOXOWBSZOQPC-UNDLXJOSSA-N 0 0 629.804 5.493 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408928314 1071185524 /nfs/dbraw/zinc/18/55/24/1071185524.db2.gz ZSNIISZGNVZXSF-HZHHUVPKSA-N 0 0 635.746 5.084 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408927706 1071192890 /nfs/dbraw/zinc/19/28/90/1071192890.db2.gz XELQESUWCHUYSX-WAHKBFHJSA-N 0 0 661.780 5.528 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000408927388 1071196446 /nfs/dbraw/zinc/19/64/46/1071196446.db2.gz WIXUMYRLDRZCQF-PKYOQBLNSA-N 0 0 571.768 5.625 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408937110 1071204658 /nfs/dbraw/zinc/20/46/58/1071204658.db2.gz HZFSBFFBVRMKOJ-WGOQTCKBSA-N 0 0 525.004 6.913 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000208698192 1071213131 /nfs/dbraw/zinc/21/31/31/1071213131.db2.gz QIAHBLQPYPAZFS-JAIQZWGSSA-N 0 0 597.300 7.475 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408934550 1071232918 /nfs/dbraw/zinc/23/29/18/1071232918.db2.gz FAONZHYFHBCGCG-SRZZPIQSSA-N 0 0 635.285 7.018 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223449571 1071309601 /nfs/dbraw/zinc/30/96/01/1071309601.db2.gz ZATUVNUDEYHGAY-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000408938069 1071334929 /nfs/dbraw/zinc/33/49/29/1071334929.db2.gz KHPRNJDAWIKEMC-CIAFOILYSA-N 0 0 523.358 5.618 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6cccc(F)c6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408955334 1071385588 /nfs/dbraw/zinc/38/55/88/1071385588.db2.gz XZDXVRYJFVETBC-IGCAUWKCSA-N 0 0 681.786 5.941 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965092 1071415712 /nfs/dbraw/zinc/41/57/12/1071415712.db2.gz GDKLZQYZNFRGRZ-XYGWBWBKSA-N 0 0 501.652 6.375 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OCc1ccccc1 ZINC000408974080 1071445731 /nfs/dbraw/zinc/44/57/31/1071445731.db2.gz WXPYDKCKQLATIZ-UNOMPAQXSA-N 0 0 578.328 6.227 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971112 1071453153 /nfs/dbraw/zinc/45/31/53/1071453153.db2.gz MGSWSFDKPAXYAM-IUXPMGMMSA-N 0 0 743.088 8.130 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000408970793 1071454251 /nfs/dbraw/zinc/45/42/51/1071454251.db2.gz KKDITIONZSBQCS-STZFKDTASA-N 0 0 500.904 6.666 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970163 1071455890 /nfs/dbraw/zinc/45/58/90/1071455890.db2.gz BTPFRTXFDOTQPI-MOSHPQCFSA-N 0 0 546.299 6.285 40 10 KKCBRN O=C1/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969286 1071459492 /nfs/dbraw/zinc/45/94/92/1071459492.db2.gz KTBRPXYZFUGUJY-HFTWOUSFSA-N 0 0 533.553 8.160 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408975710 1071474712 /nfs/dbraw/zinc/47/47/12/1071474712.db2.gz CJTQYDHXSRMWRI-KFOJKGMOSA-N 0 0 622.722 5.438 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408976363 1071472503 /nfs/dbraw/zinc/47/25/03/1071472503.db2.gz FLDRBPJCDSCOLL-VSQRRKBNSA-N 0 0 634.758 5.307 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408975708 1071474657 /nfs/dbraw/zinc/47/46/57/1071474657.db2.gz CJTQYDHXSRMWRI-FVUNBJOLSA-N 0 0 622.722 5.438 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4cccc5cccnc54)o3)sc2=N1 ZINC000408987112 1071482392 /nfs/dbraw/zinc/48/23/92/1071482392.db2.gz AKCSGEWMEZUJOC-HVMUFXORSA-N 0 0 643.794 6.232 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1Br ZINC000408986973 1071483713 /nfs/dbraw/zinc/48/37/13/1071483713.db2.gz UCXYHLHDJQKMPX-LYBHJNIJSA-N 0 0 537.457 8.063 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408986182 1071493921 /nfs/dbraw/zinc/49/39/21/1071493921.db2.gz OJISHPBBUYUGIB-DFXMODJXSA-N 0 0 635.742 5.154 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000408985882 1071496957 /nfs/dbraw/zinc/49/69/57/1071496957.db2.gz NUVNMWPHACEESZ-RCCKNPSSSA-N 0 0 516.380 7.511 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3C)C2=O)cc1 ZINC000408984628 1071507056 /nfs/dbraw/zinc/50/70/56/1071507056.db2.gz IRXZBSXSYNAIMQ-LTGZKZEYSA-N 0 0 507.371 6.470 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408727101 1071513912 /nfs/dbraw/zinc/51/39/12/1071513912.db2.gz YKBYYSIETBNFOA-TWKHWXDSSA-N 0 0 613.626 7.227 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408983975 1071513983 /nfs/dbraw/zinc/51/39/83/1071513983.db2.gz LNAPTVBPLPXIBZ-JAYSWQADSA-N 0 0 566.510 5.513 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408726635 1071515078 /nfs/dbraw/zinc/51/50/78/1071515078.db2.gz UMRZVHFLZLPBHM-NJZRLIGZSA-N 0 0 617.101 8.363 40 10 KKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408726663 1071515093 /nfs/dbraw/zinc/51/50/93/1071515093.db2.gz USEAMFDLIYKGRP-XIEYBQDHSA-N 0 0 506.558 6.139 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)OC)ccc3C)C2=O)cc1Br ZINC000408983760 1071515051 /nfs/dbraw/zinc/51/50/51/1071515051.db2.gz CHQYKYOXCVNJSQ-HYARGMPZSA-N 0 0 518.407 6.414 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)SC(=S)N1Cc1ccccc1 ZINC000408726716 1071515961 /nfs/dbraw/zinc/51/59/61/1071515961.db2.gz SWUKSHJHXCDVAL-GMEOSHFQSA-N 0 0 500.432 7.516 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408726393 1071516837 /nfs/dbraw/zinc/51/68/37/1071516837.db2.gz NICUMPCFNMMPHA-XOBACGFXSA-N 0 0 572.539 5.574 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408983503 1071517119 /nfs/dbraw/zinc/51/71/19/1071517119.db2.gz KVAZRILKGJYWCP-CCORILLZSA-N 0 0 612.151 6.021 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408725937 1071518301 /nfs/dbraw/zinc/51/83/01/1071518301.db2.gz NFSQMOFCNBHHSQ-UHFFFAOYSA-N 0 0 583.109 7.293 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000408725829 1071518943 /nfs/dbraw/zinc/51/89/43/1071518943.db2.gz KYJBZAWRDFYJLF-PIXWUVMMSA-N 0 0 667.569 5.127 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(I)cc3)C2=O)cc1 ZINC000408724584 1071524041 /nfs/dbraw/zinc/52/40/41/1071524041.db2.gz FTHLKANLOJECAC-CPNJWEJPSA-N 0 0 507.397 5.243 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408724611 1071524102 /nfs/dbraw/zinc/52/41/02/1071524102.db2.gz GAZSIGFOTPRDAR-JMIUGGIZSA-N 0 0 513.553 5.256 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408724627 1071524165 /nfs/dbraw/zinc/52/41/65/1071524165.db2.gz COQRRFMSOVPOFP-TWKHWXDSSA-N 0 0 613.626 7.227 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408725198 1071521339 /nfs/dbraw/zinc/52/13/39/1071521339.db2.gz FXWMMKHKSGBNJW-YXDQGSNCSA-N 0 0 643.572 5.180 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408982275 1071526720 /nfs/dbraw/zinc/52/67/20/1071526720.db2.gz JJIFQMRURCHUBV-PLNPHXOGSA-N 0 0 608.163 6.305 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408981497 1071534987 /nfs/dbraw/zinc/53/49/87/1071534987.db2.gz IAOJUKQZGOHDII-SLDXWZKBSA-N 0 0 621.715 5.096 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980246 1071540360 /nfs/dbraw/zinc/54/03/60/1071540360.db2.gz FFBRHSLDCJOAIB-FUAQWRKOSA-N 0 0 633.770 5.669 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408718967 1071548035 /nfs/dbraw/zinc/54/80/35/1071548035.db2.gz YSEVAZJDLLPHRY-ASZNLBCTSA-N 0 0 711.476 5.968 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408978693 1071547564 /nfs/dbraw/zinc/54/75/64/1071547564.db2.gz ANKYERMFRUCULY-GOQPZEPVSA-N 0 0 647.753 5.138 40 10 KKCBRN O=C(c1ccccc1I)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000408719048 1071547733 /nfs/dbraw/zinc/54/77/33/1071547733.db2.gz HXSGFLWCPLWDHL-HMAPJEAMSA-N 0 0 551.430 6.639 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408995550 1071551023 /nfs/dbraw/zinc/55/10/23/1071551023.db2.gz AWIUGRNELAYURW-UQDCTOEPSA-N 0 0 609.670 5.623 40 10 KKCBRN Cc1cccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408994781 1071556746 /nfs/dbraw/zinc/55/67/46/1071556746.db2.gz JANSCOGNVATHHL-UHFFFAOYSA-N 0 0 527.649 6.746 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735615 1071560119 /nfs/dbraw/zinc/56/01/19/1071560119.db2.gz VBHZTUVMJKSZFB-JLKMOJGBSA-N 0 0 603.716 5.142 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408993568 1071564718 /nfs/dbraw/zinc/56/47/18/1071564718.db2.gz WGRXGLONMFXSQU-UHFFFAOYSA-N 0 0 748.267 9.010 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994001 1071561679 /nfs/dbraw/zinc/56/16/79/1071561679.db2.gz XZBUPNCMCQQISJ-MUUNZHRXSA-N 0 0 527.694 5.654 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408734455 1071566433 /nfs/dbraw/zinc/56/64/33/1071566433.db2.gz SBDQZWCLVJALTN-AIRUUBGTSA-N 0 0 634.596 5.215 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408993011 1071569057 /nfs/dbraw/zinc/56/90/57/1071569057.db2.gz UOENYZKTCQQJGS-QRRGNZNSSA-N 0 0 801.972 9.017 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408992354 1071572638 /nfs/dbraw/zinc/57/26/38/1071572638.db2.gz ANXKIJRFZHJRBT-PLNPHXOGSA-N 0 0 595.765 5.611 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992306 1071574119 /nfs/dbraw/zinc/57/41/19/1071574119.db2.gz RNSBYLMNAYSUGM-UHFFFAOYSA-N 0 0 810.766 10.280 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991681 1071579216 /nfs/dbraw/zinc/57/92/16/1071579216.db2.gz OWGYVLZLEQYCCT-TYHHXOOKSA-N 0 0 582.710 5.524 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000408991493 1071580196 /nfs/dbraw/zinc/58/01/96/1071580196.db2.gz XSCKLUZLSYEIPD-LCQSEVKBSA-N 0 0 560.119 5.556 40 10 KKCBRN Cc1cc(C)c(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c(C)c1 ZINC000408988616 1071603620 /nfs/dbraw/zinc/60/36/20/1071603620.db2.gz IOEYDALKNIWBCW-UHFFFAOYSA-N 0 0 532.665 6.939 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3ccccc3Cl)C=CC2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408727436 1071600979 /nfs/dbraw/zinc/60/09/79/1071600979.db2.gz WXWAZSDVQSEYQW-YPIYOXNISA-N 0 0 519.957 7.886 40 10 KKCBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(I)cc1 ZINC000408739820 1071601399 /nfs/dbraw/zinc/60/13/99/1071601399.db2.gz FWYXMCVLTIAKEF-WSDLNYQXSA-N 0 0 525.415 5.086 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(/C=c4\sc5n(c4=O)[C@H](c4ccc(N(C)C)cc4)C(C(=O)Nc4ccccc4)=C(C)N=5)o3)sc2c1 ZINC000408988737 1071602062 /nfs/dbraw/zinc/60/20/62/1071602062.db2.gz FSZBDSNWZITYEY-LLXISZFLSA-N 0 0 693.876 6.693 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738717 1071608304 /nfs/dbraw/zinc/60/83/04/1071608304.db2.gz NAWVSQWVLCUCMG-MDYVMDJYSA-N 0 0 694.835 6.664 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408988013 1071608771 /nfs/dbraw/zinc/60/87/71/1071608771.db2.gz QCZPCBAJAVHAMU-USDTVRPUSA-N 0 0 697.595 5.218 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408988012 1071608904 /nfs/dbraw/zinc/60/89/04/1071608904.db2.gz QCZPCBAJAVHAMU-PKYOQBLNSA-N 0 0 697.595 5.218 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Nc5ccccc5)cc4)C3=O)o2)cc1 ZINC000408987828 1071609145 /nfs/dbraw/zinc/60/91/45/1071609145.db2.gz YUTJVKPHTKIHCD-HPNDGRJYSA-N 0 0 538.603 7.948 40 10 KKCBRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988072 1071609178 /nfs/dbraw/zinc/60/91/78/1071609178.db2.gz CKXUOOJWINMNFJ-MKPDMIMOSA-N 0 0 745.864 7.784 40 10 KKCBRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988075 1071609196 /nfs/dbraw/zinc/60/91/96/1071609196.db2.gz CKXUOOJWINMNFJ-SVBPBHIXSA-N 0 0 745.864 7.784 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3I)C2=O)cc1 ZINC000408987853 1071609208 /nfs/dbraw/zinc/60/92/08/1071609208.db2.gz ZDSKODIJOXQLED-XDJHFCHBSA-N 0 0 527.789 6.815 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1 ZINC000408738287 1071609272 /nfs/dbraw/zinc/60/92/72/1071609272.db2.gz UEZSZLQQOQEDGX-PTGBLXJZSA-N 0 0 506.514 6.503 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408987727 1071610776 /nfs/dbraw/zinc/61/07/76/1071610776.db2.gz GKZOFMGYFGJXDZ-UHFFFAOYSA-N 0 0 659.635 8.871 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000408738034 1071611406 /nfs/dbraw/zinc/61/14/06/1071611406.db2.gz MFMMEMZACDXDBR-SFQUDFHCSA-N 0 0 527.234 9.032 40 10 KKCBRN O=C(CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408987588 1071612012 /nfs/dbraw/zinc/61/20/12/1071612012.db2.gz BISUINNJVKYAJN-UHFFFAOYSA-N 0 0 644.734 7.227 40 10 KKCBRN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)ccc1Cl ZINC000408737910 1071612041 /nfs/dbraw/zinc/61/20/41/1071612041.db2.gz JUIGDAZDVVTWTD-CPNJWEJPSA-N 0 0 550.825 8.165 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408744767 1071615392 /nfs/dbraw/zinc/61/53/92/1071615392.db2.gz ZZIGDMAWEPORJZ-UHFFFAOYSA-N 0 0 535.625 5.629 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408996778 1071616446 /nfs/dbraw/zinc/61/64/46/1071616446.db2.gz NCLGZGGRKUQRRC-RCCKNPSSSA-N 0 0 537.866 7.550 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1 ZINC000408996777 1071616482 /nfs/dbraw/zinc/61/64/82/1071616482.db2.gz DYTJSGRJZOYJDH-PVTPYKNESA-N 0 0 532.731 6.932 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(OC)c(OC(C)=O)c(Br)c3Br)C(=O)O2)cc1 ZINC000408744208 1071616727 /nfs/dbraw/zinc/61/67/27/1071616727.db2.gz XJCKXGPIOHMGHC-RIYZIHGNSA-N 0 0 524.161 5.135 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996684 1071617382 /nfs/dbraw/zinc/61/73/82/1071617382.db2.gz MMEAUUCROSRXCD-FUAQWRKOSA-N 0 0 636.217 7.120 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c(Br)c(Br)c1OC(C)=O ZINC000408742945 1071620120 /nfs/dbraw/zinc/62/01/20/1071620120.db2.gz QSYZOTSUJCXKHE-NTUHNPAUSA-N 0 0 573.031 5.889 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Br)cc1 ZINC000408742519 1071620612 /nfs/dbraw/zinc/62/06/12/1071620612.db2.gz PMCFBWLVQBAUHZ-DEDYPNTBSA-N 0 0 556.250 7.171 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1ccccc1 ZINC000408744351 1071616019 /nfs/dbraw/zinc/61/60/19/1071616019.db2.gz XYVQOYRKLVTGSZ-UDWIEESQSA-N 0 0 511.799 7.062 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409005937 1071627046 /nfs/dbraw/zinc/62/70/46/1071627046.db2.gz GORZCUOMBWFDPH-JLKMOJGBSA-N 0 0 569.727 5.221 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408741971 1071622817 /nfs/dbraw/zinc/62/28/17/1071622817.db2.gz MERUCZVFJNYAIW-LPYMAVHISA-N 0 0 547.832 7.825 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409006208 1071625608 /nfs/dbraw/zinc/62/56/08/1071625608.db2.gz HWNHYWIWSSNIBV-TURZUDJPSA-N 0 0 605.716 6.386 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408741380 1071625593 /nfs/dbraw/zinc/62/55/93/1071625593.db2.gz IMHSMZUARMMAMF-VCHYOVAHSA-N 0 0 623.668 7.276 40 10 KKCBRN CC(=O)Oc1c(I)cc(Br)cc1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O ZINC000408741392 1071625710 /nfs/dbraw/zinc/62/57/10/1071625710.db2.gz IPNONJZRMLTVJF-MLPAPPSSSA-N 0 0 545.554 5.614 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000409005375 1071629694 /nfs/dbraw/zinc/62/96/94/1071629694.db2.gz ZPTMWMBBJIPZPE-JLPGSUDCSA-N 0 0 502.954 5.235 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409005084 1071630696 /nfs/dbraw/zinc/63/06/96/1071630696.db2.gz CMASGRAZIBSMBB-UHFFFAOYSA-N 0 0 546.479 7.149 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Br)cc1 ZINC000408756099 1071639400 /nfs/dbraw/zinc/63/94/00/1071639400.db2.gz XNLACBVSDXIKJT-LPYMAVHISA-N 0 0 516.222 6.989 40 10 KKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408756713 1071636025 /nfs/dbraw/zinc/63/60/25/1071636025.db2.gz WUJJYHWUYKQRKB-KGENOOAVSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409003372 1071637196 /nfs/dbraw/zinc/63/71/96/1071637196.db2.gz ZRKAARRJKJFCOM-BFOKUZPWSA-N 0 0 562.695 5.013 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001862 1071642936 /nfs/dbraw/zinc/64/29/36/1071642936.db2.gz XAQBRWTUUMXXFM-ZZNJGUQESA-N 0 0 628.754 7.180 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409001889 1071642998 /nfs/dbraw/zinc/64/29/98/1071642998.db2.gz XKKWPOMKEMAFJL-LLXISZFLSA-N 0 0 624.162 6.005 40 10 KKCBRN O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409001775 1071643973 /nfs/dbraw/zinc/64/39/73/1071643973.db2.gz KHRHFYUNMZVJGP-GQWACYRSSA-N 0 0 584.676 8.157 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408754802 1071648799 /nfs/dbraw/zinc/64/87/99/1071648799.db2.gz IQPCQCUWNGKZMF-QZVQSRICSA-N 0 0 654.188 6.014 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000207 1071651527 /nfs/dbraw/zinc/65/15/27/1071651527.db2.gz MWEQDFDKTDUZOD-PLNPHXOGSA-N 0 0 634.714 5.260 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409000186 1071651569 /nfs/dbraw/zinc/65/15/69/1071651569.db2.gz DZBUMAVDKKIXPA-KQWNVCNZSA-N 0 0 539.459 7.067 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408753930 1071653893 /nfs/dbraw/zinc/65/38/93/1071653893.db2.gz OQEOGAGCAALAAW-ODLFYWEKSA-N 0 0 533.412 5.521 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408999089 1071656370 /nfs/dbraw/zinc/65/63/70/1071656370.db2.gz JZUHRYYABWFSHU-ITYLOYPMSA-N 0 0 513.590 5.198 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408998945 1071656391 /nfs/dbraw/zinc/65/63/91/1071656391.db2.gz JNYKAMJOWZEGPW-MFISQUFLSA-N 0 0 539.701 5.131 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CNC(=O)C(=O)Nc4ccc(Cl)c(Cl)c4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409016743 1071666010 /nfs/dbraw/zinc/66/60/10/1071666010.db2.gz VNZBYVPDRBOCFG-HYARGMPZSA-N 0 0 598.439 5.117 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409016180 1071668839 /nfs/dbraw/zinc/66/88/39/1071668839.db2.gz UXDZVTIVGSZXKB-UXHLAJHPSA-N 0 0 665.595 7.472 40 10 KKCBRN COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1 ZINC000408751886 1071667221 /nfs/dbraw/zinc/66/72/21/1071667221.db2.gz DLVZEARXSLTATN-XDHOZWIPSA-N 0 0 510.373 6.269 40 10 KKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000409016498 1071667752 /nfs/dbraw/zinc/66/77/52/1071667752.db2.gz CVFNASYNQQDVJC-GMJSKMFWSA-N 0 0 536.566 6.538 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409016494 1071667821 /nfs/dbraw/zinc/66/78/21/1071667821.db2.gz JOSXHXVJYARJHU-YUEMOGKHSA-N 0 0 615.799 6.775 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409016370 1071668322 /nfs/dbraw/zinc/66/83/22/1071668322.db2.gz HTAVTQQHRVAHIQ-BUELQQIUSA-N 0 0 648.829 6.214 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409014173 1071677245 /nfs/dbraw/zinc/67/72/45/1071677245.db2.gz GALYDQIYYADNAZ-MUFRIFMGSA-N 0 0 706.431 8.162 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013317 1071680894 /nfs/dbraw/zinc/68/08/94/1071680894.db2.gz UJFHGBNTZOFPSP-AJBULDERSA-N 0 0 612.704 5.865 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013447 1071680438 /nfs/dbraw/zinc/68/04/38/1071680438.db2.gz NJAJGNYUBIEKFK-USHMODERSA-N 0 0 540.088 6.978 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012684 1071683071 /nfs/dbraw/zinc/68/30/71/1071683071.db2.gz LDCGCSRKOIQEAS-UXHLAJHPSA-N 0 0 597.693 5.247 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012603 1071683437 /nfs/dbraw/zinc/68/34/37/1071683437.db2.gz QUXSMYXOHATZEA-WPWMEQJKSA-N 0 0 671.986 7.508 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011652 1071686847 /nfs/dbraw/zinc/68/68/47/1071686847.db2.gz GZCBPEJRIRIKGY-SFQUDFHCSA-N 0 0 550.261 6.580 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012402 1071684081 /nfs/dbraw/zinc/68/40/81/1071684081.db2.gz JUWYFRCMAJJEKS-NDZAJKAJSA-N 0 0 623.171 6.638 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409010397 1071692206 /nfs/dbraw/zinc/69/22/06/1071692206.db2.gz DRJXPNOEGPAKAS-ZMOGYAJESA-N 0 0 582.440 5.335 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010265 1071693183 /nfs/dbraw/zinc/69/31/83/1071693183.db2.gz BJZUNTLBVCFOOU-NDZAJKAJSA-N 0 0 623.171 6.638 40 10 KKCBRN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409007411 1071702993 /nfs/dbraw/zinc/70/29/93/1071702993.db2.gz PYEQMMMMKBEPRU-IUXPMGMMSA-N 0 0 530.271 5.811 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409007553 1071703013 /nfs/dbraw/zinc/70/30/13/1071703013.db2.gz PCUXCKZLSYLURI-UHFFFAOYSA-N 0 0 505.643 6.459 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)NC1=S ZINC000409008404 1071699359 /nfs/dbraw/zinc/69/93/59/1071699359.db2.gz XZUICKIMWRGOFG-SXGWCWSVSA-N 0 0 514.214 5.007 40 10 KKCBRN CCCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409008672 1071699467 /nfs/dbraw/zinc/69/94/67/1071699467.db2.gz ZQIGZVOJJDPNCX-VFCFBJKWSA-N 0 0 520.654 6.994 40 10 KKCBRN COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Oc1nc(Cl)ncc1F ZINC000409008352 1071700324 /nfs/dbraw/zinc/70/03/24/1071700324.db2.gz WITFKMHPYZZJEA-HMAPJEAMSA-N 0 0 589.048 6.435 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)SC1=S ZINC000409008244 1071700429 /nfs/dbraw/zinc/70/04/29/1071700429.db2.gz XCINJFZBGYIBAU-WSVATBPTSA-N 0 0 533.296 6.565 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000409008315 1071700449 /nfs/dbraw/zinc/70/04/49/1071700449.db2.gz VRYPAJIDDPYYET-COEJQBHMSA-N 0 0 575.690 6.378 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409017209 1071704016 /nfs/dbraw/zinc/70/40/16/1071704016.db2.gz XUKAFFFLKDKDHJ-GSFJQCGGSA-N 0 0 632.786 5.418 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409008081 1071701708 /nfs/dbraw/zinc/70/17/08/1071701708.db2.gz SWHUGIKZOKDRQQ-ZTKZIYFRSA-N 0 0 619.743 6.776 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408759222 1071702103 /nfs/dbraw/zinc/70/21/03/1071702103.db2.gz ZZPMYZOAZQTEOU-XKZIYDEJSA-N 0 0 572.424 5.529 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409023945 1071713706 /nfs/dbraw/zinc/71/37/06/1071713706.db2.gz OAGDEAMSRWXTBE-AOFXREQWSA-N 0 0 581.782 6.418 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=S ZINC000409023802 1071714138 /nfs/dbraw/zinc/71/41/38/1071714138.db2.gz QLPCRPODIZKROK-SXBRIOAWSA-N 0 0 602.159 8.418 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023763 1071714152 /nfs/dbraw/zinc/71/41/52/1071714152.db2.gz OXYJXFIYSGGEDZ-VPHSIRQSSA-N 0 0 649.611 5.043 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409021922 1071720971 /nfs/dbraw/zinc/72/09/71/1071720971.db2.gz FSVLJZDHQDVQFN-FOQAXWDGSA-N 0 0 677.823 6.243 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409022629 1071718551 /nfs/dbraw/zinc/71/85/51/1071718551.db2.gz DPUMJHMPJVFBEH-FVUNBJOLSA-N 0 0 657.789 5.098 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409021685 1071721360 /nfs/dbraw/zinc/72/13/60/1071721360.db2.gz TXAWHMLNLCBYQF-NULZLWRNSA-N 0 0 615.777 5.023 40 10 KKCBRN COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)c1 ZINC000408766480 1071719514 /nfs/dbraw/zinc/71/95/14/1071719514.db2.gz RINWQJAYDZPURE-DEDYPNTBSA-N 0 0 523.839 7.160 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409021238 1071723145 /nfs/dbraw/zinc/72/31/45/1071723145.db2.gz ZJIKZGSVDRDQNL-CPNJWEJPSA-N 0 0 503.432 6.301 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409021367 1071724042 /nfs/dbraw/zinc/72/40/42/1071724042.db2.gz DKUDRBVGRLSGRD-FZEVDNDPSA-N 0 0 692.632 5.460 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 ZINC000408765570 1071724185 /nfs/dbraw/zinc/72/41/85/1071724185.db2.gz MIKPPSAOEIYHGS-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409021209 1071724411 /nfs/dbraw/zinc/72/44/11/1071724411.db2.gz ZCOWFHRUBALYTG-PCLIKHOPSA-N 0 0 557.075 5.805 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020897 1071725297 /nfs/dbraw/zinc/72/52/97/1071725297.db2.gz VJJCFRJFKJUULI-BUVRLJJBSA-N 0 0 506.071 6.236 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 ZINC000408765091 1071725509 /nfs/dbraw/zinc/72/55/09/1071725509.db2.gz WHKCPVSVQRFEAR-RGVLZGJSSA-N 0 0 506.614 7.244 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409020673 1071725647 /nfs/dbraw/zinc/72/56/47/1071725647.db2.gz RXWNZXWDSLGVNA-HAHDFKILSA-N 0 0 509.433 6.316 40 10 KKCBRN COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409019981 1071727975 /nfs/dbraw/zinc/72/79/75/1071727975.db2.gz LEYAMSMDOFWNQF-UHFFFAOYSA-N 0 0 545.632 5.400 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020031 1071728289 /nfs/dbraw/zinc/72/82/89/1071728289.db2.gz LOFXMZODPVIYJC-RDRPBHBLSA-N 0 0 651.568 7.163 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409019469 1071730533 /nfs/dbraw/zinc/73/05/33/1071730533.db2.gz ZGNCELKOCRAWRY-ZCTHSVRISA-N 0 0 631.150 6.818 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409018749 1071732164 /nfs/dbraw/zinc/73/21/64/1071732164.db2.gz YZIJMWLYRSKTNP-QRVIBDJDSA-N 0 0 525.432 6.282 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408762326 1071736385 /nfs/dbraw/zinc/73/63/85/1071736385.db2.gz OBNJSJYXAHLUJC-FYJGNVAPSA-N 0 0 553.384 5.541 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409018299 1071733518 /nfs/dbraw/zinc/73/35/18/1071733518.db2.gz TZGMUJHEBBGJRM-ITYLOYPMSA-N 0 0 513.590 5.198 40 10 KKCBRN COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408761566 1071739485 /nfs/dbraw/zinc/73/94/85/1071739485.db2.gz GTECQRICPKKOQI-XSFVSMFZSA-N 0 0 523.839 7.160 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC1=S ZINC000409036562 1071740754 /nfs/dbraw/zinc/74/07/54/1071740754.db2.gz LPWPYVQHKZUNSO-QRVIBDJDSA-N 0 0 512.494 7.039 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408770427 1071743368 /nfs/dbraw/zinc/74/33/68/1071743368.db2.gz XJVFNCDRJAYIQM-YIDORKBYSA-N 0 0 642.608 7.050 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409036833 1071740813 /nfs/dbraw/zinc/74/08/13/1071740813.db2.gz BSNKBRFLJUHCIY-WOJGMQOQSA-N 0 0 574.347 7.262 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409036489 1071741935 /nfs/dbraw/zinc/74/19/35/1071741935.db2.gz LJCZLWIQLZNJAH-ASZNLBCTSA-N 0 0 625.147 5.139 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408776932 1071747534 /nfs/dbraw/zinc/74/75/34/1071747534.db2.gz SFVUFKWEGLJYOS-OYKKKHCWSA-N 0 0 520.944 5.374 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036405 1071744295 /nfs/dbraw/zinc/74/42/95/1071744295.db2.gz LDALYRDVEMVPJU-BPOMCQNBSA-N 0 0 669.844 6.019 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)c1 ZINC000408769971 1071744783 /nfs/dbraw/zinc/74/47/83/1071744783.db2.gz RFWRSDOXNUALMO-WOSHRIRTSA-N 0 0 700.602 5.895 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408776056 1071751911 /nfs/dbraw/zinc/75/19/11/1071751911.db2.gz MUYFBJRKMWMGNV-JLPGSUDCSA-N 0 0 547.405 5.344 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccccc2F)c2ccccc12 ZINC000409035275 1071751992 /nfs/dbraw/zinc/75/19/92/1071751992.db2.gz JLYNHHNSLBXTAO-XDHOZWIPSA-N 0 0 542.504 7.773 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(C)C ZINC000409035171 1071753465 /nfs/dbraw/zinc/75/34/65/1071753465.db2.gz OWTKNNGQASNACT-WZUFQYTHSA-N 0 0 568.134 6.500 40 10 KKCBRN COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br ZINC000409034557 1071758490 /nfs/dbraw/zinc/75/84/90/1071758490.db2.gz OFKMHCYFFCSXBA-FPYGCLRLSA-N 0 0 540.080 5.722 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(C)c1 ZINC000409033792 1071765085 /nfs/dbraw/zinc/76/50/85/1071765085.db2.gz LTGLBEMGXAFFKK-RQZCQDPDSA-N 0 0 550.911 7.128 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408772976 1071770525 /nfs/dbraw/zinc/77/05/25/1071770525.db2.gz ONJUBQBKGZMOFO-UHFFFAOYSA-N 0 0 601.444 6.591 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033507 1071768404 /nfs/dbraw/zinc/76/84/04/1071768404.db2.gz FIDMEOAJLWNVSG-YPHGCRDPSA-N 0 0 760.740 7.887 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000409032996 1071774822 /nfs/dbraw/zinc/77/48/22/1071774822.db2.gz DBNVUPZOJDDZFJ-ZDLGFXPLSA-N 0 0 560.320 6.954 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000409033017 1071774844 /nfs/dbraw/zinc/77/48/44/1071774844.db2.gz DDVKRCNGILDTGE-FVJLIQDKSA-N 0 0 631.798 6.660 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032394 1071780013 /nfs/dbraw/zinc/78/00/13/1071780013.db2.gz CYOBGOOJEZEMOF-TZUCAZQYSA-N 0 0 620.171 5.655 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408771825 1071778379 /nfs/dbraw/zinc/77/83/79/1071778379.db2.gz KJOCNOCXONYMIW-YMHPNNOZSA-N 0 0 524.617 5.377 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCc2ccccc2)c1 ZINC000409032538 1071779168 /nfs/dbraw/zinc/77/91/68/1071779168.db2.gz CLLMGUMGQHNZAP-MOSHPQCFSA-N 0 0 529.509 6.613 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409031829 1071785503 /nfs/dbraw/zinc/78/55/03/1071785503.db2.gz BPAMOCLSYRVRDN-CHHVJCJISA-N 0 0 561.721 7.727 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000409031973 1071784046 /nfs/dbraw/zinc/78/40/46/1071784046.db2.gz BUSITZBOLXENDA-LCQSEVKBSA-N 0 0 642.616 5.204 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccccc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408770264 1071784954 /nfs/dbraw/zinc/78/49/54/1071784954.db2.gz VKAHSMNYVJGANR-AOFXREQWSA-N 0 0 543.692 5.735 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(I)cc1 ZINC000409031356 1071788650 /nfs/dbraw/zinc/78/86/50/1071788650.db2.gz ATIYVQPSKSKUAB-VIZOYTHASA-N 0 0 693.204 7.143 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)c1 ZINC000408769896 1071789792 /nfs/dbraw/zinc/78/97/92/1071789792.db2.gz QICCQAMKMVLGAJ-WOSHRIRTSA-N 0 0 619.703 5.198 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409030961 1071793582 /nfs/dbraw/zinc/79/35/82/1071793582.db2.gz FWDXZDSMLCMTFO-NVMNQCDNSA-N 0 0 559.320 6.787 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c2n1Cc1ccc(Cl)cc1Cl ZINC000409030813 1071794709 /nfs/dbraw/zinc/79/47/09/1071794709.db2.gz FJLDZNPIQPHSOD-VCHYOVAHSA-N 0 0 578.368 8.115 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409029937 1071803208 /nfs/dbraw/zinc/80/32/08/1071803208.db2.gz DFAYJAKPVFFELW-LXKZMGPHSA-N 0 0 666.243 7.315 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408782173 1071813193 /nfs/dbraw/zinc/81/31/93/1071813193.db2.gz IHIWBQUBIOEWLF-GCJLDAJHSA-N 0 0 604.663 6.196 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409037447 1071822284 /nfs/dbraw/zinc/82/22/84/1071822284.db2.gz CMECUDCXNOWKIX-OVCLIPMQSA-N 0 0 582.279 6.438 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409046954 1071826953 /nfs/dbraw/zinc/82/69/53/1071826953.db2.gz SPIFKXVWHRFKPK-GIJQJNRQSA-N 0 0 577.336 8.227 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OCC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000409045557 1071825080 /nfs/dbraw/zinc/82/50/80/1071825080.db2.gz PYJUFUKYJOKLJY-OGMUYLFESA-N 0 0 627.763 5.170 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000409046613 1071831480 /nfs/dbraw/zinc/83/14/80/1071831480.db2.gz RVKOTRILWJSWLW-ABBNRAPFSA-N 0 0 568.139 5.087 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409046219 1071833397 /nfs/dbraw/zinc/83/33/97/1071833397.db2.gz JQZAWMSDYABEIE-UHFFFAOYSA-N 0 0 640.490 6.367 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000408778850 1071835233 /nfs/dbraw/zinc/83/52/33/1071835233.db2.gz MNNJUUQHJVGYCC-IWIPYMOSSA-N 0 0 519.439 6.351 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c2n1Cc1ccccc1Cl ZINC000409045981 1071836599 /nfs/dbraw/zinc/83/65/99/1071836599.db2.gz QOOSTJKHNSNIEE-RGVLZGJSSA-N 0 0 507.943 7.183 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408778546 1071836995 /nfs/dbraw/zinc/83/69/95/1071836995.db2.gz GYHIYTKMQJIQHN-SOOGQRQDSA-N 0 0 653.779 7.149 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)S2)cc1 ZINC000408778331 1071837823 /nfs/dbraw/zinc/83/78/23/1071837823.db2.gz DSUXKHYNUZECPL-OKMHPQNISA-N 0 0 578.565 8.142 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408778424 1071838319 /nfs/dbraw/zinc/83/83/19/1071838319.db2.gz ULKFSJGJQREMPO-UHFFFAOYSA-N 0 0 643.612 7.286 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408777496 1071843211 /nfs/dbraw/zinc/84/32/11/1071843211.db2.gz ASNGIUBDCQBZCE-UHFFFAOYSA-N 0 0 662.609 8.184 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000409044762 1071845518 /nfs/dbraw/zinc/84/55/18/1071845518.db2.gz OZXLXAHFVHXLPJ-MLPAPPSSSA-N 0 0 600.269 6.577 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1 ZINC000409044062 1071852432 /nfs/dbraw/zinc/85/24/32/1071852432.db2.gz NQOWKGUYLINHCT-SXGWCWSVSA-N 0 0 614.308 6.380 40 10 KKCBRN CCCOc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409043870 1071853041 /nfs/dbraw/zinc/85/30/41/1071853041.db2.gz BATHMXWEQDYXAV-UHFFFAOYSA-N 0 0 584.264 6.584 40 10 KKCBRN CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409043220 1071861802 /nfs/dbraw/zinc/86/18/02/1071861802.db2.gz YHLBLDDIOVNBQA-JYRVWZFOSA-N 0 0 547.318 6.528 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000408784473 1071864150 /nfs/dbraw/zinc/86/41/50/1071864150.db2.gz CIYSWYOIMWLUMX-XYGWBWBKSA-N 0 0 535.438 6.133 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409042788 1071866236 /nfs/dbraw/zinc/86/62/36/1071866236.db2.gz CRWGQQBOLAPVHM-GHXNOFRVSA-N 0 0 542.214 6.119 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408783693 1071867542 /nfs/dbraw/zinc/86/75/42/1071867542.db2.gz ONYOKVIRXCFJSZ-IWIPYMOSSA-N 0 0 505.412 6.124 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408797143 1071876242 /nfs/dbraw/zinc/87/62/42/1071876242.db2.gz BJROIMZKXGEIFU-HQFUJQQPSA-N 0 0 520.722 8.301 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000409040982 1071884655 /nfs/dbraw/zinc/88/46/55/1071884655.db2.gz IVVCVLQZAWNSJX-RIYZIHGNSA-N 0 0 602.272 6.511 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000409041540 1071878154 /nfs/dbraw/zinc/87/81/54/1071878154.db2.gz WDEXORNRPGHEPV-MKMNVTDBSA-N 0 0 572.273 6.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409041610 1071878897 /nfs/dbraw/zinc/87/88/97/1071878897.db2.gz AUFHYIKOZFHZAK-MTJSOVHGSA-N 0 0 520.514 6.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040763 1071888091 /nfs/dbraw/zinc/88/80/91/1071888091.db2.gz IFHLHTVKZKESGP-GQFYKFLTSA-N 0 0 661.824 6.669 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040766 1071888116 /nfs/dbraw/zinc/88/81/16/1071888116.db2.gz IFHLHTVKZKESGP-NSFGRKQPSA-N 0 0 661.824 6.669 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040112 1071892404 /nfs/dbraw/zinc/89/24/04/1071892404.db2.gz XRYVPKWBHUYZEN-CQZLRFLNSA-N 0 0 760.740 7.887 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409039858 1071895238 /nfs/dbraw/zinc/89/52/38/1071895238.db2.gz WZVDGINRMGARHK-LPYMAVHISA-N 0 0 598.553 7.655 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409039495 1071897513 /nfs/dbraw/zinc/89/75/13/1071897513.db2.gz WRVAPHMWWBGPKS-FQKMCRJQSA-N 0 0 637.543 5.119 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409038939 1071902952 /nfs/dbraw/zinc/90/29/52/1071902952.db2.gz WEKDVMOHUBZOLX-MFOYZWKCSA-N 0 0 688.241 7.469 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038535 1071907923 /nfs/dbraw/zinc/90/79/23/1071907923.db2.gz PAEYMGZXPJKHLM-STOXBUQISA-N 0 0 704.289 6.673 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409038365 1071909013 /nfs/dbraw/zinc/90/90/13/1071909013.db2.gz VBTARCIMMHFVRR-BJMVGYQFSA-N 0 0 505.237 5.358 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049535 1071913447 /nfs/dbraw/zinc/91/34/47/1071913447.db2.gz WDQYNFLRYRNXLV-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409047431 1071915557 /nfs/dbraw/zinc/91/55/57/1071915557.db2.gz UJANJHRKQDVKNT-LZYBPNLTSA-N 0 0 626.332 6.837 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409054465 1071917296 /nfs/dbraw/zinc/91/72/96/1071917296.db2.gz AGGMNXDPDYNOLG-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409057178 1071917586 /nfs/dbraw/zinc/91/75/86/1071917586.db2.gz JMLPOKJTIXAVPT-MYYYXRDXSA-N 0 0 505.014 6.332 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409056878 1071918204 /nfs/dbraw/zinc/91/82/04/1071918204.db2.gz FAXDUKLZHWFHCU-UCQKPKSFSA-N 0 0 505.014 6.250 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409055471 1071927402 /nfs/dbraw/zinc/92/74/02/1071927402.db2.gz CDKGBYJXWUZFDC-NHDPSOOVSA-N 0 0 529.851 7.240 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409055847 1071924731 /nfs/dbraw/zinc/92/47/31/1071924731.db2.gz LCISWUUZPQINAC-MTJSOVHGSA-N 0 0 541.431 6.295 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409055203 1071929579 /nfs/dbraw/zinc/92/95/79/1071929579.db2.gz DHLVWDBUDWZFPK-LHUFKXPTSA-N 0 0 577.750 5.659 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409055238 1071930051 /nfs/dbraw/zinc/93/00/51/1071930051.db2.gz KPEYBPPJHQEGTO-QRVIBDJDSA-N 0 0 514.931 6.644 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409054687 1071932143 /nfs/dbraw/zinc/93/21/43/1071932143.db2.gz VMPQPEINNYHVPV-QRVIBDJDSA-N 0 0 585.501 6.655 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409053625 1071939806 /nfs/dbraw/zinc/93/98/06/1071939806.db2.gz GOUUGCAMAUFKRS-JLPGSUDCSA-N 0 0 565.066 5.689 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409053981 1071935712 /nfs/dbraw/zinc/93/57/12/1071935712.db2.gz KZSNLNIKEPLRIT-RMNLPTLGSA-N 0 0 557.760 5.611 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409052792 1071943304 /nfs/dbraw/zinc/94/33/04/1071943304.db2.gz ICYICJCUYKAHAI-QRVIBDJDSA-N 0 0 555.475 6.646 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409051133 1071954138 /nfs/dbraw/zinc/95/41/38/1071954138.db2.gz ALTHICHSGRKVPW-CBPRFPNYSA-N 0 0 658.618 5.697 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(F)c3)SC2=S)cc1 ZINC000409051473 1071950829 /nfs/dbraw/zinc/95/08/29/1071950829.db2.gz DFONPOBHEVPZTJ-QRVIBDJDSA-N 0 0 528.468 6.877 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1 ZINC000409049890 1071961101 /nfs/dbraw/zinc/96/11/01/1071961101.db2.gz RFNSNGLAUXCZQB-GZTJUZNOSA-N 0 0 502.439 6.166 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049798 1071962320 /nfs/dbraw/zinc/96/23/20/1071962320.db2.gz XLTWZLWAMHFHEH-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409059231 1071981550 /nfs/dbraw/zinc/98/15/50/1071981550.db2.gz VPBZDEFWIVPNTN-NSQMGQQPSA-N 0 0 576.766 5.906 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409059234 1071981735 /nfs/dbraw/zinc/98/17/35/1071981735.db2.gz VPBZDEFWIVPNTN-OUXZYKPHSA-N 0 0 576.766 5.906 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409058263 1071988712 /nfs/dbraw/zinc/98/87/12/1071988712.db2.gz KCKSYFTVVAPBIC-RYOBIWAXSA-N 0 0 624.601 5.340 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409066982 1071999255 /nfs/dbraw/zinc/99/92/55/1071999255.db2.gz INPORZVMOURPAW-LHMNITIUSA-N 0 0 595.765 5.649 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409064385 1072015491 /nfs/dbraw/zinc/01/54/91/1072015491.db2.gz CGCFSEVHNFLUQB-MYYYXRDXSA-N 0 0 533.024 6.110 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409064367 1072015639 /nfs/dbraw/zinc/01/56/39/1072015639.db2.gz CDJAOFVMCZYNLQ-HAHDFKILSA-N 0 0 515.562 5.169 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409064108 1072018027 /nfs/dbraw/zinc/01/80/27/1072018027.db2.gz BQEMRJARHABJOP-UVHMKAGCSA-N 0 0 566.872 7.731 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409063534 1072021100 /nfs/dbraw/zinc/02/11/00/1072021100.db2.gz MGECPZMHVLTSND-PRLWALMFSA-N 0 0 620.569 5.367 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409063353 1072021618 /nfs/dbraw/zinc/02/16/18/1072021618.db2.gz AHJUYCIYZXVZDD-UHFFFAOYSA-N 0 0 593.444 6.345 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409062451 1072024396 /nfs/dbraw/zinc/02/43/96/1072024396.db2.gz VDXKKVFCAUBIQZ-ZEZCTPEWSA-N 0 0 595.790 5.566 40 10 KKCBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409062260 1072024855 /nfs/dbraw/zinc/02/48/55/1072024855.db2.gz QXROVQVPZGDEIG-FMCGGJTJSA-N 0 0 544.460 5.557 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409061903 1072026902 /nfs/dbraw/zinc/02/69/02/1072026902.db2.gz JVOGTUYYMWUDCB-NDENLUEZSA-N 0 0 529.851 7.240 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409061633 1072028291 /nfs/dbraw/zinc/02/82/91/1072028291.db2.gz YUDYMUZEERHKMV-XKZIYDEJSA-N 0 0 511.405 6.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409059829 1072037515 /nfs/dbraw/zinc/03/75/15/1072037515.db2.gz XQNDDBUVTGHPOS-QRVIBDJDSA-N 0 0 541.050 6.546 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409059768 1072039436 /nfs/dbraw/zinc/03/94/36/1072039436.db2.gz ODMMVDUPMFMQEW-HMAPJEAMSA-N 0 0 521.013 5.950 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409076326 1072052320 /nfs/dbraw/zinc/05/23/20/1072052320.db2.gz ASIABCKFQUWSQA-UZQMFHLOSA-N 0 0 615.942 6.303 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409075327 1072061656 /nfs/dbraw/zinc/06/16/56/1072061656.db2.gz YUVILSDPYUDTSI-NHDPSOOVSA-N 0 0 549.376 7.297 40 10 KKCBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409072809 1072079442 /nfs/dbraw/zinc/07/94/42/1072079442.db2.gz SPPCAKYNHXIOBH-UCQKPKSFSA-N 0 0 554.466 5.013 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409072777 1072079487 /nfs/dbraw/zinc/07/94/87/1072079487.db2.gz SKIDSEOSOSCLPH-OYKKKHCWSA-N 0 0 553.884 7.086 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072779 1072079495 /nfs/dbraw/zinc/07/94/95/1072079495.db2.gz KZJJGQRHOGXDQN-KGENOOAVSA-N 0 0 531.815 5.676 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409072670 1072080908 /nfs/dbraw/zinc/08/09/08/1072080908.db2.gz RPBMLARDECIBBI-ONUIUJJFSA-N 0 0 512.606 5.881 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070230 1072097070 /nfs/dbraw/zinc/09/70/70/1072097070.db2.gz YFRBQQDBKSPKMC-UHFFFAOYSA-N 0 0 589.025 5.700 40 10 KKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409069728 1072099748 /nfs/dbraw/zinc/09/97/48/1072099748.db2.gz VVYIVQOOJTWZLI-OEAKJJBVSA-N 0 0 511.441 6.492 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409069340 1072104295 /nfs/dbraw/zinc/10/42/95/1072104295.db2.gz XHXIOBDTKCLXCI-UHFFFAOYSA-N 0 0 558.999 5.691 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069110 1072107288 /nfs/dbraw/zinc/10/72/88/1072107288.db2.gz CBGFNJKYSKVBAE-UDWIEESQSA-N 0 0 608.841 5.527 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068807 1072109325 /nfs/dbraw/zinc/10/93/25/1072109325.db2.gz WEIHOJXPWFYPHV-UDWIEESQSA-N 0 0 610.711 6.439 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080657 1072119652 /nfs/dbraw/zinc/11/96/52/1072119652.db2.gz MDZBJWLBOBDSNV-BWAHOGKJSA-N 0 0 549.435 6.596 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080202 1072126913 /nfs/dbraw/zinc/12/69/13/1072126913.db2.gz MUPQMUFIGPPEOH-XYGWBWBKSA-N 0 0 578.293 8.169 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409080209 1072126958 /nfs/dbraw/zinc/12/69/58/1072126958.db2.gz MWJRNEANVYTNEO-SXOHWRJOSA-N 0 0 503.476 6.377 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409078986 1072139947 /nfs/dbraw/zinc/13/99/47/1072139947.db2.gz JYOOEVZCVIIKLM-ONUIUJJFSA-N 0 0 645.453 7.012 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079340 1072133585 /nfs/dbraw/zinc/13/35/85/1072133585.db2.gz JKAUYYRSPCHFKH-LELXDKESSA-N 0 0 524.889 6.062 40 10 KKCBRN CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409078269 1072147315 /nfs/dbraw/zinc/14/73/15/1072147315.db2.gz BKRKBUGQWDDKME-QNGOZBTKSA-N 0 0 540.255 6.835 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409077967 1072150595 /nfs/dbraw/zinc/15/05/95/1072150595.db2.gz GVXQCJMVDSNUPC-JLPGSUDCSA-N 0 0 529.423 7.416 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409077467 1072154221 /nfs/dbraw/zinc/15/42/21/1072154221.db2.gz FJAPVJKLEVDHCE-BCUAHEQISA-N 0 0 571.889 5.904 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409086188 1072170834 /nfs/dbraw/zinc/17/08/34/1072170834.db2.gz GHYFYRTWCOAMBW-FSPONLMBSA-N 0 0 673.666 6.980 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409086046 1072172129 /nfs/dbraw/zinc/17/21/29/1072172129.db2.gz YCAMXOZDHQPMJG-WCEBZYJUSA-N 0 0 508.036 5.837 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085716 1072175339 /nfs/dbraw/zinc/17/53/39/1072175339.db2.gz ZSBAUNRTIPLQDO-CEUNXORHSA-N 0 0 549.457 8.560 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409085260 1072180473 /nfs/dbraw/zinc/18/04/73/1072180473.db2.gz WVXHQAHSISAILB-CTPANLQCSA-N 0 0 568.942 6.460 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409085078 1072181648 /nfs/dbraw/zinc/18/16/48/1072181648.db2.gz RHBKTQUSADACDF-CCVBWGSMSA-N 0 0 658.977 5.769 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084855 1072185940 /nfs/dbraw/zinc/18/59/40/1072185940.db2.gz NDFWXCHRINCLIJ-JLPGSUDCSA-N 0 0 583.880 7.249 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409084430 1072191303 /nfs/dbraw/zinc/19/13/03/1072191303.db2.gz VJOXRAVZJUAMMO-BCUAHEQISA-N 0 0 554.915 6.070 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083910 1072195091 /nfs/dbraw/zinc/19/50/91/1072195091.db2.gz WLRFJBGUHSEPOC-XIHDXPBISA-N 0 0 685.040 6.029 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083550 1072200612 /nfs/dbraw/zinc/20/06/12/1072200612.db2.gz VIMDYJGYNWPOGJ-OFWBYEQRSA-N 0 0 559.463 8.016 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409082611 1072209624 /nfs/dbraw/zinc/20/96/24/1072209624.db2.gz RZLYVVYEXGYNSB-XYGWBWBKSA-N 0 0 557.419 7.010 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082467 1072211450 /nfs/dbraw/zinc/21/14/50/1072211450.db2.gz JFSVTTWDBOPUJB-VCHYOVAHSA-N 0 0 625.195 7.737 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409081908 1072218374 /nfs/dbraw/zinc/21/83/74/1072218374.db2.gz IHAGGYRILGXZIG-BCUAHEQISA-N 0 0 599.366 6.179 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409096861 1072230607 /nfs/dbraw/zinc/23/06/07/1072230607.db2.gz LIEGXIWKJZCLSS-SOJUGJLBSA-N 0 0 724.665 5.441 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409096046 1072236248 /nfs/dbraw/zinc/23/62/48/1072236248.db2.gz JJAZHJBIBZTERG-JVWAILMASA-N 0 0 696.563 7.676 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409095964 1072237596 /nfs/dbraw/zinc/23/75/96/1072237596.db2.gz JFBLMPVMXFHTGP-UHFFFAOYSA-N 0 0 511.002 7.075 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)cc1 ZINC000409095951 1072237643 /nfs/dbraw/zinc/23/76/43/1072237643.db2.gz IWWXEABFEVYXSC-MFKUBSTISA-N 0 0 517.651 6.093 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409094863 1072242852 /nfs/dbraw/zinc/24/28/52/1072242852.db2.gz AFKFTDAFRBSPQL-QGMBQPNBSA-N 0 0 511.825 5.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409327064 1072243126 /nfs/dbraw/zinc/24/31/26/1072243126.db2.gz HIHRURKGOXRPAH-QRQIAZFYSA-N 0 0 651.591 8.445 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409326905 1072244066 /nfs/dbraw/zinc/24/40/66/1072244066.db2.gz GHNGDTSHPSZVRA-CHHVJCJISA-N 0 0 505.242 6.266 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409094605 1072245349 /nfs/dbraw/zinc/24/53/49/1072245349.db2.gz DSDHCTUAZQPLOI-STBIYBPSSA-N 0 0 619.139 8.115 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409093301 1072254693 /nfs/dbraw/zinc/25/46/93/1072254693.db2.gz ZVJWFBQQJSUSNM-ONUIUJJFSA-N 0 0 602.326 7.934 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409092220 1072263578 /nfs/dbraw/zinc/26/35/78/1072263578.db2.gz UAXJFYZOCJQFRV-UMUMUWHJSA-N 0 0 660.393 6.412 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409092085 1072264824 /nfs/dbraw/zinc/26/48/24/1072264824.db2.gz SVHTVOACIRKFCN-JLPGSUDCSA-N 0 0 670.912 6.555 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)NC1=S ZINC000409091266 1072273727 /nfs/dbraw/zinc/27/37/27/1072273727.db2.gz OZHDLMHZOYTBGR-WQRHYEAKSA-N 0 0 524.278 5.567 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409089824 1072287073 /nfs/dbraw/zinc/28/70/73/1072287073.db2.gz KJXHMIAQCSHQSJ-DUCIMOQJSA-N 0 0 682.640 6.644 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409089544 1072289361 /nfs/dbraw/zinc/28/93/61/1072289361.db2.gz MXILNMWKVCOWKW-JLPGSUDCSA-N 0 0 623.912 6.713 40 10 KKCBRN O=C1/C(=C/c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088790 1072295744 /nfs/dbraw/zinc/29/57/44/1072295744.db2.gz GZTTZFUQEHMHAU-LGUFXXKBSA-N 0 0 514.990 5.942 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409087763 1072306269 /nfs/dbraw/zinc/30/62/69/1072306269.db2.gz ZNVJDKRJEAWRMW-RKQRPNFGSA-N 0 0 514.883 6.606 40 10 KKCBRN CCCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409102056 1072310647 /nfs/dbraw/zinc/31/06/47/1072310647.db2.gz UPVBVUIYANXWQT-PCLIKHOPSA-N 0 0 629.573 7.824 40 10 KKCBRN CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409101938 1072311675 /nfs/dbraw/zinc/31/16/75/1072311675.db2.gz XGVREUNJBZEZOO-OVVQPSECSA-N 0 0 542.657 7.426 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409099587 1072325456 /nfs/dbraw/zinc/32/54/56/1072325456.db2.gz REQOULZWWSQHNT-YDZHTSKRSA-N 0 0 645.528 6.197 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c1 ZINC000409100395 1072320164 /nfs/dbraw/zinc/32/01/64/1072320164.db2.gz VRHMDINWILTJOM-LFVJCYFKSA-N 0 0 564.620 5.229 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098981 1072328589 /nfs/dbraw/zinc/32/85/89/1072328589.db2.gz NCYVDJBFBSIOQH-UFKHLRDRSA-N 0 0 639.221 6.326 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c1 ZINC000409098090 1072333808 /nfs/dbraw/zinc/33/38/08/1072333808.db2.gz PHQDIWQSIPXBLQ-RGVLZGJSSA-N 0 0 529.412 5.952 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409336277 1072333090 /nfs/dbraw/zinc/33/30/90/1072333090.db2.gz NDIKGVAKIVCBTH-PXNMLYILSA-N 0 0 519.269 6.569 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409098300 1072333162 /nfs/dbraw/zinc/33/31/62/1072333162.db2.gz PIQDXNQPAGMFLO-WCMJOSRZSA-N 0 0 562.714 6.402 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409334913 1072342670 /nfs/dbraw/zinc/34/26/70/1072342670.db2.gz YEHUCFSQCJPNJO-LPYMAVHISA-N 0 0 686.818 8.091 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)SC2=S)cc1 ZINC000409335018 1072341283 /nfs/dbraw/zinc/34/12/83/1072341283.db2.gz YITZXMQQRLKSCC-LDADJPATSA-N 0 0 541.432 5.503 40 10 KKCBRN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1[N+](=O)[O-] ZINC000409106221 1072343882 /nfs/dbraw/zinc/34/38/82/1072343882.db2.gz MPNQJDSXVANCHD-LPYMAVHISA-N 0 0 522.583 5.458 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409105861 1072347592 /nfs/dbraw/zinc/34/75/92/1072347592.db2.gz LNZREPMENYVMQE-NODDCGHISA-N 0 0 635.233 6.832 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409334113 1072347612 /nfs/dbraw/zinc/34/76/12/1072347612.db2.gz UBFWOAWWUOYZPS-JVWAILMASA-N 0 0 578.781 7.354 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409334231 1072348452 /nfs/dbraw/zinc/34/84/52/1072348452.db2.gz WFPDRYJSRGADBC-MZJWZYIUSA-N 0 0 667.546 7.557 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409334213 1072348454 /nfs/dbraw/zinc/34/84/54/1072348454.db2.gz WBRWCBJHMVRXDE-RGVLZGJSSA-N 0 0 656.780 7.129 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409334197 1072348466 /nfs/dbraw/zinc/34/84/66/1072348466.db2.gz VBWKISQUSYGSNR-LPYMAVHISA-N 0 0 589.464 6.880 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105609 1072349459 /nfs/dbraw/zinc/34/94/59/1072349459.db2.gz JWZKFUIWJJCYFQ-ADUBFANXSA-N 0 0 618.803 5.981 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409333776 1072351511 /nfs/dbraw/zinc/35/15/11/1072351511.db2.gz VUWQFJUMQNVBRF-MYYYXRDXSA-N 0 0 550.727 6.539 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409332875 1072357680 /nfs/dbraw/zinc/35/76/80/1072357680.db2.gz SJKMUEOXUHAMSD-QQXSKIMKSA-N 0 0 550.677 6.771 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409333769 1072351603 /nfs/dbraw/zinc/35/16/03/1072351603.db2.gz VQZYEBUJMOXXLK-LFVJCYFKSA-N 0 0 569.546 6.899 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000409332901 1072357713 /nfs/dbraw/zinc/35/77/13/1072357713.db2.gz SSDAABWRQKCETG-RGVLZGJSSA-N 0 0 556.965 5.495 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409333464 1072353787 /nfs/dbraw/zinc/35/37/87/1072353787.db2.gz TXUWKWUHPPKKGO-RGVLZGJSSA-N 0 0 511.606 5.918 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409333238 1072354220 /nfs/dbraw/zinc/35/42/20/1072354220.db2.gz RLSGRVVBMUNBDM-XKZIYDEJSA-N 0 0 625.912 7.467 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1O ZINC000409104740 1072354395 /nfs/dbraw/zinc/35/43/95/1072354395.db2.gz FGWURHLMWXSDQQ-CIAFOILYSA-N 0 0 620.465 6.193 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409332914 1072358147 /nfs/dbraw/zinc/35/81/47/1072358147.db2.gz SGRXFIWLUUEEQY-VCHYOVAHSA-N 0 0 594.323 7.191 40 10 KKCBRN O=C(c1ccccc1I)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000409333151 1072355881 /nfs/dbraw/zinc/35/58/81/1072355881.db2.gz NNDCAONCIFWPJW-VGOFMYFVSA-N 0 0 520.200 5.640 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409332699 1072358475 /nfs/dbraw/zinc/35/84/75/1072358475.db2.gz RCXJNHXWUMLMKA-LZYBPNLTSA-N 0 0 536.380 6.360 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409332980 1072356296 /nfs/dbraw/zinc/35/62/96/1072356296.db2.gz SYSVAIVGGZCHOZ-YDZHTSKRSA-N 0 0 535.603 5.022 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1 ZINC000409333222 1072356365 /nfs/dbraw/zinc/35/63/65/1072356365.db2.gz RHUGIZBGSCEYLM-UUYOSTAYSA-N 0 0 503.476 7.205 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333059 1072356827 /nfs/dbraw/zinc/35/68/27/1072356827.db2.gz BOWCJJKYRRNZSL-CLCZQPDDSA-N 0 0 525.095 6.462 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409332688 1072358511 /nfs/dbraw/zinc/35/85/11/1072358511.db2.gz QYFDDDKNMNQERO-CFRMEGHHSA-N 0 0 530.042 6.871 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409332828 1072357369 /nfs/dbraw/zinc/35/73/69/1072357369.db2.gz RZLLPNARZTZXCH-UCQKPKSFSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409332691 1072358533 /nfs/dbraw/zinc/35/85/33/1072358533.db2.gz QZCGTGFZJDSOPK-YSMPRRRNSA-N 0 0 573.608 7.253 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409332724 1072358986 /nfs/dbraw/zinc/35/89/86/1072358986.db2.gz RFTZMMSWTYNZTE-XKZIYDEJSA-N 0 0 623.921 6.947 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)SC2=S)cc1Cl ZINC000409332542 1072359747 /nfs/dbraw/zinc/35/97/47/1072359747.db2.gz QDMJJYGKVLLTIJ-GATIEOLUSA-N 0 0 570.132 6.885 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409332445 1072361210 /nfs/dbraw/zinc/36/12/10/1072361210.db2.gz QRFKYAATYWUFQF-BUVRLJJBSA-N 0 0 560.524 7.776 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409332499 1072361596 /nfs/dbraw/zinc/36/15/96/1072361596.db2.gz PMZYXMNVRGJMHE-CHHVJCJISA-N 0 0 519.320 5.999 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409332034 1072365616 /nfs/dbraw/zinc/36/56/16/1072365616.db2.gz PCCRXJAYZDMBPT-ZMOGYAJESA-N 0 0 570.670 5.702 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409103008 1072362301 /nfs/dbraw/zinc/36/23/01/1072362301.db2.gz XAVPGRKJBSEPPY-STBIYBPSSA-N 0 0 552.606 5.652 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409332266 1072362417 /nfs/dbraw/zinc/36/24/17/1072362417.db2.gz QAIXWHTZHQWEAW-STZFKDTASA-N 0 0 562.488 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409332130 1072363728 /nfs/dbraw/zinc/36/37/28/1072363728.db2.gz QBBAAZCYYPDHMQ-UCQKPKSFSA-N 0 0 574.493 6.980 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332182 1072364187 /nfs/dbraw/zinc/36/41/87/1072364187.db2.gz PRSLOQOARFXBOY-BUVRLJJBSA-N 0 0 521.620 5.654 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409331187 1072372807 /nfs/dbraw/zinc/37/28/07/1072372807.db2.gz MMSBXIPOODEOHM-YUMHPJSZSA-N 0 0 565.638 8.242 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1C ZINC000409331899 1072366936 /nfs/dbraw/zinc/36/69/36/1072366936.db2.gz PMARPGVTWRLCSF-OYKKKHCWSA-N 0 0 567.530 6.485 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409102334 1072366977 /nfs/dbraw/zinc/36/69/77/1072366977.db2.gz RYYHLROWEQDWHX-OCSSWDANSA-N 0 0 646.596 9.102 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000409331882 1072367065 /nfs/dbraw/zinc/36/70/65/1072367065.db2.gz PFHFLZYCWSCTDM-WOJGMQOQSA-N 0 0 546.430 7.061 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409331667 1072367341 /nfs/dbraw/zinc/36/73/41/1072367341.db2.gz OWILBAWAZQXEDH-ZVHZXABRSA-N 0 0 538.672 6.700 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409330945 1072373256 /nfs/dbraw/zinc/37/32/56/1072373256.db2.gz NOOSAGVMYQFMMY-QQXSKIMKSA-N 0 0 518.107 7.123 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330771 1072374209 /nfs/dbraw/zinc/37/42/09/1072374209.db2.gz MOAPEBNGABYTKY-DHRITJCHSA-N 0 0 587.550 7.549 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409330631 1072375014 /nfs/dbraw/zinc/37/50/14/1072375014.db2.gz LEDKARCTRHOMLS-FOKLQQMPSA-N 0 0 529.901 8.056 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409330747 1072375846 /nfs/dbraw/zinc/37/58/46/1072375846.db2.gz MFSHGQXFIBKNLF-SSDVNMTOSA-N 0 0 512.008 6.062 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1Cl ZINC000409330385 1072377636 /nfs/dbraw/zinc/37/76/36/1072377636.db2.gz LRFJICFOWQUPES-LSHDLFTRSA-N 0 0 536.889 7.640 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1C ZINC000409330226 1072378559 /nfs/dbraw/zinc/37/85/59/1072378559.db2.gz JYHBYYFTWUISLY-BHGWPJFGSA-N 0 0 597.512 6.218 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000409329765 1072382016 /nfs/dbraw/zinc/38/20/16/1072382016.db2.gz HVCZEKFFDJCZER-MTJSOVHGSA-N 0 0 669.347 6.876 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409330135 1072380029 /nfs/dbraw/zinc/38/00/29/1072380029.db2.gz JGZNKIZMHUUJFA-CNHKJKLMSA-N 0 0 558.859 5.077 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)c1 ZINC000409329945 1072380974 /nfs/dbraw/zinc/38/09/74/1072380974.db2.gz IGOCCXXOVPERLU-BKUYFWCQSA-N 0 0 669.347 7.189 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329929 1072381046 /nfs/dbraw/zinc/38/10/46/1072381046.db2.gz IDJXBWLIHRHTMM-CIAFOILYSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409329949 1072381069 /nfs/dbraw/zinc/38/10/69/1072381069.db2.gz IHZOOBSUSYFJBN-UFFVCSGVSA-N 0 0 537.981 6.349 40 10 KKCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409329828 1072382623 /nfs/dbraw/zinc/38/26/23/1072382623.db2.gz HEAFQROJAGQVNT-UDWIEESQSA-N 0 0 504.858 7.060 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409329831 1072382970 /nfs/dbraw/zinc/38/29/70/1072382970.db2.gz HGFONUAEIJGAEM-SRZZPIQSSA-N 0 0 580.587 6.096 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409329867 1072382979 /nfs/dbraw/zinc/38/29/79/1072382979.db2.gz HZRWLDTWTFXEKS-YDZHTSKRSA-N 0 0 556.643 5.394 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)ccc1Cl ZINC000409329638 1072383494 /nfs/dbraw/zinc/38/34/94/1072383494.db2.gz GOXBWDYCTBOGCP-ODLFYWEKSA-N 0 0 500.941 5.701 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409329648 1072383528 /nfs/dbraw/zinc/38/35/28/1072383528.db2.gz GQKACPBZWNIFHB-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409329449 1072383861 /nfs/dbraw/zinc/38/38/61/1072383861.db2.gz FZGZNEYVNZOVIJ-OYKKKHCWSA-N 0 0 635.976 7.945 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329444 1072383885 /nfs/dbraw/zinc/38/38/85/1072383885.db2.gz FPVMTXUDIXLXRE-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409329725 1072383974 /nfs/dbraw/zinc/38/39/74/1072383974.db2.gz HLLHOGVYSWHQQC-UUYOSTAYSA-N 0 0 686.471 7.602 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409329533 1072384891 /nfs/dbraw/zinc/38/48/91/1072384891.db2.gz FHIKEYGOAWNFPS-LGJNPRDNSA-N 0 0 521.773 7.681 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409329042 1072387527 /nfs/dbraw/zinc/38/75/27/1072387527.db2.gz CCNXMRAVYRFZIU-LPYMAVHISA-N 0 0 576.921 7.105 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409329011 1072387631 /nfs/dbraw/zinc/38/76/31/1072387631.db2.gz CAKRUHCBCMGQKG-MYYYXRDXSA-N 0 0 597.556 7.004 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409328969 1072389384 /nfs/dbraw/zinc/38/93/84/1072389384.db2.gz BGMYKTZOOPHQET-YUMHPJSZSA-N 0 0 515.631 7.362 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409328957 1072389482 /nfs/dbraw/zinc/38/94/82/1072389482.db2.gz BBPCLAFLACKXRD-UUYOSTAYSA-N 0 0 652.919 7.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409328998 1072389495 /nfs/dbraw/zinc/38/94/95/1072389495.db2.gz BTGAYPXPYZFYDP-DICXZTSXSA-N 0 0 566.531 8.530 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409328978 1072389519 /nfs/dbraw/zinc/38/95/19/1072389519.db2.gz BKMBLLTWSSILIT-LSHDLFTRSA-N 0 0 627.434 8.471 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409328736 1072389959 /nfs/dbraw/zinc/38/99/59/1072389959.db2.gz AGUYBNKQCAPNDY-CAOOACKPSA-N 0 0 532.854 6.003 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409328600 1072390931 /nfs/dbraw/zinc/39/09/31/1072390931.db2.gz YKVIPFSMITZWRW-UFFVCSGVSA-N 0 0 644.237 8.812 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409328620 1072391218 /nfs/dbraw/zinc/39/12/18/1072391218.db2.gz YZSQWCBRRKRADD-OYKKKHCWSA-N 0 0 533.631 6.142 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409328692 1072391766 /nfs/dbraw/zinc/39/17/66/1072391766.db2.gz ZYHGARGPBJIJOR-CXUHLZMHSA-N 0 0 521.382 5.261 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409328289 1072393298 /nfs/dbraw/zinc/39/32/98/1072393298.db2.gz RKVSFDCZPMZJQS-JAIQZWGSSA-N 0 0 613.755 7.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328347 1072393756 /nfs/dbraw/zinc/39/37/56/1072393756.db2.gz SPFDWUUTVDYIHG-JJFYIABZSA-N 0 0 547.441 6.895 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409327975 1072397891 /nfs/dbraw/zinc/39/78/91/1072397891.db2.gz ONLUZZZNPXJFJM-LPYMAVHISA-N 0 0 522.564 5.767 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409327759 1072398290 /nfs/dbraw/zinc/39/82/90/1072398290.db2.gz MLKIHSURLMXBGP-BUVRLJJBSA-N 0 0 512.052 6.732 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327756 1072398320 /nfs/dbraw/zinc/39/83/20/1072398320.db2.gz MKTBKMKCXLAJON-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327760 1072398330 /nfs/dbraw/zinc/39/83/30/1072398330.db2.gz MNBUWQUEVYGDKA-ZVBGSRNCSA-N 0 0 585.759 8.394 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409327602 1072399601 /nfs/dbraw/zinc/39/96/01/1072399601.db2.gz LHLXBVVBVLSVEC-RGVLZGJSSA-N 0 0 734.216 7.643 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409327580 1072399685 /nfs/dbraw/zinc/39/96/85/1072399685.db2.gz KYLKQBGAJJUBAB-PCLIKHOPSA-N 0 0 531.058 6.618 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409327378 1072402869 /nfs/dbraw/zinc/40/28/69/1072402869.db2.gz JHPVWDJSYGKMCB-YZSQISJMSA-N 0 0 526.639 6.272 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409337274 1072403468 /nfs/dbraw/zinc/40/34/68/1072403468.db2.gz SZAQJXXSGCBSAR-OREGWCPLSA-N 0 0 559.540 7.115 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108734 1072404678 /nfs/dbraw/zinc/40/46/78/1072404678.db2.gz XQBGDPSASOLUQC-PQRKSKNISA-N 0 0 633.612 5.282 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108812 1072405353 /nfs/dbraw/zinc/40/53/53/1072405353.db2.gz WFCSBLNKQMIRCX-PQRKSKNISA-N 0 0 589.161 5.173 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCC(=O)OC ZINC000409108677 1072406926 /nfs/dbraw/zinc/40/69/26/1072406926.db2.gz YKQIBIVCSYWEQQ-ZVHZXABRSA-N 0 0 566.632 5.434 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC ZINC000409347160 1072409192 /nfs/dbraw/zinc/40/91/92/1072409192.db2.gz MLLXFISTZJPQGH-GRSHGNNSSA-N 0 0 556.887 5.849 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409346977 1072410184 /nfs/dbraw/zinc/41/01/84/1072410184.db2.gz LVMHALAKLAEZAD-JAIQZWGSSA-N 0 0 558.435 5.746 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)c1 ZINC000409346997 1072410761 /nfs/dbraw/zinc/41/07/61/1072410761.db2.gz PHDKOJUPALJQCB-FSJBWODESA-N 0 0 504.589 5.147 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409346873 1072411763 /nfs/dbraw/zinc/41/17/63/1072411763.db2.gz LSHDNVPEQDNPHO-WGARJPEWSA-N 0 0 573.567 7.833 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409346855 1072411778 /nfs/dbraw/zinc/41/17/78/1072411778.db2.gz OSKGTWBXJQGEJQ-ZVBGSRNCSA-N 0 0 553.530 5.438 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409107685 1072412391 /nfs/dbraw/zinc/41/23/91/1072412391.db2.gz TVZZZRIPILUHMV-KOEQRZSOSA-N 0 0 517.651 6.392 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346894 1072412405 /nfs/dbraw/zinc/41/24/05/1072412405.db2.gz LTAPZYUHXMVMSE-FOKLQQMPSA-N 0 0 615.483 6.470 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409107525 1072412873 /nfs/dbraw/zinc/41/28/73/1072412873.db2.gz WQWWBDOXWWPWRE-RAWKODRKSA-N 0 0 631.198 5.341 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1 ZINC000409346781 1072413835 /nfs/dbraw/zinc/41/38/35/1072413835.db2.gz ONFOARQNXCAIGD-HZHRSRAPSA-N 0 0 506.605 5.127 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409346534 1072413863 /nfs/dbraw/zinc/41/38/63/1072413863.db2.gz NBNLPJVHSYQKQK-JMIUGGIZSA-N 0 0 527.511 5.849 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000409123461 1072414840 /nfs/dbraw/zinc/41/48/40/1072414840.db2.gz BYVLBYYCUBEOSY-ITYLOYPMSA-N 0 0 519.091 6.818 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409107516 1072414923 /nfs/dbraw/zinc/41/49/23/1072414923.db2.gz WOJVFHRUIWYUSW-XQNWCSQWSA-N 0 0 577.125 5.304 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409346515 1072415991 /nfs/dbraw/zinc/41/59/91/1072415991.db2.gz LENOIGJKWPHBEY-YUMHPJSZSA-N 0 0 532.086 7.877 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409123330 1072416341 /nfs/dbraw/zinc/41/63/41/1072416341.db2.gz FRAUQIVDPDODNL-YSMPRRRNSA-N 0 0 580.504 5.612 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 ZINC000409123274 1072417420 /nfs/dbraw/zinc/41/74/20/1072417420.db2.gz BMDNKEXWLWSUTG-HBAFHOPNSA-N 0 0 508.665 5.499 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 ZINC000409123275 1072417450 /nfs/dbraw/zinc/41/74/50/1072417450.db2.gz BMDNKEXWLWSUTG-WYRWUVFZSA-N 0 0 508.665 5.499 40 10 KKCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409346115 1072417558 /nfs/dbraw/zinc/41/75/58/1072417558.db2.gz MQOQRUHWPIYUFS-VIZOYTHASA-N 0 0 519.667 6.279 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409346207 1072418573 /nfs/dbraw/zinc/41/85/73/1072418573.db2.gz NNNRJVNVUQXLKH-UCQKPKSFSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409345977 1072419053 /nfs/dbraw/zinc/41/90/53/1072419053.db2.gz MLHHJGJMSOCTAR-YVNNLAQVSA-N 0 0 664.257 9.446 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409346006 1072419091 /nfs/dbraw/zinc/41/90/91/1072419091.db2.gz NALJWBYDEBRYSD-MTDXEUNCSA-N 0 0 511.668 7.532 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409345563 1072423336 /nfs/dbraw/zinc/42/33/36/1072423336.db2.gz JHFLEQJBPOBVQW-QRVIBDJDSA-N 0 0 619.400 7.822 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409345295 1072425831 /nfs/dbraw/zinc/42/58/31/1072425831.db2.gz LGPVYMFGKVYHBA-BUVRLJJBSA-N 0 0 599.528 6.280 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409345263 1072425873 /nfs/dbraw/zinc/42/58/73/1072425873.db2.gz LBCPIJSOJSSACP-ZMFRSBBQSA-N 0 0 562.669 5.971 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409345139 1072426904 /nfs/dbraw/zinc/42/69/04/1072426904.db2.gz KKBALXXTCMSYLA-OEAKJJBVSA-N 0 0 589.522 6.526 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409345174 1072427512 /nfs/dbraw/zinc/42/75/12/1072427512.db2.gz KPBZMAIPFGWGHG-MTJSOVHGSA-N 0 0 550.421 7.453 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409344928 1072427517 /nfs/dbraw/zinc/42/75/17/1072427517.db2.gz IDEXVFIATQLLRY-XKZIYDEJSA-N 0 0 595.367 8.139 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409344691 1072430537 /nfs/dbraw/zinc/43/05/37/1072430537.db2.gz IAXGNSKOBRRZCX-ZDLGFXPLSA-N 0 0 554.509 5.527 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409344717 1072430616 /nfs/dbraw/zinc/43/06/16/1072430616.db2.gz ICDWHRTXNIADIT-HMAPJEAMSA-N 0 0 541.050 5.482 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409344542 1072431068 /nfs/dbraw/zinc/43/10/68/1072431068.db2.gz JSGUYAAMBJKJLV-YZSQISJMSA-N 0 0 532.687 6.632 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409344407 1072432955 /nfs/dbraw/zinc/43/29/55/1072432955.db2.gz JJOHCKDZEPPQRU-UFFVCSGVSA-N 0 0 628.784 7.535 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409344190 1072433444 /nfs/dbraw/zinc/43/34/44/1072433444.db2.gz GCVUUHGCFGSNHP-YZSQISJMSA-N 0 0 510.640 6.572 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409344232 1072433797 /nfs/dbraw/zinc/43/37/97/1072433797.db2.gz IHEHEHSRMVUKND-MYYYXRDXSA-N 0 0 563.657 6.034 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409343870 1072437947 /nfs/dbraw/zinc/43/79/47/1072437947.db2.gz DROBADLQWAHCRD-LPYMAVHISA-N 0 0 589.464 6.880 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409343458 1072439563 /nfs/dbraw/zinc/43/95/63/1072439563.db2.gz HPEKMYYHZVRIBN-IDUWFGFVSA-N 0 0 500.823 5.621 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409343597 1072440710 /nfs/dbraw/zinc/44/07/10/1072440710.db2.gz FARZFERLZJLFPV-NHDPSOOVSA-N 0 0 628.340 7.591 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409343310 1072440796 /nfs/dbraw/zinc/44/07/96/1072440796.db2.gz GKOSNVBRBUDKQN-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409343384 1072441302 /nfs/dbraw/zinc/44/13/02/1072441302.db2.gz GTYNUCPVRWHPBT-FRKPEAEDSA-N 0 0 610.278 5.564 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409118234 1072441808 /nfs/dbraw/zinc/44/18/08/1072441808.db2.gz PHRXCWBUUSIAAB-VEILYXNESA-N 0 0 504.590 5.601 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409343413 1072441874 /nfs/dbraw/zinc/44/18/74/1072441874.db2.gz GXVOCDINFMUXLH-YVLHZVERSA-N 0 0 587.311 5.568 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409343178 1072442470 /nfs/dbraw/zinc/44/24/70/1072442470.db2.gz CTFTUIQUFDPFIV-YUMHPJSZSA-N 0 0 542.638 7.132 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342760 1072446093 /nfs/dbraw/zinc/44/60/93/1072446093.db2.gz FGJWPPNXWKLKGX-YVNNLAQVSA-N 0 0 591.892 7.004 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O ZINC000409342854 1072446971 /nfs/dbraw/zinc/44/69/71/1072446971.db2.gz CURCMEUWEONGHS-WGARJPEWSA-N 0 0 505.705 6.968 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409342649 1072447616 /nfs/dbraw/zinc/44/76/16/1072447616.db2.gz DTXIGLGLUZAYAH-JMIUGGIZSA-N 0 0 613.755 7.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409342437 1072448069 /nfs/dbraw/zinc/44/80/69/1072448069.db2.gz FAONRUJKEQNCIH-MSXFZWOLSA-N 0 0 601.519 6.637 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409127223 1072448097 /nfs/dbraw/zinc/44/80/97/1072448097.db2.gz CQKONKKFWWEYRQ-ONUIUJJFSA-N 0 0 532.691 6.046 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000409126949 1072448109 /nfs/dbraw/zinc/44/81/09/1072448109.db2.gz GLCSTFLLRMIOIN-MYYYXRDXSA-N 0 0 533.719 5.673 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342467 1072448698 /nfs/dbraw/zinc/44/86/98/1072448698.db2.gz DITZPHSXLFKSEP-XKZIYDEJSA-N 0 0 636.464 6.722 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409342531 1072448716 /nfs/dbraw/zinc/44/87/16/1072448716.db2.gz DSPNSQOMWCZWAU-HMAPJEAMSA-N 0 0 613.970 7.456 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccc(Br)cc23)SC1=S ZINC000409127058 1072448814 /nfs/dbraw/zinc/44/88/14/1072448814.db2.gz GPFGXAWXGCMAPO-ZBKNUEDVSA-N 0 0 532.485 5.170 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409342556 1072449112 /nfs/dbraw/zinc/44/91/12/1072449112.db2.gz FQOKNMFHVGAEQO-FBHDLOMBSA-N 0 0 541.308 8.285 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409342336 1072449776 /nfs/dbraw/zinc/44/97/76/1072449776.db2.gz BPTCOQUQBIILGX-LICLKQGHSA-N 0 0 545.851 6.148 40 10 KKCBRN COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409126864 1072449855 /nfs/dbraw/zinc/44/98/55/1072449855.db2.gz GENUAJICCBZYDX-DIBXZPPDSA-N 0 0 514.672 6.173 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1Cl ZINC000409342144 1072450270 /nfs/dbraw/zinc/45/02/70/1072450270.db2.gz AFFCWUXRSCTRJZ-LSHDLFTRSA-N 0 0 536.889 7.640 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409126546 1072451558 /nfs/dbraw/zinc/45/15/58/1072451558.db2.gz CGRNRMTZRWVITB-UCQKPKSFSA-N 0 0 529.431 6.419 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409342086 1072451889 /nfs/dbraw/zinc/45/18/89/1072451889.db2.gz BVAUNOBMELVBMJ-MYKKPKGFSA-N 0 0 652.419 7.805 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409341963 1072454432 /nfs/dbraw/zinc/45/44/32/1072454432.db2.gz CNBDYNFAVMACEQ-VYYCAZPPSA-N 0 0 545.516 8.555 40 10 KKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409341947 1072454451 /nfs/dbraw/zinc/45/44/51/1072454451.db2.gz CLQSESIOGWNWBT-YVLHZVERSA-N 0 0 511.850 5.436 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409126108 1072454876 /nfs/dbraw/zinc/45/48/76/1072454876.db2.gz ATURJPJNDLBTFD-QQXSKIMKSA-N 0 0 562.072 8.048 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)c1 ZINC000409341827 1072455403 /nfs/dbraw/zinc/45/54/03/1072455403.db2.gz ADNBXDRVSPNSSV-MYKKPKGFSA-N 0 0 525.095 7.610 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409125771 1072456682 /nfs/dbraw/zinc/45/66/82/1072456682.db2.gz KJHHGSXXWDDNAR-RHANQZHGSA-N 0 0 583.691 7.381 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409341442 1072457248 /nfs/dbraw/zinc/45/72/48/1072457248.db2.gz ATPBQHSUTPXWJM-CIAFOILYSA-N 0 0 545.411 6.481 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC ZINC000409341460 1072457301 /nfs/dbraw/zinc/45/73/01/1072457301.db2.gz BAIDNAXDCBNGQZ-WOJGMQOQSA-N 0 0 525.433 5.721 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409341203 1072460409 /nfs/dbraw/zinc/46/04/09/1072460409.db2.gz AATBWIAHVFFCTE-XKZIYDEJSA-N 0 0 607.922 7.246 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409125312 1072461851 /nfs/dbraw/zinc/46/18/51/1072461851.db2.gz DUTGDCRCJNGZEE-MYYYXRDXSA-N 0 0 549.515 7.197 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)c1 ZINC000409341055 1072462149 /nfs/dbraw/zinc/46/21/49/1072462149.db2.gz DHHNUELBMVYHBI-OYKKKHCWSA-N 0 0 520.701 6.449 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1 ZINC000409340561 1072464706 /nfs/dbraw/zinc/46/47/06/1072464706.db2.gz ZHWIBKAWFVNCHE-LPYMAVHISA-N 0 0 526.617 5.385 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409340541 1072464754 /nfs/dbraw/zinc/46/47/54/1072464754.db2.gz YVMBMMUHXAQTBS-MTJSOVHGSA-N 0 0 577.884 6.367 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409124388 1072467043 /nfs/dbraw/zinc/46/70/43/1072467043.db2.gz BRCGNQYWERIQCB-CFRMEGHHSA-N 0 0 559.982 7.887 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OC ZINC000409340265 1072467374 /nfs/dbraw/zinc/46/73/74/1072467374.db2.gz TVCSUUWVAQMBQL-SXGWCWSVSA-N 0 0 515.369 5.243 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409340317 1072467951 /nfs/dbraw/zinc/46/79/51/1072467951.db2.gz UZDJHKMYPQKGOH-YVNNLAQVSA-N 0 0 657.917 7.553 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(c5cccc(Cl)c5)C4=O)c3C)cc2)cc1 ZINC000409124302 1072468131 /nfs/dbraw/zinc/46/81/31/1072468131.db2.gz AVSPBEBMCTWDAQ-YUMHPJSZSA-N 0 0 531.033 7.789 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409340227 1072469707 /nfs/dbraw/zinc/46/97/07/1072469707.db2.gz SNJKLPQVNJGVCG-CFRMEGHHSA-N 0 0 617.974 7.151 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409339979 1072470142 /nfs/dbraw/zinc/47/01/42/1072470142.db2.gz NYPYEURYYQVHMH-WGARJPEWSA-N 0 0 645.427 9.293 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409340086 1072471279 /nfs/dbraw/zinc/47/12/79/1072471279.db2.gz QFHABCLEUSZJHJ-FMCGGJTJSA-N 0 0 560.575 7.437 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 ZINC000409339876 1072471801 /nfs/dbraw/zinc/47/18/01/1072471801.db2.gz MGKBOWNMZIGQHR-RGVLZGJSSA-N 0 0 556.965 5.495 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)S1)c1ccccc1 ZINC000409123676 1072471981 /nfs/dbraw/zinc/47/19/81/1072471981.db2.gz DGMCRBJPGBEIIK-BKUYFWCQSA-N 0 0 511.372 5.568 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409339664 1072472351 /nfs/dbraw/zinc/47/23/51/1072472351.db2.gz KGDLSPCLABUDGD-AFUMVMLFSA-N 0 0 640.143 5.658 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1 ZINC000409339660 1072472407 /nfs/dbraw/zinc/47/24/07/1072472407.db2.gz KDWQIDOJXKNOIR-LPYMAVHISA-N 0 0 622.379 7.402 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409339634 1072474648 /nfs/dbraw/zinc/47/46/48/1072474648.db2.gz XKIZBYUXMMLJRM-HZHRSRAPSA-N 0 0 515.572 6.350 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409136870 1072474774 /nfs/dbraw/zinc/47/47/74/1072474774.db2.gz VHTYJSWDMYJOBO-QRVIBDJDSA-N 0 0 508.625 5.597 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409339415 1072475775 /nfs/dbraw/zinc/47/57/75/1072475775.db2.gz VFEIMYOBKRCTGQ-WYMPLXKRSA-N 0 0 526.035 6.452 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409339447 1072475819 /nfs/dbraw/zinc/47/58/19/1072475819.db2.gz IDCZOPYGOVXNJQ-YDZHTSKRSA-N 0 0 607.016 8.208 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC1=S ZINC000409136841 1072476342 /nfs/dbraw/zinc/47/63/42/1072476342.db2.gz ZWTBSAHDWRLDPR-UUYOSTAYSA-N 0 0 515.498 6.340 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409136632 1072477089 /nfs/dbraw/zinc/47/70/89/1072477089.db2.gz XXOCFMGRKVGGBD-OGLMXYFKSA-N 0 0 518.654 7.429 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409339281 1072477113 /nfs/dbraw/zinc/47/71/13/1072477113.db2.gz GTRZVKLWRPWXRL-WQRHYEAKSA-N 0 0 557.329 6.410 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409339353 1072477579 /nfs/dbraw/zinc/47/75/79/1072477579.db2.gz ULLWBMFRGVTHSR-JMIUGGIZSA-N 0 0 582.328 7.144 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339093 1072478086 /nfs/dbraw/zinc/47/80/86/1072478086.db2.gz DXAVKEMNNMQLIJ-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409338973 1072479760 /nfs/dbraw/zinc/47/97/60/1072479760.db2.gz CRGZVGJUSBPUOA-SRZZPIQSSA-N 0 0 547.035 5.730 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409338985 1072479811 /nfs/dbraw/zinc/47/98/11/1072479811.db2.gz CVSNKBWQZUQWLB-QRVIBDJDSA-N 0 0 572.642 5.094 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409339025 1072480267 /nfs/dbraw/zinc/48/02/67/1072480267.db2.gz DJVLVTGNAFSFRZ-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409338802 1072480860 /nfs/dbraw/zinc/48/08/60/1072480860.db2.gz BISGJDDDXPPDPK-FOKLQQMPSA-N 0 0 540.453 7.310 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409338766 1072483689 /nfs/dbraw/zinc/48/36/89/1072483689.db2.gz AMOQRRDWPYBYMR-BUVRLJJBSA-N 0 0 510.080 7.340 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409338491 1072483706 /nfs/dbraw/zinc/48/37/06/1072483706.db2.gz KWQABVITFIEJGN-WYMPLXKRSA-N 0 0 534.615 5.156 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409338597 1072484783 /nfs/dbraw/zinc/48/47/83/1072484783.db2.gz MSSKCVCPZYXLFT-AFUMVMLFSA-N 0 0 522.070 6.954 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409337996 1072489988 /nfs/dbraw/zinc/48/99/88/1072489988.db2.gz BACBVFULTNUYPA-ONUIUJJFSA-N 0 0 629.585 7.956 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)N(C)C2=S)cc1 ZINC000409134680 1072489997 /nfs/dbraw/zinc/48/99/97/1072489997.db2.gz STVBZFRLFDKLMO-BRPDVVIDSA-N 0 0 513.707 7.145 40 10 KKCBRN C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000409337814 1072491184 /nfs/dbraw/zinc/49/11/84/1072491184.db2.gz WOCNKBCLOWXAJG-KAXQCBAPSA-N 0 0 517.655 5.123 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc43)c2C)SC1=S ZINC000409134664 1072491676 /nfs/dbraw/zinc/49/16/76/1072491676.db2.gz PAVYEFSHTODKSM-BKUYFWCQSA-N 0 0 501.471 5.857 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000409133934 1072496676 /nfs/dbraw/zinc/49/66/76/1072496676.db2.gz RCBPDDYMGUBXKG-IMRQLAEWSA-N 0 0 508.599 6.218 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409133532 1072497704 /nfs/dbraw/zinc/49/77/04/1072497704.db2.gz LGMWQQALGAPYEK-XYGWBWBKSA-N 0 0 620.468 6.432 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409133460 1072499373 /nfs/dbraw/zinc/49/93/73/1072499373.db2.gz LWDYKYLGBWVALD-UYOCIXKTSA-N 0 0 578.340 7.753 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)NCc1ccco1 ZINC000409133343 1072500264 /nfs/dbraw/zinc/50/02/64/1072500264.db2.gz QISFESSAEUNTFP-CFRMEGHHSA-N 0 0 580.529 5.757 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c(Br)c4)c3C)SC2=S)cc1 ZINC000409132781 1072502001 /nfs/dbraw/zinc/50/20/01/1072502001.db2.gz KWTMVVKLFBNQKH-YSMPRRRNSA-N 0 0 598.588 6.103 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409132779 1072502053 /nfs/dbraw/zinc/50/20/53/1072502053.db2.gz RHXJVMLEYXNNFY-HMAPJEAMSA-N 0 0 537.435 5.745 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409132896 1072502396 /nfs/dbraw/zinc/50/23/96/1072502396.db2.gz RXCCQQYQIPQZHT-CIQOZVAXSA-N 0 0 547.927 6.486 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409132679 1072502868 /nfs/dbraw/zinc/50/28/68/1072502868.db2.gz QURXEXHKKDBZPC-OLRBPVQESA-N 0 0 531.530 6.939 40 10 KKCBRN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409356379 1072503348 /nfs/dbraw/zinc/50/33/48/1072503348.db2.gz NBMOCJQBGCYACD-QNEJGDQOSA-N 0 0 568.490 6.681 40 10 KKCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409132441 1072504669 /nfs/dbraw/zinc/50/46/69/1072504669.db2.gz ZVEUAVNRYBMOFH-BUVRLJJBSA-N 0 0 541.467 6.118 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409132292 1072505542 /nfs/dbraw/zinc/50/55/42/1072505542.db2.gz XEYSJOIRZIDWSA-IMRQLAEWSA-N 0 0 530.650 6.272 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409132037 1072506826 /nfs/dbraw/zinc/50/68/26/1072506826.db2.gz KOGFLCPZDMXCGW-FMCGGJTJSA-N 0 0 523.452 6.997 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409131760 1072507143 /nfs/dbraw/zinc/50/71/43/1072507143.db2.gz JIKUEJSWOFQBLR-VCYKRWNGSA-N 0 0 562.555 5.043 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccc(Br)cc23)SC1=S ZINC000409131684 1072508404 /nfs/dbraw/zinc/50/84/04/1072508404.db2.gz JDUMBCXZDCXHLB-VAODSVERSA-N 0 0 506.491 5.026 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)S1)c1ccccc1 ZINC000409131497 1072508996 /nfs/dbraw/zinc/50/89/96/1072508996.db2.gz VWVYOOWAURCLDG-JAIQZWGSSA-N 0 0 641.168 7.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409354612 1072514190 /nfs/dbraw/zinc/51/41/90/1072514190.db2.gz AEJKNGXZTUZHHG-STZFKDTASA-N 0 0 547.496 5.255 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409130559 1072514837 /nfs/dbraw/zinc/51/48/37/1072514837.db2.gz IOEJLYWCQCGJPI-OYKKKHCWSA-N 0 0 539.013 5.733 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)SC1=S ZINC000409130131 1072517019 /nfs/dbraw/zinc/51/70/19/1072517019.db2.gz KKOIVFGQTMFJSY-UUYOSTAYSA-N 0 0 515.498 6.321 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409129406 1072520937 /nfs/dbraw/zinc/52/09/37/1072520937.db2.gz GLGFEDOBUKKNPJ-XYGWBWBKSA-N 0 0 502.596 6.234 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(C[C@@H]5CCCO5)C4=O)c3C)cc2)cc1 ZINC000409128866 1072522765 /nfs/dbraw/zinc/52/27/65/1072522765.db2.gz UMWHMSUYHMPOGH-QCOJXGBLSA-N 0 0 520.676 6.275 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000409128741 1072523928 /nfs/dbraw/zinc/52/39/28/1072523928.db2.gz UCNVQWUIYXDALP-ULJHMMPZSA-N 0 0 503.693 5.270 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409128499 1072525557 /nfs/dbraw/zinc/52/55/57/1072525557.db2.gz IJYVTIWRZSWLRK-BKUYFWCQSA-N 0 0 541.398 5.576 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409352708 1072526057 /nfs/dbraw/zinc/52/60/57/1072526057.db2.gz YQXOIWRHXWPFNT-XKZIYDEJSA-N 0 0 607.922 7.246 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409352702 1072526066 /nfs/dbraw/zinc/52/60/66/1072526066.db2.gz YBRMDUZTEFUHQZ-NHDPSOOVSA-N 0 0 591.892 7.004 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1O[C@H](C)CC ZINC000409352116 1072529479 /nfs/dbraw/zinc/52/94/79/1072529479.db2.gz WHVTYJFFMUZAIW-AYPRBGQRSA-N 0 0 526.905 7.084 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)NC2=S)cc1 ZINC000409127767 1072529617 /nfs/dbraw/zinc/52/96/17/1072529617.db2.gz RIQKRGDHYVHUSY-UQQQWYQISA-N 0 0 545.665 5.654 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)SC1=S ZINC000409352043 1072531399 /nfs/dbraw/zinc/53/13/99/1072531399.db2.gz VVBIIJNTRYVVRP-UYRXBGFRSA-N 0 0 539.460 5.880 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)c(Cl)c1 ZINC000409144657 1072533307 /nfs/dbraw/zinc/53/33/07/1072533307.db2.gz YYINFXYAXMTNAH-LPYMAVHISA-N 0 0 513.015 5.913 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409144508 1072533845 /nfs/dbraw/zinc/53/38/45/1072533845.db2.gz KDTKSLGTQITSEP-LICLKQGHSA-N 0 0 541.876 5.364 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144585 1072534421 /nfs/dbraw/zinc/53/44/21/1072534421.db2.gz LQRMVKWUWLXQLS-UFFVCSGVSA-N 0 0 509.609 5.304 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409351400 1072535830 /nfs/dbraw/zinc/53/58/30/1072535830.db2.gz UESYYAJRXDZDCA-JCMHNJIXSA-N 0 0 501.551 6.569 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1O[C@@H](C)CC ZINC000409144199 1072536203 /nfs/dbraw/zinc/53/62/03/1072536203.db2.gz XPEVRBYYSFRQQY-RDHLPREZSA-N 0 0 514.713 5.711 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1F ZINC000409144277 1072536695 /nfs/dbraw/zinc/53/66/95/1072536695.db2.gz JEDKZDHSLVBLBQ-BHGWPJFGSA-N 0 0 678.589 6.467 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409144129 1072537058 /nfs/dbraw/zinc/53/70/58/1072537058.db2.gz NHMQUPVAOZXWAJ-QSLAWHRQSA-N 0 0 531.472 5.971 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)c(C)c1 ZINC000409351263 1072537169 /nfs/dbraw/zinc/53/71/69/1072537169.db2.gz SSCAMSOWZHTYLK-QRVIBDJDSA-N 0 0 544.923 7.704 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409144161 1072537571 /nfs/dbraw/zinc/53/75/71/1072537571.db2.gz JDLGTELRGLTCRQ-SRZZPIQSSA-N 0 0 687.262 7.952 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000409143924 1072538051 /nfs/dbraw/zinc/53/80/51/1072538051.db2.gz OMJKABJEYLCTNS-HAHDFKILSA-N 0 0 537.435 5.827 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409351078 1072538045 /nfs/dbraw/zinc/53/80/45/1072538045.db2.gz ZDHJIIIILKVIGJ-CIAFOILYSA-N 0 0 552.482 6.176 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(Br)c4)c3C)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409143932 1072538109 /nfs/dbraw/zinc/53/81/09/1072538109.db2.gz WYEJWHGRZBNGLS-IVQFASICSA-N 0 0 640.603 6.430 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c(Cl)c1 ZINC000409143811 1072538996 /nfs/dbraw/zinc/53/89/96/1072538996.db2.gz IFFQYXGBARFWFY-WSDLNYQXSA-N 0 0 563.915 7.080 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143639 1072539946 /nfs/dbraw/zinc/53/99/46/1072539946.db2.gz GGHUVOQODBPZBF-UFFVCSGVSA-N 0 0 672.888 7.676 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409143636 1072540026 /nfs/dbraw/zinc/54/00/26/1072540026.db2.gz HTFGMSPBQVLHHN-JOCHJYFZSA-N 0 0 550.902 6.792 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409350785 1072540350 /nfs/dbraw/zinc/54/03/50/1072540350.db2.gz YRMJMDJTWDNSNO-NHDPSOOVSA-N 0 0 598.437 7.600 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409350874 1072540947 /nfs/dbraw/zinc/54/09/47/1072540947.db2.gz SNTXMTAPJQQNGR-ROTLSHHCSA-N 0 0 510.124 7.612 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1Cl ZINC000409350622 1072541423 /nfs/dbraw/zinc/54/14/23/1072541423.db2.gz RVXYODQBMLAAIB-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC ZINC000409350504 1072542221 /nfs/dbraw/zinc/54/22/21/1072542221.db2.gz RQZOWKWHPZIUCD-WQRHYEAKSA-N 0 0 525.433 5.721 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409350565 1072542605 /nfs/dbraw/zinc/54/26/05/1072542605.db2.gz YLNHQNSCJUTEAX-MYYYXRDXSA-N 0 0 566.929 8.241 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409350554 1072542674 /nfs/dbraw/zinc/54/26/74/1072542674.db2.gz YJFAKMINKPUULY-GZTJUZNOSA-N 0 0 556.403 5.403 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409350338 1072543084 /nfs/dbraw/zinc/54/30/84/1072543084.db2.gz YAVZNOZIDWSXGF-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000409143069 1072543204 /nfs/dbraw/zinc/54/32/04/1072543204.db2.gz UHOAWUMLBIONKU-WSDLNYQXSA-N 0 0 668.937 6.526 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409350354 1072543498 /nfs/dbraw/zinc/54/34/98/1072543498.db2.gz RFHIAJJHVCFAHR-OYKKKHCWSA-N 0 0 552.699 5.849 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409350381 1072543541 /nfs/dbraw/zinc/54/35/41/1072543541.db2.gz RMHSWKKPDVPNMJ-RGVLZGJSSA-N 0 0 597.479 6.084 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCC)SC2=S)cc1 ZINC000409350315 1072545272 /nfs/dbraw/zinc/54/52/72/1072545272.db2.gz XUMXBCKGQYPOLD-LICLKQGHSA-N 0 0 637.302 6.099 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409350109 1072545864 /nfs/dbraw/zinc/54/58/64/1072545864.db2.gz XJNFGFROUKFHLE-ZMOGYAJESA-N 0 0 571.145 6.884 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409349973 1072546708 /nfs/dbraw/zinc/54/67/08/1072546708.db2.gz WSTKFHZTIYRGCU-UCQKPKSFSA-N 0 0 568.076 5.221 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142619 1072546794 /nfs/dbraw/zinc/54/67/94/1072546794.db2.gz FAQIGYASHAUUPT-ZRGSRPPYSA-N 0 0 572.712 6.047 40 10 KKCBRN O=C1[C@@H](Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142653 1072546834 /nfs/dbraw/zinc/54/68/34/1072546834.db2.gz FEVXZABNCPHWNW-OAQYLSRUSA-N 0 0 540.896 7.337 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409349868 1072547636 /nfs/dbraw/zinc/54/76/36/1072547636.db2.gz WMWHQWUJIPEKIR-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409349694 1072548849 /nfs/dbraw/zinc/54/88/49/1072548849.db2.gz VVOYOKOMHDZXNG-JJFYIABZSA-N 0 0 591.545 7.119 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409349478 1072549231 /nfs/dbraw/zinc/54/92/31/1072549231.db2.gz PPMUKDNSPHLELV-QFEZKATASA-N 0 0 569.104 6.343 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409142238 1072549782 /nfs/dbraw/zinc/54/97/82/1072549782.db2.gz CRRWZNOWILTOIQ-RMORIDSASA-N 0 0 537.663 5.920 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409349542 1072549738 /nfs/dbraw/zinc/54/97/38/1072549738.db2.gz PYAVYSCVVVGHKC-HMAPJEAMSA-N 0 0 526.477 6.751 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349296 1072550277 /nfs/dbraw/zinc/55/02/77/1072550277.db2.gz VOJRCRUHVNWXEO-FBHDLOMBSA-N 0 0 613.755 7.989 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3OCC)SC2=S)cc1 ZINC000409349148 1072550648 /nfs/dbraw/zinc/55/06/48/1072550648.db2.gz UQFUKGYBPHQYPJ-JFLMPSFJSA-N 0 0 519.732 7.358 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409349264 1072551587 /nfs/dbraw/zinc/55/15/87/1072551587.db2.gz VHOZAYIZHZNOSK-HMAPJEAMSA-N 0 0 559.496 6.517 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409349273 1072552116 /nfs/dbraw/zinc/55/21/16/1072552116.db2.gz VGRIXACPIMUWAW-SSDVNMTOSA-N 0 0 731.815 7.999 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409141469 1072553079 /nfs/dbraw/zinc/55/30/79/1072553079.db2.gz JXLADGLLKKXMOR-LGJNPRDNSA-N 0 0 635.038 7.927 40 10 KKCBRN CCN1C(=O)[C@H](Cc2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)SC1=S ZINC000409141446 1072553178 /nfs/dbraw/zinc/55/31/78/1072553178.db2.gz NXJLSQFXRMJWLF-SFHVURJKSA-N 0 0 500.867 5.481 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409141315 1072553999 /nfs/dbraw/zinc/55/39/99/1072553999.db2.gz IBEYPWCQNAADPC-INYMYLBXSA-N 0 0 582.372 7.139 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409348760 1072554250 /nfs/dbraw/zinc/55/42/50/1072554250.db2.gz PIFPRCSLCNHCQB-WPWMEQJKSA-N 0 0 502.705 7.134 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409348585 1072555131 /nfs/dbraw/zinc/55/51/31/1072555131.db2.gz NNGSUIKTRKZDTK-LPYMAVHISA-N 0 0 530.440 6.582 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409348619 1072555657 /nfs/dbraw/zinc/55/56/57/1072555657.db2.gz NUAWNJWASJCUAQ-KSEXSDGBSA-N 0 0 588.476 6.700 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409348540 1072556902 /nfs/dbraw/zinc/55/69/02/1072556902.db2.gz OIFYSVUMTHEOCD-MTJSOVHGSA-N 0 0 517.415 6.886 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1Cc1ccco1 ZINC000409140644 1072558501 /nfs/dbraw/zinc/55/85/01/1072558501.db2.gz HEPBHBUCGQDJFA-IWIPYMOSSA-N 0 0 509.052 6.758 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)c(Cl)c1 ZINC000409140627 1072558575 /nfs/dbraw/zinc/55/85/75/1072558575.db2.gz KYDXQJBJEQOSHM-XKZIYDEJSA-N 0 0 573.921 6.536 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409348166 1072558673 /nfs/dbraw/zinc/55/86/73/1072558673.db2.gz RNFQJVCWKVSGNT-MIXAMLLLSA-N 0 0 525.695 7.840 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409348265 1072559017 /nfs/dbraw/zinc/55/90/17/1072559017.db2.gz SHEHBBJOVROXLE-MTJSOVHGSA-N 0 0 609.792 8.158 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409140327 1072560467 /nfs/dbraw/zinc/56/04/67/1072560467.db2.gz RJBUSVGZDCFDRP-MYYYXRDXSA-N 0 0 543.585 8.340 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409347887 1072560528 /nfs/dbraw/zinc/56/05/28/1072560528.db2.gz NJCLFUOOVPFDEA-UUASQNMZSA-N 0 0 662.139 7.007 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000409347770 1072561437 /nfs/dbraw/zinc/56/14/37/1072561437.db2.gz RFKWZVCVXFQYKK-NDENLUEZSA-N 0 0 504.416 6.836 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000409139638 1072563468 /nfs/dbraw/zinc/56/34/68/1072563468.db2.gz CBCJIIWPPGNYLR-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1Cl ZINC000409347532 1072564324 /nfs/dbraw/zinc/56/43/24/1072564324.db2.gz QIOCMGWYIDGPQH-UFFVCSGVSA-N 0 0 719.791 7.543 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409347537 1072564365 /nfs/dbraw/zinc/56/43/65/1072564365.db2.gz QEYGAKGARMXMHX-QFEZKATASA-N 0 0 597.556 6.806 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)cc2OC)cc1 ZINC000409347350 1072564651 /nfs/dbraw/zinc/56/46/51/1072564651.db2.gz PLBOGORQNALIDL-MTDXEUNCSA-N 0 0 554.693 6.834 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409347324 1072564701 /nfs/dbraw/zinc/56/47/01/1072564701.db2.gz PNVWTVMKYTXWHV-OEAKJJBVSA-N 0 0 637.948 7.337 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000409347374 1072564806 /nfs/dbraw/zinc/56/48/06/1072564806.db2.gz PQVHUXVMCTYANI-MTDXEUNCSA-N 0 0 527.667 7.232 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409139252 1072565753 /nfs/dbraw/zinc/56/57/53/1072565753.db2.gz AWSIUXZPHHKIPU-DHRITJCHSA-N 0 0 627.626 6.876 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC1=S ZINC000409139006 1072567477 /nfs/dbraw/zinc/56/74/77/1072567477.db2.gz LDHMVLSFLKSYKE-JMIUGGIZSA-N 0 0 505.434 5.439 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409138878 1072568585 /nfs/dbraw/zinc/56/85/85/1072568585.db2.gz JEYYECIKSGJTJU-QSLAWHRQSA-N 0 0 592.378 6.595 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)S1)c1ccccc1 ZINC000409138598 1072570308 /nfs/dbraw/zinc/57/03/08/1072570308.db2.gz FFSROPGYVJEBOK-NDENLUEZSA-N 0 0 590.268 6.330 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409138246 1072571303 /nfs/dbraw/zinc/57/13/03/1072571303.db2.gz ZURQNCZOMLTJSD-XKZIYDEJSA-N 0 0 653.325 6.976 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409137493 1072574874 /nfs/dbraw/zinc/57/48/74/1072574874.db2.gz VKRSMFVFQFHDEX-JMIUGGIZSA-N 0 0 521.889 5.953 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409137444 1072576243 /nfs/dbraw/zinc/57/62/43/1072576243.db2.gz WKVRYQQSNQAQSI-QQXSKIMKSA-N 0 0 516.623 6.542 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409146515 1072580480 /nfs/dbraw/zinc/58/04/80/1072580480.db2.gz UBNFGNZSSFBUHR-FBHDLOMBSA-N 0 0 550.920 6.909 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146789 1072580599 /nfs/dbraw/zinc/58/05/99/1072580599.db2.gz VJBQSVIKBMSQKR-NUGSKGIGSA-N 0 0 682.540 7.617 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365198 1072580722 /nfs/dbraw/zinc/58/07/22/1072580722.db2.gz TVUCKOXGDKXCBF-UHFFFAOYSA-N 0 0 705.480 6.430 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409146227 1072582414 /nfs/dbraw/zinc/58/24/14/1072582414.db2.gz RSYOHXMFOVHHNN-MSXFZWOLSA-N 0 0 538.525 7.355 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409146111 1072583353 /nfs/dbraw/zinc/58/33/53/1072583353.db2.gz JKNCMOAGTLPEJW-ROTLSHHCSA-N 0 0 579.497 6.617 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409145852 1072585175 /nfs/dbraw/zinc/58/51/75/1072585175.db2.gz OZDSPOKMBCUCCW-LGJNPRDNSA-N 0 0 593.727 6.021 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409364275 1072585558 /nfs/dbraw/zinc/58/55/58/1072585558.db2.gz WXQGNYOWUVGCFO-SIYAZZHDSA-N 0 0 576.126 7.225 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(Br)cc1O ZINC000409145593 1072586955 /nfs/dbraw/zinc/58/69/55/1072586955.db2.gz OOOAVLZFVRCISX-GXHLCREISA-N 0 0 537.501 5.002 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409363866 1072588322 /nfs/dbraw/zinc/58/83/22/1072588322.db2.gz JLXGEGASRHDIBS-MTJSOVHGSA-N 0 0 581.941 5.908 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)Sc3ccccc3N4C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409145079 1072589258 /nfs/dbraw/zinc/58/92/58/1072589258.db2.gz MDGGWBZFPQOFKQ-PQRKSKNISA-N 0 0 582.751 5.097 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)c(Cl)c1 ZINC000409144897 1072589861 /nfs/dbraw/zinc/58/98/61/1072589861.db2.gz LPOUBUXPFGCKGL-QQXSKIMKSA-N 0 0 545.085 6.927 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409144925 1072589874 /nfs/dbraw/zinc/58/98/74/1072589874.db2.gz OPMZUIUMXWMJKJ-UZXDDYOISA-N 0 0 503.693 6.011 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)cc1Cl ZINC000409363075 1072591506 /nfs/dbraw/zinc/59/15/06/1072591506.db2.gz SXAQRQSTKGPMIG-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157227 1072591616 /nfs/dbraw/zinc/59/16/16/1072591616.db2.gz ICWGOOOGHYUZHW-DYLHXGEVSA-N 0 0 555.856 7.733 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409362448 1072594005 /nfs/dbraw/zinc/59/40/05/1072594005.db2.gz UWSHAFOJSZLNKF-VULFUBBASA-N 0 0 541.654 6.031 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)N2 ZINC000409156710 1072594351 /nfs/dbraw/zinc/59/43/51/1072594351.db2.gz OYABXWPYGATENA-RYUVBPIJSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362553 1072594406 /nfs/dbraw/zinc/59/44/06/1072594406.db2.gz HXRAWLYMOWWEJW-UHFFFAOYSA-N 0 0 691.453 6.040 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409155398 1072600456 /nfs/dbraw/zinc/60/04/56/1072600456.db2.gz IPLWZTHULDGZAH-VHFRWLAGSA-N 0 0 534.450 6.958 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409155236 1072601776 /nfs/dbraw/zinc/60/17/76/1072601776.db2.gz QLHPBOVQBANGSD-WGOQTCKBSA-N 0 0 550.080 6.440 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409154788 1072604559 /nfs/dbraw/zinc/60/45/59/1072604559.db2.gz KVKPEVTWIQGKRU-MVYHEMRASA-N 0 0 579.749 9.132 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409154046 1072608765 /nfs/dbraw/zinc/60/87/65/1072608765.db2.gz JQFLCIJDANHWJL-UZEJHQAJSA-N 0 0 565.722 8.823 40 10 KKCBRN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409359993 1072609924 /nfs/dbraw/zinc/60/99/24/1072609924.db2.gz NUTCEGNACNIICG-NVQSTNCTSA-N 0 0 534.045 6.028 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409359605 1072612900 /nfs/dbraw/zinc/61/29/00/1072612900.db2.gz OZXMMQGPHWDXNY-ROTLSHHCSA-N 0 0 640.968 7.139 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152728 1072616866 /nfs/dbraw/zinc/61/68/66/1072616866.db2.gz BQCTXCPSIYDEFQ-WQQNLHNWSA-N 0 0 572.930 9.184 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152721 1072616906 /nfs/dbraw/zinc/61/69/06/1072616906.db2.gz BQCTXCPSIYDEFQ-LNFMTQTQSA-N 0 0 572.930 9.184 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409358487 1072620669 /nfs/dbraw/zinc/62/06/69/1072620669.db2.gz UXDLXJMEMITFAV-BRJLIKDPSA-N 0 0 596.517 7.030 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409151385 1072623929 /nfs/dbraw/zinc/62/39/29/1072623929.db2.gz GLSVCGDPVURSPD-KYTVRQNUSA-N 0 0 579.749 9.132 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151058 1072625451 /nfs/dbraw/zinc/62/54/51/1072625451.db2.gz GIUSWTSELBSLJC-GLDPYIMESA-N 0 0 593.718 8.418 40 10 KKCBRN CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409149428 1072635625 /nfs/dbraw/zinc/63/56/25/1072635625.db2.gz GAHLZABTBFWNLX-FQEVSTJZSA-N 0 0 500.469 5.389 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409148730 1072640443 /nfs/dbraw/zinc/64/04/43/1072640443.db2.gz QYQHGNMHXVSBNG-NLKUQUHMSA-N 0 0 507.681 5.599 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)S1)c1ccccc1 ZINC000409148565 1072641089 /nfs/dbraw/zinc/64/10/89/1072641089.db2.gz QNVICRWEKQOVDR-NHDPSOOVSA-N 0 0 609.272 6.577 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409373460 1072641865 /nfs/dbraw/zinc/64/18/65/1072641865.db2.gz WGXOFLVXHMJZKE-WCSRMQSCSA-N 0 0 549.255 5.408 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409148335 1072643411 /nfs/dbraw/zinc/64/34/11/1072643411.db2.gz YPSWDZCCQNMRBS-JJFYIABZSA-N 0 0 503.520 7.416 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1)c1ccccc1 ZINC000409148138 1072643902 /nfs/dbraw/zinc/64/39/02/1072643902.db2.gz YEMIOVFFOLVBLB-NDENLUEZSA-N 0 0 501.366 6.112 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409372878 1072644008 /nfs/dbraw/zinc/64/40/08/1072644008.db2.gz PKOMKUQMMLOWHQ-ODLFYWEKSA-N 0 0 526.467 6.119 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409147843 1072645875 /nfs/dbraw/zinc/64/58/75/1072645875.db2.gz WOQMXFATRSAWLJ-FMCGGJTJSA-N 0 0 569.550 5.603 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc(C)c1 ZINC000409147670 1072646447 /nfs/dbraw/zinc/64/64/47/1072646447.db2.gz YNQOBWQMOOUMJR-VYYCAZPPSA-N 0 0 562.757 6.422 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147393 1072648919 /nfs/dbraw/zinc/64/89/19/1072648919.db2.gz XIQLDRYGLUINMZ-MBTHVWNTSA-N 0 0 554.737 6.868 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409371602 1072649172 /nfs/dbraw/zinc/64/91/72/1072649172.db2.gz INZCGQMFUJJGTJ-APSNUPSMSA-N 0 0 595.313 6.180 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165826 1072652686 /nfs/dbraw/zinc/65/26/86/1072652686.db2.gz AKTHFHAXWGRICI-YTZAWJCFSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165703 1072653662 /nfs/dbraw/zinc/65/36/62/1072653662.db2.gz AYXKMXFEMIVSNP-XFAGBWLFSA-N 0 0 576.274 8.078 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409369006 1072660226 /nfs/dbraw/zinc/66/02/26/1072660226.db2.gz WXQJUZLPBFVROH-CFRMEGHHSA-N 0 0 631.563 6.656 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1I ZINC000409368783 1072662603 /nfs/dbraw/zinc/66/26/03/1072662603.db2.gz MDYBRQKJDFILIF-CHHVJCJISA-N 0 0 580.256 5.545 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000409368318 1072665468 /nfs/dbraw/zinc/66/54/68/1072665468.db2.gz XSXDMOYMGRJHAN-VGOFMYFVSA-N 0 0 503.230 5.694 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409368367 1072665546 /nfs/dbraw/zinc/66/55/46/1072665546.db2.gz ZUUJDRHONJPIMZ-UUYOSTAYSA-N 0 0 603.509 5.957 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409368179 1072666059 /nfs/dbraw/zinc/66/60/59/1072666059.db2.gz OIZWXQJELBGEMU-FMCGGJTJSA-N 0 0 617.536 6.266 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409368097 1072667264 /nfs/dbraw/zinc/66/72/64/1072667264.db2.gz RFOOCZANXYIVFP-FSJBWODESA-N 0 0 619.508 6.817 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409162986 1072667524 /nfs/dbraw/zinc/66/75/24/1072667524.db2.gz KIIZFDMKGYPYDU-RJYGXOMWSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409367829 1072668781 /nfs/dbraw/zinc/66/87/81/1072668781.db2.gz HVIHWJAXBIOETN-UFFVCSGVSA-N 0 0 657.370 7.421 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)c(Cl)c1 ZINC000409162541 1072670602 /nfs/dbraw/zinc/67/06/02/1072670602.db2.gz WWUFYXIWPMXNJC-UCQKPKSFSA-N 0 0 552.077 5.521 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409162185 1072672197 /nfs/dbraw/zinc/67/21/97/1072672197.db2.gz SQVZLSWOPACUIL-QRVIBDJDSA-N 0 0 650.947 6.387 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409161805 1072675178 /nfs/dbraw/zinc/67/51/78/1072675178.db2.gz PVUAKIPBLHVRMT-YDZHTSKRSA-N 0 0 699.419 7.430 40 10 KKCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccccc4F)c(Cl)c3)SC2=S)cc1 ZINC000409161733 1072675235 /nfs/dbraw/zinc/67/52/35/1072675235.db2.gz PGBJAOZKMCJNDU-QHCPKHFHSA-N 0 0 502.032 6.038 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409161618 1072676146 /nfs/dbraw/zinc/67/61/46/1072676146.db2.gz NNRQIKCFROCKBZ-MSXFZWOLSA-N 0 0 569.148 6.376 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409161583 1072676206 /nfs/dbraw/zinc/67/62/06/1072676206.db2.gz WCKQWFSZFVOIQK-XFAGBWLFSA-N 0 0 599.274 9.189 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)c(Cl)c1 ZINC000409161259 1072677736 /nfs/dbraw/zinc/67/77/36/1072677736.db2.gz LOVXMAXUSIDAOM-UUYOSTAYSA-N 0 0 604.087 5.179 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409378165 1072677832 /nfs/dbraw/zinc/67/78/32/1072677832.db2.gz MYUPBXUJJJFGMN-GRSHGNNSSA-N 0 0 512.878 6.301 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409161388 1072678274 /nfs/dbraw/zinc/67/82/74/1072678274.db2.gz ULQIQJNORXTLDO-NHDPSOOVSA-N 0 0 517.504 5.927 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409160667 1072680891 /nfs/dbraw/zinc/68/08/91/1072680891.db2.gz VRNFYDWJHDKRTF-DPOKWSEZSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160217 1072685042 /nfs/dbraw/zinc/68/50/42/1072685042.db2.gz WIBMZCBUQABUAS-YTZAWJCFSA-N 0 0 575.728 8.279 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409385351 1072694350 /nfs/dbraw/zinc/69/43/50/1072694350.db2.gz HWWNQMHTLAEKGS-MSXFZWOLSA-N 0 0 540.472 6.022 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)o1 ZINC000409384957 1072695702 /nfs/dbraw/zinc/69/57/02/1072695702.db2.gz HDHXTBHNEAKDET-VXLYETTFSA-N 0 0 505.379 6.017 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157295 1072699727 /nfs/dbraw/zinc/69/97/27/1072699727.db2.gz IFHGLSCCTMRJAZ-SRGWNRLKSA-N 0 0 599.274 9.189 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166599 1072703734 /nfs/dbraw/zinc/70/37/34/1072703734.db2.gz DHXAIPSPXQFCFF-UZINWLIJSA-N 0 0 535.438 7.388 40 10 KKCBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(N(C)C)c(Br)c2)cc1 ZINC000409176714 1072710770 /nfs/dbraw/zinc/71/07/70/1072710770.db2.gz VVQIILMWEBNMHR-GDLZYMKVSA-N 0 0 526.478 7.189 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409175956 1072713913 /nfs/dbraw/zinc/71/39/13/1072713913.db2.gz FYWBFUZZUYHJQK-LSFURLLWSA-N 0 0 554.879 7.779 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409380647 1072717261 /nfs/dbraw/zinc/71/72/61/1072717261.db2.gz ALAFLWMYFBAIRJ-MNBJERMJSA-N 0 0 612.151 6.948 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1F ZINC000409380126 1072718795 /nfs/dbraw/zinc/71/87/95/1072718795.db2.gz IOOXKVRAAMUQGK-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409379946 1072721418 /nfs/dbraw/zinc/72/14/18/1072721418.db2.gz CWSDQHHWLCQSRC-YKQZZPSBSA-N 0 0 624.744 6.775 40 10 KKCBRN COC(=O)c1ccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c3ccccc32)o1 ZINC000409392145 1072726656 /nfs/dbraw/zinc/72/66/56/1072726656.db2.gz LMHBLSIFOAVZOX-UHFFFAOYSA-N 0 0 545.551 5.653 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409173051 1072730802 /nfs/dbraw/zinc/73/08/02/1072730802.db2.gz LESUWABCJIOILP-BHGWPJFGSA-N 0 0 635.964 7.290 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)o1 ZINC000409389859 1072731557 /nfs/dbraw/zinc/73/15/57/1072731557.db2.gz QBJNGXSXIOYHMG-QQXSKIMKSA-N 0 0 512.587 6.377 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409169028 1072751990 /nfs/dbraw/zinc/75/19/90/1072751990.db2.gz PAIBTGOEUDDWJU-SRZZPIQSSA-N 0 0 500.407 6.076 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167491 1072760888 /nfs/dbraw/zinc/76/08/88/1072760888.db2.gz IQLNVYHKZKBIAR-NTWBYJAHSA-N 0 0 572.930 9.184 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186241 1072762376 /nfs/dbraw/zinc/76/23/76/1072762376.db2.gz ZICNKTHQYLKWDP-DIOBQVABSA-N 0 0 722.694 8.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186222 1072762399 /nfs/dbraw/zinc/76/23/99/1072762399.db2.gz ZBVONZYKCZPERL-NYYQTREMSA-N 0 0 809.726 8.272 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186280 1072762758 /nfs/dbraw/zinc/76/27/58/1072762758.db2.gz ZXRGKQKDKUGCGQ-ZEAITDPVSA-N 0 0 654.836 7.796 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186244 1072762845 /nfs/dbraw/zinc/76/28/45/1072762845.db2.gz ZJPGAVUTEXXJJV-NYYQTREMSA-N 0 0 746.727 8.730 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186134 1072764170 /nfs/dbraw/zinc/76/41/70/1072764170.db2.gz XGWNFDJLVRAGEL-JEGIBLKPSA-N 0 0 627.122 6.641 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186158 1072764437 /nfs/dbraw/zinc/76/44/37/1072764437.db2.gz XUEOZVNRRVRDEV-XAKAHBONSA-N 0 0 817.205 10.228 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186197 1072765051 /nfs/dbraw/zinc/76/50/51/1072765051.db2.gz YQEYPOTYNDXNFM-SCRXMSBISA-N 0 0 758.691 6.793 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185921 1072765075 /nfs/dbraw/zinc/76/50/75/1072765075.db2.gz SPDMHRCVKLMQLK-BQTOIFOTSA-N 0 0 726.902 9.236 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186022 1072765809 /nfs/dbraw/zinc/76/58/09/1072765809.db2.gz VITROZFBHCGEMV-VJJKPSKZSA-N 0 0 671.794 7.798 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409404507 1072765829 /nfs/dbraw/zinc/76/58/29/1072765829.db2.gz DLWQTRRELVXJSR-GRSHGNNSSA-N 0 0 562.247 6.195 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185775 1072766308 /nfs/dbraw/zinc/76/63/08/1072766308.db2.gz PXOLMIHHYUNEOQ-ZOWMRNBESA-N 0 0 782.760 9.575 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)ccc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185849 1072767222 /nfs/dbraw/zinc/76/72/22/1072767222.db2.gz RHGKJXJZUKFOOU-NZKIHYCISA-N 0 0 612.151 6.742 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(O)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185866 1072767597 /nfs/dbraw/zinc/76/75/97/1072767597.db2.gz RSFFGXZIFGHQLQ-QICITKFESA-N 0 0 672.601 6.557 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185880 1072767658 /nfs/dbraw/zinc/76/76/58/1072767658.db2.gz RWHPIOCWACOIHQ-QICITKFESA-N 0 0 628.150 6.447 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185709 1072768843 /nfs/dbraw/zinc/76/88/43/1072768843.db2.gz OXNROVPYMOIIJX-NYYQTREMSA-N 0 0 793.727 8.572 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185369 1072770763 /nfs/dbraw/zinc/77/07/63/1072770763.db2.gz KWYHWVOGPMOZJL-HGTXDYBSSA-N 0 0 827.716 8.411 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409185421 1072771255 /nfs/dbraw/zinc/77/12/55/1072771255.db2.gz LIMITFRVKQWRSY-QRQIAZFYSA-N 0 0 607.084 5.790 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185203 1072771635 /nfs/dbraw/zinc/77/16/35/1072771635.db2.gz KGYLYPYHEPDIKY-FZLKQKSASA-N 0 0 732.302 8.711 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)o1 ZINC000409403108 1072772986 /nfs/dbraw/zinc/77/29/86/1072772986.db2.gz YRWXXEHGFVEYLW-YSMPRRRNSA-N 0 0 570.558 5.054 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184784 1072774007 /nfs/dbraw/zinc/77/40/07/1072774007.db2.gz HSMLUJGXOKWWKZ-CSYWGFILSA-N 0 0 633.814 7.520 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184875 1072774952 /nfs/dbraw/zinc/77/49/52/1072774952.db2.gz YPAHYFPFDIYZBA-QDMXNRRBSA-N 0 0 635.786 6.876 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184613 1072774959 /nfs/dbraw/zinc/77/49/59/1072774959.db2.gz HJKVERDGYFEIIP-RQBSVBTHSA-N 0 0 940.041 9.521 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184620 1072775308 /nfs/dbraw/zinc/77/53/08/1072775308.db2.gz HLRXSSZNPORSKA-HWFKBBKOSA-N 0 0 768.335 9.474 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184623 1072775356 /nfs/dbraw/zinc/77/53/56/1072775356.db2.gz HNAUTKDJXZSPBT-QTSPTMTHSA-N 0 0 682.629 8.647 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccncc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184594 1072777243 /nfs/dbraw/zinc/77/72/43/1072777243.db2.gz HCSHYHBOBLWTJR-CCGKSOKTSA-N 0 0 548.668 5.475 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C2=O)o1 ZINC000409401936 1072778925 /nfs/dbraw/zinc/77/89/25/1072778925.db2.gz UMVQITDCGKYSCK-XYGWBWBKSA-N 0 0 612.708 6.068 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409184076 1072779026 /nfs/dbraw/zinc/77/90/26/1072779026.db2.gz WOAMGAYYHHEHQW-KSEXSDGBSA-N 0 0 523.998 6.796 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184069 1072779078 /nfs/dbraw/zinc/77/90/78/1072779078.db2.gz DYOPUWARAPMXEB-PHWURLNWSA-N 0 0 728.827 7.576 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184142 1072779513 /nfs/dbraw/zinc/77/95/13/1072779513.db2.gz FKEPWHUQVUVSTA-ZZUMRLJVSA-N 0 0 580.710 5.739 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409401754 1072779829 /nfs/dbraw/zinc/77/98/29/1072779829.db2.gz ZOZFUQFHPHKTFT-MOSHPQCFSA-N 0 0 528.200 5.252 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCC(=O)OCC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183795 1072780750 /nfs/dbraw/zinc/78/07/50/1072780750.db2.gz STHUMLYISNWFTQ-WUZIEQONSA-N 0 0 772.718 7.183 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183847 1072781199 /nfs/dbraw/zinc/78/11/99/1072781199.db2.gz UBYUTLDCGIBTTG-LDQPIKMASA-N 0 0 821.750 8.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183688 1072782196 /nfs/dbraw/zinc/78/21/96/1072782196.db2.gz DASYUNVLVJARDK-UJBYRJLJSA-N 0 0 807.723 8.338 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183645 1072782315 /nfs/dbraw/zinc/78/23/15/1072782315.db2.gz CSTOXTMQCFBAJR-QICITKFESA-N 0 0 646.596 7.395 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183553 1072783423 /nfs/dbraw/zinc/78/34/23/1072783423.db2.gz BTVHYSLWEUPMJY-WMGYHRCKSA-N 0 0 927.486 10.333 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183298 1072783497 /nfs/dbraw/zinc/78/34/97/1072783497.db2.gz RIAPAKKFHCQDST-LSIOTESISA-N 0 0 658.799 7.626 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183306 1072783516 /nfs/dbraw/zinc/78/35/16/1072783516.db2.gz BEZNZKZZCDLZPV-UPQXCOSDSA-N 0 0 582.125 6.733 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S)c1ccccc1 ZINC000409182859 1072787235 /nfs/dbraw/zinc/78/72/35/1072787235.db2.gz OTZGXBODPUPAPU-UCQKPKSFSA-N 0 0 514.588 5.144 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409182054 1072792847 /nfs/dbraw/zinc/79/28/47/1072792847.db2.gz HZUSQDNKXAGMMO-UVHMKAGCSA-N 0 0 652.129 6.095 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182098 1072793417 /nfs/dbraw/zinc/79/34/17/1072793417.db2.gz ICMSCTHYCMMSGK-QRONUTASSA-N 0 0 668.863 8.104 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409181657 1072796106 /nfs/dbraw/zinc/79/61/06/1072796106.db2.gz FSFDIKBBVDLZTK-CCVNUDIWSA-N 0 0 612.579 7.710 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409180932 1072801663 /nfs/dbraw/zinc/80/16/63/1072801663.db2.gz VDDXSLLIZYCAQP-JFLMPSFJSA-N 0 0 550.076 8.016 40 10 KKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409180199 1072806353 /nfs/dbraw/zinc/80/63/53/1072806353.db2.gz WXLRJMHNJLUETG-MNCGJLFKSA-N 0 0 508.534 6.857 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409179370 1072810111 /nfs/dbraw/zinc/81/01/11/1072810111.db2.gz RLIMTANRFPFQDH-AFPJDJCSSA-N 0 0 647.802 8.932 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409197203 1072826249 /nfs/dbraw/zinc/82/62/49/1072826249.db2.gz YJUBBEUPPYVBSD-CIAFOILYSA-N 0 0 534.442 6.845 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)C1=O ZINC000409196883 1072828048 /nfs/dbraw/zinc/82/80/48/1072828048.db2.gz RUBIBZJBVYJZGV-RGVLZGJSSA-N 0 0 534.863 5.686 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409196965 1072828586 /nfs/dbraw/zinc/82/85/86/1072828586.db2.gz UAZNPBGBYRBIRY-JJFYIABZSA-N 0 0 512.996 6.242 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409196727 1072828821 /nfs/dbraw/zinc/82/88/21/1072828821.db2.gz WOLCWWGERAPYPE-NTFVMDSBSA-N 0 0 568.123 7.351 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409196722 1072830747 /nfs/dbraw/zinc/83/07/47/1072830747.db2.gz WLISHURDARXLDF-UUYOSTAYSA-N 0 0 638.346 7.047 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409196532 1072831607 /nfs/dbraw/zinc/83/16/07/1072831607.db2.gz OYLZLXDOSKQTMQ-XKZIYDEJSA-N 0 0 560.922 7.486 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409196065 1072833704 /nfs/dbraw/zinc/83/37/04/1072833704.db2.gz SRHBVJAKGBHSOT-KEBDBYFISA-N 0 0 598.422 7.124 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409195891 1072834548 /nfs/dbraw/zinc/83/45/48/1072834548.db2.gz RTTXHGKRNJPINX-CIAFOILYSA-N 0 0 553.489 5.036 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195838 1072835810 /nfs/dbraw/zinc/83/58/10/1072835810.db2.gz LONLLXLNYRPEJS-MTJSOVHGSA-N 0 0 571.036 5.689 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409195348 1072837667 /nfs/dbraw/zinc/83/76/67/1072837667.db2.gz OUDLKYXIVGCCLL-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409195365 1072837701 /nfs/dbraw/zinc/83/77/01/1072837701.db2.gz PBJNVQMBLJWKOW-CVKSISIWSA-N 0 0 702.433 8.590 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409194439 1072843182 /nfs/dbraw/zinc/84/31/82/1072843182.db2.gz LJSAZIIZAVRXLP-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409194503 1072843661 /nfs/dbraw/zinc/84/36/61/1072843661.db2.gz MLIYNJXKPOKDMI-OYKKKHCWSA-N 0 0 540.504 7.141 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409193472 1072850150 /nfs/dbraw/zinc/85/01/50/1072850150.db2.gz DJXXFYPOBQEWGQ-SSDVNMTOSA-N 0 0 674.263 8.902 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409193156 1072851672 /nfs/dbraw/zinc/85/16/72/1072851672.db2.gz DCAQWHILYIGFGH-MKMNVTDBSA-N 0 0 658.118 6.073 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409189963 1072873326 /nfs/dbraw/zinc/87/33/26/1072873326.db2.gz OOWODHWUQVXZAN-UHFFFAOYSA-N 0 0 632.308 7.374 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409189537 1072876136 /nfs/dbraw/zinc/87/61/36/1072876136.db2.gz HQERRBJBIUGWOY-JVWAILMASA-N 0 0 533.024 7.707 40 10 KKCBRN O=C1/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409197305 1072886448 /nfs/dbraw/zinc/88/64/48/1072886448.db2.gz AZJFFPQMPCTOLT-CPSFFCFKSA-N 0 0 524.632 6.723 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207051 1072888212 /nfs/dbraw/zinc/88/82/12/1072888212.db2.gz ZODTXHJOXLVALO-JMIUGGIZSA-N 0 0 592.880 7.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409206879 1072888885 /nfs/dbraw/zinc/88/88/85/1072888885.db2.gz QUPKNCNHEJESMN-WSDLNYQXSA-N 0 0 540.579 5.650 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409206590 1072890964 /nfs/dbraw/zinc/89/09/64/1072890964.db2.gz XMDVUGIPPGWJRH-FSJBWODESA-N 0 0 539.907 7.511 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000409206610 1072891401 /nfs/dbraw/zinc/89/14/01/1072891401.db2.gz YGEZKYQZRDLFGV-HZHRSRAPSA-N 0 0 502.617 5.192 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1Cl ZINC000409205699 1072896598 /nfs/dbraw/zinc/89/65/98/1072896598.db2.gz SIZNJQPFMNMIQL-QRVIBDJDSA-N 0 0 553.061 5.858 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O ZINC000409205322 1072899491 /nfs/dbraw/zinc/89/94/91/1072899491.db2.gz POTXUSVARGDPJR-OVCLIPMQSA-N 0 0 515.248 5.722 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409205287 1072899587 /nfs/dbraw/zinc/89/95/87/1072899587.db2.gz BCVUMFPKPADJNU-PPOKSSTKSA-N 0 0 591.736 8.208 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409204357 1072905085 /nfs/dbraw/zinc/90/50/85/1072905085.db2.gz GHVZTKSTSLADPK-WGOQTCKBSA-N 0 0 640.568 7.378 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)ccc1Cl ZINC000409204240 1072906095 /nfs/dbraw/zinc/90/60/95/1072906095.db2.gz CYMFELLFRLNQDQ-HYARGMPZSA-N 0 0 513.040 6.249 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409204024 1072906453 /nfs/dbraw/zinc/90/64/53/1072906453.db2.gz BSKQKTCDQSBORR-HYARGMPZSA-N 0 0 523.035 5.850 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409204116 1072907042 /nfs/dbraw/zinc/90/70/42/1072907042.db2.gz BIUGAUDBYQVSNX-NHDPSOOVSA-N 0 0 606.317 7.105 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409202470 1072912987 /nfs/dbraw/zinc/91/29/87/1072912987.db2.gz SQMMNLLKRNGHBP-SSDVNMTOSA-N 0 0 602.444 6.862 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409199188 1072926962 /nfs/dbraw/zinc/92/69/62/1072926962.db2.gz HKYDGDJMZVZUMS-ZVHZXABRSA-N 0 0 567.530 6.996 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409199039 1072927431 /nfs/dbraw/zinc/92/74/31/1072927431.db2.gz NKQVPKMIFXSSSE-VCHYOVAHSA-N 0 0 511.249 7.422 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000409198831 1072927945 /nfs/dbraw/zinc/92/79/45/1072927945.db2.gz FTZYAGQGHJAEAO-TWKHWXDSSA-N 0 0 603.700 6.156 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)cc2)cc1 ZINC000409198759 1072928951 /nfs/dbraw/zinc/92/89/51/1072928951.db2.gz FAZVXIVFNZOPEC-YZSQISJMSA-N 0 0 538.650 6.350 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409198603 1072930042 /nfs/dbraw/zinc/93/00/42/1072930042.db2.gz IKARGTZVFSZSAG-CIAFOILYSA-N 0 0 547.471 6.132 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197731 1072934767 /nfs/dbraw/zinc/93/47/67/1072934767.db2.gz NKPOKDBVCORHHW-OEAKJJBVSA-N 0 0 587.504 6.901 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409197502 1072935138 /nfs/dbraw/zinc/93/51/38/1072935138.db2.gz HEJUEPGZFZDRSG-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409197544 1072935571 /nfs/dbraw/zinc/93/55/71/1072935571.db2.gz IKCJWQAOQFEJHK-SSDVNMTOSA-N 0 0 625.444 7.973 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409207429 1072942259 /nfs/dbraw/zinc/94/22/59/1072942259.db2.gz WRXGGHMVSDGNQV-VFCFBJKWSA-N 0 0 518.617 7.212 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409207653 1072942351 /nfs/dbraw/zinc/94/23/51/1072942351.db2.gz ZKGUJQXJZSOCKZ-OEAKJJBVSA-N 0 0 509.609 5.528 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409227125 1072971176 /nfs/dbraw/zinc/97/11/76/1072971176.db2.gz PATITWMFKSZXGL-STBIYBPSSA-N 0 0 526.036 6.728 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000409226593 1072973714 /nfs/dbraw/zinc/97/37/14/1072973714.db2.gz UZQUTMWROJISIW-WPWMEQJKSA-N 0 0 500.620 6.031 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1Cl ZINC000409226421 1072974008 /nfs/dbraw/zinc/97/40/08/1072974008.db2.gz NUAXJXSEFDRTDK-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226239 1072974718 /nfs/dbraw/zinc/97/47/18/1072974718.db2.gz QBZXYTQKJQWYRU-UHFFFAOYSA-N 0 0 596.039 6.340 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409225730 1072977403 /nfs/dbraw/zinc/97/74/03/1072977403.db2.gz KODGDYPTDPHSGR-PKAZHMFMSA-N 0 0 561.729 6.191 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222671 1072992116 /nfs/dbraw/zinc/99/21/16/1072992116.db2.gz DAZUHITUWDYNAR-UHFFFAOYSA-N 0 0 596.039 6.258 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409222293 1072993770 /nfs/dbraw/zinc/99/37/70/1072993770.db2.gz WOHYJAFCLSCKNS-FMCGGJTJSA-N 0 0 559.496 6.103 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409222248 1072994990 /nfs/dbraw/zinc/99/49/90/1072994990.db2.gz WJCVAETZLRHFNG-UNOMPAQXSA-N 0 0 582.485 5.237 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409221982 1072994998 /nfs/dbraw/zinc/99/49/98/1072994998.db2.gz AKJJGRVNAXFMIW-JJFYIABZSA-N 0 0 563.915 7.379 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409221623 1072998012 /nfs/dbraw/zinc/99/80/12/1072998012.db2.gz TYTKXKIRDAVVSC-OYKKKHCWSA-N 0 0 555.077 6.171 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 ZINC000409221189 1073000452 /nfs/dbraw/zinc/00/04/52/1073000452.db2.gz MIDURNHKAFRIET-MFKUBSTISA-N 0 0 520.630 5.754 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409221100 1073001172 /nfs/dbraw/zinc/00/11/72/1073001172.db2.gz KWAQAJDEPDZZSA-JLPGSUDCSA-N 0 0 571.095 6.339 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409221051 1073001221 /nfs/dbraw/zinc/00/12/21/1073001221.db2.gz KBNBTLGVPGRJGO-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409221031 1073001350 /nfs/dbraw/zinc/00/13/50/1073001350.db2.gz JPWFXTYGGGVEQR-UCQKPKSFSA-N 0 0 558.603 6.446 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2)ccc1Br ZINC000409220763 1073003117 /nfs/dbraw/zinc/00/31/17/1073003117.db2.gz FKRLTPTXKVZYHQ-XHFXOGKZSA-N 0 0 567.530 6.737 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219337 1073008990 /nfs/dbraw/zinc/00/89/90/1073008990.db2.gz PRIFBHUWKXAJIC-UHFFFAOYSA-N 0 0 707.908 6.554 40 10 KKCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409230008 1073018015 /nfs/dbraw/zinc/01/80/15/1073018015.db2.gz ARQRMORCNWNWMR-BUVRLJJBSA-N 0 0 508.416 5.738 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1C ZINC000409228901 1073024431 /nfs/dbraw/zinc/02/44/31/1073024431.db2.gz GVYHWSRGAJBKBX-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409228631 1073026297 /nfs/dbraw/zinc/02/62/97/1073026297.db2.gz BVJQBLBQWCTXFZ-MTJSOVHGSA-N 0 0 549.512 5.783 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409228520 1073027749 /nfs/dbraw/zinc/02/77/49/1073027749.db2.gz BCUFDBVJRLRTRJ-AFUMVMLFSA-N 0 0 504.417 6.706 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409227599 1073031280 /nfs/dbraw/zinc/03/12/80/1073031280.db2.gz QOWWKOWNQYICFM-NVNXTCNLSA-N 0 0 562.294 5.613 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409237151 1073034645 /nfs/dbraw/zinc/03/46/45/1073034645.db2.gz JRZLDLUIKCRGFF-VROXFSQNSA-N 0 0 587.050 5.635 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409237145 1073034809 /nfs/dbraw/zinc/03/48/09/1073034809.db2.gz JPKYZJKCFBBALF-RMORIDSASA-N 0 0 559.496 6.734 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409236700 1073037566 /nfs/dbraw/zinc/03/75/66/1073037566.db2.gz GKOFXCBNZVVKFR-YZSQISJMSA-N 0 0 532.666 5.624 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409235441 1073043747 /nfs/dbraw/zinc/04/37/47/1073043747.db2.gz PZRDSYJHZQWVCA-YSMPRRRNSA-N 0 0 567.132 7.033 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409235443 1073043774 /nfs/dbraw/zinc/04/37/74/1073043774.db2.gz QACVPFOPDICLPU-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)SC2=S)cc1 ZINC000409235383 1073045238 /nfs/dbraw/zinc/04/52/38/1073045238.db2.gz OWJGRIGEFLWOMN-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409234591 1073048918 /nfs/dbraw/zinc/04/89/18/1073048918.db2.gz LTGFZGLXLKIJSY-OGLMXYFKSA-N 0 0 568.605 5.352 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409234628 1073049315 /nfs/dbraw/zinc/04/93/15/1073049315.db2.gz MBFFIKGAKSEUJU-STBIYBPSSA-N 0 0 526.036 6.728 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409233961 1073051905 /nfs/dbraw/zinc/05/19/05/1073051905.db2.gz IUGOJQWMQCQXTM-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000409234217 1073052046 /nfs/dbraw/zinc/05/20/46/1073052046.db2.gz JDZHMIDKDQROAE-PKAZHMFMSA-N 0 0 573.095 7.556 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c1 ZINC000409233692 1073053849 /nfs/dbraw/zinc/05/38/49/1073053849.db2.gz WCMMMRRRNBGBAZ-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cccc1C ZINC000409233689 1073053917 /nfs/dbraw/zinc/05/39/17/1073053917.db2.gz HITNPPSQVWHWFS-ODLFYWEKSA-N 0 0 549.512 5.702 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409233228 1073056026 /nfs/dbraw/zinc/05/60/26/1073056026.db2.gz DSZZPACMSGKZAQ-PFHZTYADSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409233335 1073056791 /nfs/dbraw/zinc/05/67/91/1073056791.db2.gz FPQDVBKAOOQCFS-ITYLOYPMSA-N 0 0 581.159 6.763 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1C ZINC000409233361 1073057073 /nfs/dbraw/zinc/05/70/73/1073057073.db2.gz FVNYMGKWCQYBJB-SSDVNMTOSA-N 0 0 540.985 5.339 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409232785 1073060146 /nfs/dbraw/zinc/06/01/46/1073060146.db2.gz PVVCSQDYZVKLGQ-AFUMVMLFSA-N 0 0 504.417 6.706 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409232269 1073062307 /nfs/dbraw/zinc/06/23/07/1073062307.db2.gz PRSDTHVIBUCAHO-CFRMEGHHSA-N 0 0 573.067 6.310 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409231660 1073064355 /nfs/dbraw/zinc/06/43/55/1073064355.db2.gz DZQNDXQZAKILGH-HMAPJEAMSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409230824 1073068060 /nfs/dbraw/zinc/06/80/60/1073068060.db2.gz GAVSTEHNEXJKBJ-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)SC2=S)cc1 ZINC000409230317 1073069989 /nfs/dbraw/zinc/06/99/89/1073069989.db2.gz BXEBEJBRDJKEMV-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000409246948 1073072465 /nfs/dbraw/zinc/07/24/65/1073072465.db2.gz LOTWBQZTLQYOKZ-HMAPJEAMSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2OC)c1 ZINC000409246841 1073073458 /nfs/dbraw/zinc/07/34/58/1073073458.db2.gz FGDJZUOTTMPEAW-MYYYXRDXSA-N 0 0 549.674 5.193 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409246654 1073076593 /nfs/dbraw/zinc/07/65/93/1073076593.db2.gz KGNZQUDGFBORDO-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)NCc1ccccc1 ZINC000409246319 1073077707 /nfs/dbraw/zinc/07/77/07/1073077707.db2.gz AZPZEIVQROYXFB-USHMODERSA-N 0 0 552.677 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409246091 1073078163 /nfs/dbraw/zinc/07/81/63/1073078163.db2.gz DSGWBBKGZONPRF-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409246120 1073078184 /nfs/dbraw/zinc/07/81/84/1073078184.db2.gz FFRGTRRHMBXVGQ-IWIPYMOSSA-N 0 0 586.110 6.367 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409245701 1073082476 /nfs/dbraw/zinc/08/24/76/1073082476.db2.gz XUJSPDGWBJZXAA-OYKKKHCWSA-N 0 0 555.077 6.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409245481 1073084547 /nfs/dbraw/zinc/08/45/47/1073084547.db2.gz ULWASEAEHRNUAQ-ZGWJWYQGSA-N 0 0 573.523 6.982 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)ccc1Br ZINC000409244322 1073088247 /nfs/dbraw/zinc/08/82/47/1073088247.db2.gz BAMATTIWCFJRLV-XKZIYDEJSA-N 0 0 573.921 6.834 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409244008 1073091007 /nfs/dbraw/zinc/09/10/07/1073091007.db2.gz WGVJQUNWPQHSCB-CEUNXORHSA-N 0 0 582.703 7.219 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409243231 1073093586 /nfs/dbraw/zinc/09/35/86/1073093586.db2.gz QTZGITCCLMKSPV-WGOQTCKBSA-N 0 0 527.024 5.745 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409243023 1073093966 /nfs/dbraw/zinc/09/39/66/1073093966.db2.gz UMVKSKYXGPFTTF-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409243091 1073094303 /nfs/dbraw/zinc/09/43/03/1073094303.db2.gz YNSYVAQCANSPRT-SOFYTKRASA-N 0 0 567.516 5.708 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)SC1=S ZINC000409241974 1073099428 /nfs/dbraw/zinc/09/94/28/1073099428.db2.gz ZPCDVAORFUOBLD-BKUYFWCQSA-N 0 0 565.511 5.021 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409241449 1073101236 /nfs/dbraw/zinc/10/12/36/1073101236.db2.gz XOTQMAMTYUWWJV-OKCVXOCRSA-N 0 0 505.662 6.655 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409241169 1073103071 /nfs/dbraw/zinc/10/30/71/1073103071.db2.gz JEYPWMCIKJNPAR-MSXFZWOLSA-N 0 0 583.087 5.805 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409240973 1073103676 /nfs/dbraw/zinc/10/36/76/1073103676.db2.gz VWVBLGVBNIYQQH-HAHDFKILSA-N 0 0 569.502 6.271 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(I)c1O ZINC000409241105 1073104700 /nfs/dbraw/zinc/10/47/00/1073104700.db2.gz RFNPEZKHKCYKMV-STZFKDTASA-N 0 0 575.449 6.594 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1Cl ZINC000409239667 1073112445 /nfs/dbraw/zinc/11/24/45/1073112445.db2.gz IFAZKGWEJFEJLG-FMCGGJTJSA-N 0 0 587.948 7.143 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409239159 1073115972 /nfs/dbraw/zinc/11/59/72/1073115972.db2.gz CFVAJIMCZXTHIG-SRZZPIQSSA-N 0 0 544.858 6.185 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccccc1Cl ZINC000409239175 1073115976 /nfs/dbraw/zinc/11/59/76/1073115976.db2.gz CHXZTPLQVBHGKC-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409238680 1073118385 /nfs/dbraw/zinc/11/83/85/1073118385.db2.gz FHBPIRIZNJKOGA-UUYOSTAYSA-N 0 0 587.517 6.086 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409238509 1073119346 /nfs/dbraw/zinc/11/93/46/1073119346.db2.gz ANWOGVFBHQUCHF-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409238337 1073120319 /nfs/dbraw/zinc/12/03/19/1073120319.db2.gz WZHDOXOUGSCUQX-OGLMXYFKSA-N 0 0 585.060 5.867 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1Cl ZINC000409237628 1073125515 /nfs/dbraw/zinc/12/55/15/1073125515.db2.gz KGVQPRCXKJEGTK-QRQIAZFYSA-N 0 0 587.122 7.864 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1 ZINC000409250185 1073136505 /nfs/dbraw/zinc/13/65/05/1073136505.db2.gz MNMXJLKLQKAITF-HMAPJEAMSA-N 0 0 558.512 6.483 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409249935 1073139222 /nfs/dbraw/zinc/13/92/22/1073139222.db2.gz JYOVHNMDDPKTHY-WMWHPZEKSA-N 0 0 522.623 5.814 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409249755 1073139731 /nfs/dbraw/zinc/13/97/31/1073139731.db2.gz VMRBCUFVLOOUPB-XKZIYDEJSA-N 0 0 511.363 5.100 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409249466 1073141303 /nfs/dbraw/zinc/14/13/03/1073141303.db2.gz IPIMHORJTIRXRC-QQXSKIMKSA-N 0 0 532.687 5.803 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409249027 1073144279 /nfs/dbraw/zinc/14/42/79/1073144279.db2.gz IEMQKPLZHRDXBU-WWAUWJAYSA-N 0 0 532.687 6.292 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1C ZINC000409249053 1073144804 /nfs/dbraw/zinc/14/48/04/1073144804.db2.gz IGXFBXAAZSENML-UCQKPKSFSA-N 0 0 542.604 6.746 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409248972 1073145911 /nfs/dbraw/zinc/14/59/11/1073145911.db2.gz MGTMQFQNRHPYBZ-PKAZHMFMSA-N 0 0 575.756 6.500 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409248702 1073146187 /nfs/dbraw/zinc/14/61/87/1073146187.db2.gz IBLPBTVOEIPINE-JVWAILMASA-N 0 0 532.427 7.077 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409248440 1073147887 /nfs/dbraw/zinc/14/78/87/1073147887.db2.gz GOFBHESHXVMQHJ-IWIPYMOSSA-N 0 0 522.648 5.660 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409248389 1073149691 /nfs/dbraw/zinc/14/96/91/1073149691.db2.gz GBNDNYNBGCZKJJ-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409248140 1073150177 /nfs/dbraw/zinc/15/01/77/1073150177.db2.gz CEICSHVORRRIFQ-WFSKJOQISA-N 0 0 532.687 6.374 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409248092 1073151293 /nfs/dbraw/zinc/15/12/93/1073151293.db2.gz FYHSDOVFLSDXCM-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409247490 1073154552 /nfs/dbraw/zinc/15/45/52/1073154552.db2.gz HSFJQRWCDSRXLC-MTJSOVHGSA-N 0 0 582.547 7.148 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409247381 1073155323 /nfs/dbraw/zinc/15/53/23/1073155323.db2.gz BWMYLZISGXABIW-ODLFYWEKSA-N 0 0 519.431 6.005 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409257107 1073158263 /nfs/dbraw/zinc/15/82/63/1073158263.db2.gz QKESWWDLYZKZQI-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409256880 1073158622 /nfs/dbraw/zinc/15/86/22/1073158622.db2.gz MPQDSINUDSLYGL-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409256387 1073161786 /nfs/dbraw/zinc/16/17/86/1073161786.db2.gz KTNIXBWUHAGLGJ-ODLFYWEKSA-N 0 0 510.559 5.343 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409256084 1073163417 /nfs/dbraw/zinc/16/34/17/1073163417.db2.gz NVGVHAMBKLLZSP-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409255808 1073165748 /nfs/dbraw/zinc/16/57/48/1073165748.db2.gz ZSKFXORFUWFDQW-UNOMPAQXSA-N 0 0 582.485 5.237 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409255155 1073168185 /nfs/dbraw/zinc/16/81/85/1073168185.db2.gz GKEUBGVERDUOTJ-OYKKKHCWSA-N 0 0 538.094 6.138 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1C ZINC000409255197 1073168723 /nfs/dbraw/zinc/16/87/23/1073168723.db2.gz ZJRXFGUJOHXDGS-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000409254566 1073171392 /nfs/dbraw/zinc/17/13/92/1073171392.db2.gz XRIFJUCFNKYVFA-NHDPSOOVSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409254434 1073173065 /nfs/dbraw/zinc/17/30/65/1073173065.db2.gz XJJSMAAWRGGMKZ-FBHDLOMBSA-N 0 0 555.505 5.647 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409254253 1073173774 /nfs/dbraw/zinc/17/37/74/1073173774.db2.gz YMUBPOFBBDTFBV-XYGWBWBKSA-N 0 0 518.660 5.359 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409253737 1073179209 /nfs/dbraw/zinc/17/92/09/1073179209.db2.gz BWNREURFNYXRLK-UHFFFAOYSA-N 0 0 614.485 7.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409252654 1073185241 /nfs/dbraw/zinc/18/52/41/1073185241.db2.gz UJPHGFOYVKEUEQ-WWAUWJAYSA-N 0 0 532.687 6.292 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409252414 1073187564 /nfs/dbraw/zinc/18/75/64/1073187564.db2.gz RTPBLWLHIOJRPN-IWIPYMOSSA-N 0 0 568.120 6.146 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409262521 1073193922 /nfs/dbraw/zinc/19/39/22/1073193922.db2.gz HPLZOFCGKIBTCN-JAIQZWGSSA-N 0 0 541.478 5.257 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409265263 1073194410 /nfs/dbraw/zinc/19/44/10/1073194410.db2.gz UCDKVHYLUOSZNZ-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409262901 1073195273 /nfs/dbraw/zinc/19/52/73/1073195273.db2.gz GDRIPXLSPWGVAD-XBPUZACXSA-N 0 0 526.680 5.018 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1C ZINC000409267271 1073196087 /nfs/dbraw/zinc/19/60/87/1073196087.db2.gz UIPLRJRXJFEYMM-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409267297 1073196166 /nfs/dbraw/zinc/19/61/66/1073196166.db2.gz UNLRQHXZKYUMDD-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1 ZINC000409267067 1073198019 /nfs/dbraw/zinc/19/80/19/1073198019.db2.gz SBVXVPVWQAONRO-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 ZINC000409266798 1073200187 /nfs/dbraw/zinc/20/01/87/1073200187.db2.gz YLMMWRPBBZOUCP-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266601 1073201067 /nfs/dbraw/zinc/20/10/67/1073201067.db2.gz KFEPPPHPYPZRKG-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409266381 1073201507 /nfs/dbraw/zinc/20/15/07/1073201507.db2.gz WIHPYHGWXVZEAE-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409266113 1073203546 /nfs/dbraw/zinc/20/35/46/1073203546.db2.gz OTDLMEYIDAINFF-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000409265502 1073206445 /nfs/dbraw/zinc/20/64/45/1073206445.db2.gz SXEWJFPQQRTSKJ-ODLFYWEKSA-N 0 0 511.452 5.249 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000409265560 1073206477 /nfs/dbraw/zinc/20/64/77/1073206477.db2.gz VOTFEWHFYWNMIE-MTJSOVHGSA-N 0 0 543.464 5.769 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000027530305 1073206583 /nfs/dbraw/zinc/20/65/83/1073206583.db2.gz RBGISUGSPLTBAA-VXLYETTFSA-N 0 0 500.070 5.536 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409265635 1073206753 /nfs/dbraw/zinc/20/67/53/1073206753.db2.gz UHUUKPHPBRINJA-UWOKGBPVSA-N 0 0 523.463 5.391 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)c1 ZINC000409265192 1073208910 /nfs/dbraw/zinc/20/89/10/1073208910.db2.gz SVKAYFAJDPSGJW-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c1 ZINC000409264858 1073210421 /nfs/dbraw/zinc/21/04/21/1073210421.db2.gz GOAJPGBYUUWORC-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409264509 1073211741 /nfs/dbraw/zinc/21/17/41/1073211741.db2.gz LSROPTLCFYMBQS-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)SC2=S)cc1 ZINC000409264557 1073212053 /nfs/dbraw/zinc/21/20/53/1073212053.db2.gz MFLALNATAMPMKZ-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1ccc(I)c(C)c1 ZINC000409264105 1073214298 /nfs/dbraw/zinc/21/42/98/1073214298.db2.gz KYTBGXMSMUSSAO-UHFFFAOYSA-N 0 0 515.420 6.263 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)SC1=S ZINC000409263958 1073215144 /nfs/dbraw/zinc/21/51/44/1073215144.db2.gz IUYGJVQSDNABPA-UNOMPAQXSA-N 0 0 519.486 5.695 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409263419 1073218462 /nfs/dbraw/zinc/21/84/62/1073218462.db2.gz JCMRFUYOXDTKQJ-MZJWZYIUSA-N 0 0 614.551 7.102 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409262316 1073221854 /nfs/dbraw/zinc/22/18/54/1073221854.db2.gz HRIMVKGQLRVVKR-XKZIYDEJSA-N 0 0 542.604 6.746 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261439 1073226961 /nfs/dbraw/zinc/22/69/61/1073226961.db2.gz BWVBXBHZOPISPH-FIOJILPZSA-N 0 0 546.714 6.682 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)NCc1ccccc1 ZINC000409261461 1073227324 /nfs/dbraw/zinc/22/73/24/1073227324.db2.gz DBYSTFIFAQTWKY-XKZIYDEJSA-N 0 0 528.577 5.806 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S ZINC000409261478 1073227325 /nfs/dbraw/zinc/22/73/25/1073227325.db2.gz DDXIYZQZXYSEFQ-JAIQZWGSSA-N 0 0 525.479 6.021 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S ZINC000409261332 1073227974 /nfs/dbraw/zinc/22/79/74/1073227974.db2.gz ADQLSAKMMNHUOQ-LRSOKBAUSA-N 0 0 543.497 6.973 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409261231 1073229176 /nfs/dbraw/zinc/22/91/76/1073229176.db2.gz BDDDCARGLFFMLV-NDENLUEZSA-N 0 0 529.437 5.461 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409260140 1073235428 /nfs/dbraw/zinc/23/54/28/1073235428.db2.gz LJEDVUPMSJUMRN-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409260036 1073236682 /nfs/dbraw/zinc/23/66/82/1073236682.db2.gz JQTLTPOMSXMOPH-MYYYXRDXSA-N 0 0 534.659 5.826 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)cc1 ZINC000409259814 1073236998 /nfs/dbraw/zinc/23/69/98/1073236998.db2.gz FXKVVIJIYZNDGI-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409259658 1073237888 /nfs/dbraw/zinc/23/78/88/1073237888.db2.gz CCLDCPCMPIFJDH-MYYYXRDXSA-N 0 0 518.660 5.413 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409258513 1073244616 /nfs/dbraw/zinc/24/46/16/1073244616.db2.gz VHLUCFUBJUSAGV-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)cc1 ZINC000409258613 1073245494 /nfs/dbraw/zinc/24/54/94/1073245494.db2.gz UWHWXKRMWYQTDI-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)SC1=S ZINC000409258197 1073246819 /nfs/dbraw/zinc/24/68/19/1073246819.db2.gz UDLJCEACXBDALF-ODLFYWEKSA-N 0 0 521.458 5.005 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1C ZINC000409257895 1073249927 /nfs/dbraw/zinc/24/99/27/1073249927.db2.gz UGBGJPLUMQZUMV-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409257876 1073249944 /nfs/dbraw/zinc/24/99/44/1073249944.db2.gz RFCHTVFVLCRXRY-HMAPJEAMSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OC)c1 ZINC000409257385 1073252151 /nfs/dbraw/zinc/25/21/51/1073252151.db2.gz SJXGBPYEDBSYMZ-QFEZKATASA-N 0 0 534.659 5.744 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409272408 1073255332 /nfs/dbraw/zinc/25/53/32/1073255332.db2.gz YOBZXHUACZEGHO-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c1C ZINC000409272491 1073256144 /nfs/dbraw/zinc/25/61/44/1073256144.db2.gz QPYQACSBXCWLCD-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409271786 1073260062 /nfs/dbraw/zinc/26/00/62/1073260062.db2.gz NCNPYFMFZCCLIA-UCQKPKSFSA-N 0 0 543.497 6.979 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409271632 1073261189 /nfs/dbraw/zinc/26/11/89/1073261189.db2.gz VPBZYOJWBUIROP-WYMPLXKRSA-N 0 0 657.627 5.551 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C ZINC000409271447 1073263467 /nfs/dbraw/zinc/26/34/67/1073263467.db2.gz LBIBALHLZJTDRF-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)SC2=S)cc1 ZINC000409271331 1073263729 /nfs/dbraw/zinc/26/37/29/1073263729.db2.gz UXJRAVVFLLDZKP-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409271204 1073264414 /nfs/dbraw/zinc/26/44/14/1073264414.db2.gz KKYNQPNAGZHTIZ-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1 ZINC000409271316 1073265112 /nfs/dbraw/zinc/26/51/12/1073265112.db2.gz URGSPBJFFUOIMU-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)c1 ZINC000409269877 1073272885 /nfs/dbraw/zinc/27/28/85/1073272885.db2.gz ANKBEWZCMYKUSM-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000409269911 1073273255 /nfs/dbraw/zinc/27/32/55/1073273255.db2.gz AYZNQPRKLBEXCB-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409269938 1073273383 /nfs/dbraw/zinc/27/33/83/1073273383.db2.gz BJHWXNSREVUCQE-NKVSQWTQSA-N 0 0 533.433 6.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409268978 1073281771 /nfs/dbraw/zinc/28/17/71/1073281771.db2.gz CHNAKJJWLZWGOH-ODLFYWEKSA-N 0 0 535.485 5.393 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409268754 1073282115 /nfs/dbraw/zinc/28/21/15/1073282115.db2.gz YQYAWRRHIXGZLN-FVHJOOJJSA-N 0 0 526.680 5.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409268657 1073283261 /nfs/dbraw/zinc/28/32/61/1073283261.db2.gz XDYNGYJEBOCRIN-XKZIYDEJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)SC2=S)cc1 ZINC000409267978 1073286312 /nfs/dbraw/zinc/28/63/12/1073286312.db2.gz YLZIMHPEHIHTKM-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409267463 1073289877 /nfs/dbraw/zinc/28/98/77/1073289877.db2.gz VSVGNIAGUQNENN-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409267511 1073289950 /nfs/dbraw/zinc/28/99/50/1073289950.db2.gz NBTSJISEEZNLBN-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409274768 1073305889 /nfs/dbraw/zinc/30/58/89/1073305889.db2.gz XPNJDAAKVDRUHB-OGLMXYFKSA-N 0 0 543.689 6.404 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(OCc2ccccc2)c1 ZINC000409277112 1073323850 /nfs/dbraw/zinc/32/38/50/1073323850.db2.gz ZEAFJTSZMRJIFY-OGLMXYFKSA-N 0 0 543.689 6.404 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)c(Cl)c4)C3=O)c2C)cc1 ZINC000409273244 1073334078 /nfs/dbraw/zinc/33/40/78/1073334078.db2.gz JJALVEYCAPGZGK-FMCGGJTJSA-N 0 0 526.014 5.440 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501886 193949121 /nfs/dbraw/zinc/94/91/21/193949121.db2.gz IHJLMEBOSKXCKZ-CLJLJLNGSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502095 193949127 /nfs/dbraw/zinc/94/91/27/193949127.db2.gz YCMHHHOQYLGKJF-CLJLJLNGSA-N 0 0 578.492 6.346 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224525542 193962817 /nfs/dbraw/zinc/96/28/17/193962817.db2.gz CSXPJTUGHJXSGG-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225545311 193976596 /nfs/dbraw/zinc/97/65/96/193976596.db2.gz KLXFNWAGPUWQKY-KYJUHHDHSA-N 0 0 574.150 6.412 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3CC)c2C)cc1 ZINC000225548817 193978507 /nfs/dbraw/zinc/97/85/07/193978507.db2.gz AQSASPQHQJNDBD-ACHIHNKUSA-N 0 0 551.760 6.615 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(I)cc2)c2ccccc12 ZINC000409049740 195497351 /nfs/dbraw/zinc/49/73/51/195497351.db2.gz ZWFVIFYWJWOBDO-UDWIEESQSA-N 0 0 650.410 8.238 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000409050779 195500929 /nfs/dbraw/zinc/50/09/29/195500929.db2.gz ZQBHQHSAZXDSJU-LZYBPNLTSA-N 0 0 502.395 5.496 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409051558 195502346 /nfs/dbraw/zinc/50/23/46/195502346.db2.gz BDPKFFMTLWWSRS-OYKKKHCWSA-N 0 0 633.427 7.899 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409051861 195503397 /nfs/dbraw/zinc/50/33/97/195503397.db2.gz GZYKVSDJBSMGNU-QRVIBDJDSA-N 0 0 558.494 6.886 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409231775 195507998 /nfs/dbraw/zinc/50/79/98/195507998.db2.gz MEINNNAFTOGONH-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)SC1=S ZINC000409383359 195518151 /nfs/dbraw/zinc/51/81/51/195518151.db2.gz WLQZVGNLMUUYAC-APSNUPSMSA-N 0 0 676.166 7.003 40 10 KKCBRN Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000920526 551574301 /nfs/dbraw/zinc/57/43/01/551574301.db2.gz JDSFJMLOEZIBOA-UHFFFAOYSA-N 0 0 502.615 5.984 40 10 aggregator KKCBRN COc1ccc(N2CCN(C(=O)CSc3ncnc4sc5c(c43)CC[C@@H](C(C)(C)C)C5)CC2)cc1 ZINC000001223132 551628516 /nfs/dbraw/zinc/62/85/16/551628516.db2.gz LFAQFMWEMQCSOE-GOSISDBHSA-N 0 0 510.729 5.292 40 10 KKCBRN Oc1ccc(Br)cc1-c1nc2cc3ccccc3cc2nc1-c1cc(Br)ccc1O ZINC000001704221 551689941 /nfs/dbraw/zinc/68/99/41/551689941.db2.gz JMEWVNXFHAYSGL-UHFFFAOYSA-N 0 0 522.196 7.053 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S ZINC000001809941 551705456 /nfs/dbraw/zinc/70/54/56/551705456.db2.gz IOKLMWVPKXGVDU-FGHSJCFPSA-N 0 0 512.436 5.344 40 10 KKCBRN O=C(CC(=CC(=C1SC(=S)NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000002159309 551780521 /nfs/dbraw/zinc/78/05/21/551780521.db2.gz HKZXBMSCRIHBMY-GDBHHJMHSA-N 0 0 599.369 7.427 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002185376 551786446 /nfs/dbraw/zinc/78/64/46/551786446.db2.gz ISEJQOWCZSKSIP-IMUCPKNRSA-N 0 0 567.755 5.946 40 10 KKCBRN O=C(Oc1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccc(C(=O)Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 ZINC000003144345 552296638 /nfs/dbraw/zinc/29/66/38/552296638.db2.gz NTBUIYGGZIAUFK-UHFFFAOYSA-N 0 0 582.564 6.256 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000003769077 552415352 /nfs/dbraw/zinc/41/53/52/552415352.db2.gz SWDRIOGVEUMIHS-XSFVSMFZSA-N 0 0 522.486 6.441 40 10 KKCBRN O=C1c2ccccc2C(=O)N1c1ccc2c(c1-c1c(N3C(=O)c4ccccc4C3=O)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000003954303 552423628 /nfs/dbraw/zinc/42/36/28/552423628.db2.gz JHXNRNVAKGDKPF-UHFFFAOYSA-N 0 0 704.650 6.506 40 10 in-vitro KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000004179569 552446339 /nfs/dbraw/zinc/44/63/39/552446339.db2.gz PNMCHUFEKRJOPX-DYXWJJEUSA-N 0 0 526.759 5.342 40 10 KKCBRN c1ccc2c(c1)ccc1c3nc4c5ccc6ccccc6c5c5c6ccccc6ccc5c4nc3c3ccc4ccccc4c3c21 ZINC000004268295 552455053 /nfs/dbraw/zinc/45/50/53/552455053.db2.gz VYWZPGNEOHASBQ-UHFFFAOYSA-N 0 0 580.690 12.009 40 10 KKCBRN O=C(C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004683198 552471715 /nfs/dbraw/zinc/47/17/15/552471715.db2.gz WEITWPPLQWVKGO-UHFFFAOYSA-N 0 0 634.728 9.068 40 10 KKCBRN Cc1ccc2ccccc2c1Nc1ccc(Nc2c(C)ccc3ccccc32)c2c1C(=O)c1ccccc1C2=O ZINC000004830759 552488398 /nfs/dbraw/zinc/48/83/98/552488398.db2.gz GZORPDTZYZUBPQ-UHFFFAOYSA-N 0 0 518.616 8.872 40 10 KKCBRN CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000005545787 552504810 /nfs/dbraw/zinc/50/48/10/552504810.db2.gz OQDKQQIJHWYULB-ONUIUJJFSA-N 0 0 526.552 5.225 40 10 KKCBRN CCCCC1([C@@H](NC(=O)c2ccccc2Cl)c2ccncc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000005616015 552505425 /nfs/dbraw/zinc/50/54/25/552505425.db2.gz GDHHNUFJLVMECU-NDEPHWFRSA-N 0 0 553.062 6.378 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(Br)cc2)C[C@H](c2cccc3ccccc32)N1 ZINC000005722854 552507311 /nfs/dbraw/zinc/50/73/11/552507311.db2.gz ZHDOJHOAODTAQY-GDLZYMKVSA-N 0 0 557.447 8.055 40 10 KKCBRN COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000005723340 552507703 /nfs/dbraw/zinc/50/77/03/552507703.db2.gz JKPJITBEAVMWLZ-XAHDOWKMSA-N 0 0 529.600 7.619 40 10 KKCBRN O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c43)c21 ZINC000005844303 552510926 /nfs/dbraw/zinc/51/09/26/552510926.db2.gz SWTNGUJPNWBOQC-UHFFFAOYSA-N 0 0 518.533 6.820 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1ccccc1I ZINC000006475314 552593252 /nfs/dbraw/zinc/59/32/52/552593252.db2.gz ABYFOMSRFJISPF-JWZKTCGFSA-N 0 0 542.420 7.523 40 10 KKCBRN CCN(CC)/N=N/c1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccccc2)C(=O)/C=C\c2ccccc2)cc1 ZINC000006511075 552597065 /nfs/dbraw/zinc/59/70/65/552597065.db2.gz CNJSQPNGGVYCNT-ZQRKKLQRSA-N 0 0 516.623 5.498 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006545053 552598029 /nfs/dbraw/zinc/59/80/29/552598029.db2.gz LWNRQWGVDBMIKG-UHAPOFRNSA-N 0 0 617.727 5.602 40 10 KKCBRN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 ZINC000006821630 552973242 /nfs/dbraw/zinc/97/32/42/552973242.db2.gz FFZVMLNYHAOYIA-LDADJPATSA-N 0 0 517.796 7.278 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1Cc1ccccc1 ZINC000008722066 553129641 /nfs/dbraw/zinc/12/96/41/553129641.db2.gz ALEMTXZRGKJNSG-ZMOGYAJESA-N 0 0 509.483 7.398 40 10 KKCBRN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000008741363 553132788 /nfs/dbraw/zinc/13/27/88/553132788.db2.gz ROFWOMKXJBZKPM-DFIYOIEZSA-N 0 0 504.380 6.281 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)c1 ZINC000008819232 553154054 /nfs/dbraw/zinc/15/40/54/553154054.db2.gz IROHKUIBUZNFOH-PLRJNAJWSA-N 0 0 502.661 5.910 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008819673 553154512 /nfs/dbraw/zinc/15/45/12/553154512.db2.gz VQWIARRDMOYDFT-UYRXBGFRSA-N 0 0 513.006 6.759 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000008819681 553154525 /nfs/dbraw/zinc/15/45/25/553154525.db2.gz SJYCDPQXLVTFDS-ODLFYWEKSA-N 0 0 513.899 7.047 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1OC ZINC000008819951 553154945 /nfs/dbraw/zinc/15/49/45/553154945.db2.gz DNRJEJPYBVSOAS-MOHJPFBDSA-N 0 0 510.681 5.445 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000008819963 553154974 /nfs/dbraw/zinc/15/49/74/553154974.db2.gz JNQYTSPSIPUGNX-OYKKKHCWSA-N 0 0 528.740 5.550 40 10 KKCBRN CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000008820117 553155153 /nfs/dbraw/zinc/15/51/53/553155153.db2.gz MBEDOAONOMEMPY-NKFKGCMQSA-N 0 0 510.681 5.284 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000008820317 553155397 /nfs/dbraw/zinc/15/53/97/553155397.db2.gz ZZFMWDUVNPWZFB-LDADJPATSA-N 0 0 504.058 5.600 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000008820500 553155426 /nfs/dbraw/zinc/15/54/26/553155426.db2.gz CWSVBJJVIAUARY-ODPYEHHCSA-N 0 0 508.665 5.820 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000008820567 553155561 /nfs/dbraw/zinc/15/55/61/553155561.db2.gz VBLZKNYIXXFQJW-SQYPFMSLSA-N 0 0 522.692 6.210 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1OC ZINC000008821541 553155786 /nfs/dbraw/zinc/15/57/86/553155786.db2.gz JFMOZLLGGKCZKY-OEAKJJBVSA-N 0 0 510.593 5.624 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000008821698 553155826 /nfs/dbraw/zinc/15/58/26/553155826.db2.gz XXWWHGFPXYTYNJ-UQQQWYQISA-N 0 0 508.018 5.851 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008821742 553155850 /nfs/dbraw/zinc/15/58/50/553155850.db2.gz LUGXVASCGWCSNU-UQQQWYQISA-N 0 0 508.018 5.851 40 10 KKCBRN CCOc1cc(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821792 553156091 /nfs/dbraw/zinc/15/60/91/553156091.db2.gz SZANHYYJOPEBBI-QFEZKATASA-N 0 0 525.026 6.417 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000008984552 553196387 /nfs/dbraw/zinc/19/63/87/553196387.db2.gz WPNQLRXTJUJQFG-HDSWDUSCSA-N 0 0 512.591 5.533 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000008995229 553197028 /nfs/dbraw/zinc/19/70/28/553197028.db2.gz XVZXTQADKLGPSK-UODIDJSMSA-N 0 0 506.558 5.643 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000009009681 553199510 /nfs/dbraw/zinc/19/95/10/553199510.db2.gz FHZRPCIBIQKTFI-KWXIBIRDSA-N 0 0 513.977 5.380 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009016070 553200551 /nfs/dbraw/zinc/20/05/51/553200551.db2.gz ZEPRCVPDBMDHNH-KWXIBIRDSA-N 0 0 513.977 5.380 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000009187965 553218035 /nfs/dbraw/zinc/21/80/35/553218035.db2.gz UQDGIYPZHHNPDR-ITYLOYPMSA-N 0 0 503.599 5.206 40 10 KKCBRN CCOc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)Nc1ccc(CC)cc1 ZINC000009232224 553223506 /nfs/dbraw/zinc/22/35/06/553223506.db2.gz FDNYSBJNYYYYEM-VRMLFSPKSA-N 0 0 512.653 5.639 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(F)cc1 ZINC000009310513 553238934 /nfs/dbraw/zinc/23/89/34/553238934.db2.gz ZQNGJGANJDTKFR-MFKUBSTISA-N 0 0 506.023 7.617 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009318802 553241079 /nfs/dbraw/zinc/24/10/79/553241079.db2.gz GFJWZUZOIFCODA-GMQQYTKMSA-N 0 0 522.601 5.241 40 10 KKCBRN Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000009553414 553278498 /nfs/dbraw/zinc/27/84/98/553278498.db2.gz MWAGTPLLPCVHJE-JLPGSUDCSA-N 0 0 506.605 5.762 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C2=N)S1 ZINC000009730612 553302112 /nfs/dbraw/zinc/30/21/12/553302112.db2.gz LLQRCPANZQBEMQ-BTKQHFLTSA-N 0 0 506.628 5.579 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000010113550 553329280 /nfs/dbraw/zinc/32/92/80/553329280.db2.gz YUWRXYSHJLMMLX-UHFFFAOYSA-N 0 0 512.075 5.069 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000010113538 553329315 /nfs/dbraw/zinc/32/93/15/553329315.db2.gz MWBPFRFDGPWDJL-UHFFFAOYSA-N 0 0 505.684 5.230 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nc2ccccc2s1 ZINC000012278473 553356152 /nfs/dbraw/zinc/35/61/52/553356152.db2.gz YEACUDFPDRHDDF-RGEXLXHISA-N 0 0 502.086 6.350 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000012377614 553361869 /nfs/dbraw/zinc/36/18/69/553361869.db2.gz JKVGQDMGQMFKNH-XSFVSMFZSA-N 0 0 514.097 6.007 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475180 553370613 /nfs/dbraw/zinc/37/06/13/553370613.db2.gz MMFPPAAUZPUTJH-WJOKGBTCSA-N 0 0 523.681 5.390 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475187 553370636 /nfs/dbraw/zinc/37/06/36/553370636.db2.gz MMFPPAAUZPUTJH-HKBQPEDESA-N 0 0 523.681 5.390 40 10 KKCBRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012659882 553411455 /nfs/dbraw/zinc/41/14/55/553411455.db2.gz UOVSPNVQBSEWKN-XAHDOWKMSA-N 0 0 520.976 7.766 40 10 KKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1C ZINC000013025163 553435496 /nfs/dbraw/zinc/43/54/96/553435496.db2.gz LYWAJUJSJLNBCQ-MUUNZHRXSA-N 0 0 501.627 5.180 40 10 KKCBRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025150 553435498 /nfs/dbraw/zinc/43/54/98/553435498.db2.gz CQPMQXMAYWKORI-GDLZYMKVSA-N 0 0 515.654 5.687 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000013575514 553474841 /nfs/dbraw/zinc/47/48/41/553474841.db2.gz KMURQXQDSBUGLD-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000013640623 553479343 /nfs/dbraw/zinc/47/93/43/553479343.db2.gz XKHUQBHEJQWHAM-IWHLBADBSA-N 0 0 520.651 5.957 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(C)ccc2C)cc1 ZINC000013646639 553480009 /nfs/dbraw/zinc/48/00/09/553480009.db2.gz JQRSCVFGFDUXMZ-UHFFFAOYSA-N 0 0 505.684 5.114 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000014131964 553501434 /nfs/dbraw/zinc/50/14/34/553501434.db2.gz LRJRGBVMRSCOJJ-MXAYSNPKSA-N 0 0 507.442 7.791 40 10 KKCBRN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)nc3ccccc3c2=O)c1 ZINC000014361532 553514663 /nfs/dbraw/zinc/51/46/63/553514663.db2.gz OXOQRGIWIZEEFG-JEIPZWNWSA-N 0 0 519.630 7.149 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000015930884 553542435 /nfs/dbraw/zinc/54/24/35/553542435.db2.gz MMLDAMOHSHVAGN-JCMHNJIXSA-N 0 0 503.986 5.871 40 10 KKCBRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000015980441 553548496 /nfs/dbraw/zinc/54/84/96/553548496.db2.gz NNNIYXHWPKUHAS-QNEJGDQOSA-N 0 0 504.502 5.698 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)SC2=S)cc1 ZINC000016216666 553556803 /nfs/dbraw/zinc/55/68/03/553556803.db2.gz PBDQWCRMTBSNLD-QRVIBDJDSA-N 0 0 516.471 6.982 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1 ZINC000016291132 553558840 /nfs/dbraw/zinc/55/88/40/553558840.db2.gz NVTYLGHTZSTCBG-RDRPBHBLSA-N 0 0 526.727 7.554 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCCCC3)=NC2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291754 553559034 /nfs/dbraw/zinc/55/90/34/553559034.db2.gz CZXCVZHUMMOGFP-RTKVKBNMSA-N 0 0 520.698 7.486 40 10 KKCBRN O=S(=O)(CCCCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1 ZINC000016428665 553563204 /nfs/dbraw/zinc/56/32/04/553563204.db2.gz OUOVCYHBAJRVDS-UHFFFAOYSA-N 0 0 512.694 5.182 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000018249795 553611326 /nfs/dbraw/zinc/61/13/26/553611326.db2.gz JVJGTRBIYMNBEO-DSITVLBTSA-N 0 0 507.929 5.188 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000018275970 553611926 /nfs/dbraw/zinc/61/19/26/553611926.db2.gz JVIKEENCFNEITG-DSNGMDLFSA-N 0 0 507.929 5.188 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccc(OC)cc4)N=C3c3ccccc3)cc2)cc1 ZINC000020287798 553633005 /nfs/dbraw/zinc/63/30/05/553633005.db2.gz VDJGXWITZTYQTI-ANYBSYGZSA-N 0 0 504.590 6.584 40 10 KKCBRN COc1ccc2[nH]cc(CCNC(C)=C3C(=O)N(c4nc5ccccc5s4)N=C3c3ccccc3)c2c1 ZINC000020288128 553633038 /nfs/dbraw/zinc/63/30/38/553633038.db2.gz DXVFOFPYKPURNV-ITYLOYPMSA-N 0 0 507.619 5.643 40 10 KKCBRN CC(NCCc1c[nH]c2ccc(Cl)cc12)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000020288142 553633081 /nfs/dbraw/zinc/63/30/81/553633081.db2.gz LERHTLBSFSVXHR-UQQQWYQISA-N 0 0 512.038 6.288 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCSc2ccc(Cl)cc2)cc1 ZINC000020288608 553633355 /nfs/dbraw/zinc/63/33/55/553633355.db2.gz JBNLSGSNNIVYHH-BWAHOGKJSA-N 0 0 508.043 5.764 40 10 KKCBRN CC[C@H](C)N1N=CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)[C@H]1O ZINC000072115284 553640575 /nfs/dbraw/zinc/64/05/75/553640575.db2.gz KHDVLIXZARJRJG-HUQKPPMYSA-N 0 0 707.663 5.399 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C1=O ZINC000095346115 553701159 /nfs/dbraw/zinc/70/11/59/553701159.db2.gz SWMUVSSUYHLGER-BDTNDASRSA-N 0 0 513.775 5.168 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(-c4ncc(-c5ccccc5)o4)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096022672 553722044 /nfs/dbraw/zinc/72/20/44/553722044.db2.gz RJFKAUIHMBBQAL-CFYKKUQESA-N 0 0 621.785 8.577 40 10 KKCBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859545 553762197 /nfs/dbraw/zinc/76/21/97/553762197.db2.gz OJZZRJOIPSIXRU-AQOUDTPCSA-N 0 0 598.652 5.069 40 10 KKCBRN Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859572 553762266 /nfs/dbraw/zinc/76/22/66/553762266.db2.gz ZUMGLGKJKXIOPJ-MEKGRNQZSA-N 0 0 607.490 6.359 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000026580616 553819759 /nfs/dbraw/zinc/81/97/59/553819759.db2.gz OXSFWAZMAHQQGQ-PERRAXLGSA-N 0 0 513.019 5.452 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000026593346 553819825 /nfs/dbraw/zinc/81/98/25/553819825.db2.gz VFSLZKDQZCFAHC-FMCGGJTJSA-N 0 0 516.471 6.982 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000026642782 553819957 /nfs/dbraw/zinc/81/99/57/553819957.db2.gz PVWQGYGSMGOMFE-BSMJIXEWSA-N 0 0 506.628 5.443 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000026675892 553819988 /nfs/dbraw/zinc/81/99/88/553819988.db2.gz AMENTIFUCXKHLA-CJWBXBRBSA-N 0 0 500.555 5.389 40 10 KKCBRN CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000026787043 553821185 /nfs/dbraw/zinc/82/11/85/553821185.db2.gz HPDXCFAICMPYCL-UHFFFAOYSA-N 0 0 500.425 5.456 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(CSc2ccccc2)=NN1c1ccccc1 ZINC000026842226 553821647 /nfs/dbraw/zinc/82/16/47/553821647.db2.gz IMLZNMDGKHKFNP-ULJHMMPZSA-N 0 0 504.533 7.544 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000029491916 553845241 /nfs/dbraw/zinc/84/52/41/553845241.db2.gz FGJJJQUHWBGPHC-RGVLZGJSSA-N 0 0 503.001 6.944 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F ZINC000029503402 553846728 /nfs/dbraw/zinc/84/67/28/553846728.db2.gz QJISOSXIINSQPC-UDWIEESQSA-N 0 0 503.001 6.944 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000097957777 553848190 /nfs/dbraw/zinc/84/81/90/553848190.db2.gz WMANCFZCRYVEOO-YTXHFQNJSA-N 0 0 537.022 5.084 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097958024 553850545 /nfs/dbraw/zinc/85/05/45/553850545.db2.gz LTYZLSPCAQNXHO-JLPGSUDCSA-N 0 0 525.673 5.563 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097958867 553858429 /nfs/dbraw/zinc/85/84/29/553858429.db2.gz WWKPACYKERWCHY-MBXMAFHSSA-N 0 0 543.443 5.253 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cccc(OCCOc4ccc(C5CCCCC5)cc4)c3)C2=N)S1 ZINC000032109374 553862858 /nfs/dbraw/zinc/86/28/58/553862858.db2.gz UTWASBANGYHZIY-VIFXODNGSA-N 0 0 502.640 6.221 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000097961901 553881336 /nfs/dbraw/zinc/88/13/36/553881336.db2.gz MQTRDKHSBPIHTB-PWDQIPGLSA-N 0 0 526.618 5.323 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2\C(=O)N=C3SN=C(SCc4ccccc4)N3C2=N)cc1 ZINC000097964358 553897504 /nfs/dbraw/zinc/89/75/04/553897504.db2.gz GCNRQHADCGDTHK-OEEVHLICSA-N 0 0 584.767 7.558 40 10 KKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=N)S1 ZINC000097964676 553899719 /nfs/dbraw/zinc/89/97/19/553899719.db2.gz ZLJCHXHDSLFYQP-DPJGJENPSA-N 0 0 632.480 5.807 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000097964806 553900983 /nfs/dbraw/zinc/90/09/83/553900983.db2.gz CVXIYNXIUORFTQ-JTTMBOACSA-N 0 0 541.633 5.222 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964803 553901019 /nfs/dbraw/zinc/90/10/19/553901019.db2.gz FHBAEALQCACLBO-MHDUHGSVSA-N 0 0 531.428 6.059 40 10 KKCBRN COc1cccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964888 553901251 /nfs/dbraw/zinc/90/12/51/553901251.db2.gz HHDOSKMREHOTMQ-FBYMBKKWSA-N 0 0 549.656 6.013 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)c1 ZINC000097964894 553901570 /nfs/dbraw/zinc/90/15/70/553901570.db2.gz DIUYGKNOCSVSGG-MBECSENPSA-N 0 0 582.129 7.473 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccccc1OC ZINC000097964994 553902176 /nfs/dbraw/zinc/90/21/76/553902176.db2.gz NOEYEZPYRUYECC-DIBXZPPDSA-N 0 0 535.687 6.343 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000097972196 553966406 /nfs/dbraw/zinc/96/64/06/553966406.db2.gz IUJFPKGBQVGKRW-LEWJYISDSA-N 0 0 603.692 8.812 40 10 KKCBRN Cc1cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000097979476 553979750 /nfs/dbraw/zinc/97/97/50/553979750.db2.gz CPWJTLQSFWHKSN-XAHDOWKMSA-N 0 0 548.565 7.634 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000034389377 553981568 /nfs/dbraw/zinc/98/15/68/553981568.db2.gz XPELMSXMIBMPRA-VHAJMIGMSA-N 0 0 516.545 5.758 40 10 KKCBRN CCCCn1c(=O)/c(=C/C=C2/SC(c3ccccc3)=C(c3ccccc3)N2CC)s/c1=C1\SC(=S)N(CCCCCC(=O)OCC)C1=O ZINC000097983142 554007708 /nfs/dbraw/zinc/00/77/08/554007708.db2.gz WBWUGRFQWYXJDS-RVAZHXAMSA-N 0 0 720.020 7.019 40 10 KKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)S2)cc1 ZINC000035645694 554061618 /nfs/dbraw/zinc/06/16/18/554061618.db2.gz BOIGQNLJECHVTF-PCLIKHOPSA-N 0 0 509.027 6.799 40 10 KKCBRN Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000036080015 554174453 /nfs/dbraw/zinc/17/44/53/554174453.db2.gz UWWLAGMURWEMSR-XEOMXOBASA-N 0 0 518.708 5.448 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100070716 554201403 /nfs/dbraw/zinc/20/14/03/554201403.db2.gz LKSXTQHAYXSFKK-ZDLGFXPLSA-N 0 0 510.902 6.933 40 10 KKCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000100081847 554207220 /nfs/dbraw/zinc/20/72/20/554207220.db2.gz OVPWWVWFBPCZPM-UHFFFAOYSA-N 0 0 553.750 5.309 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000100114760 554222955 /nfs/dbraw/zinc/22/29/55/554222955.db2.gz AIMLMZAUTHZLCE-FSGOGVSDSA-N 0 0 533.697 7.076 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000036613186 554226325 /nfs/dbraw/zinc/22/63/25/554226325.db2.gz BHGNBXUODSGUEL-GRSHGNNSSA-N 0 0 508.543 5.095 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100185678 554242770 /nfs/dbraw/zinc/24/27/70/554242770.db2.gz QERQDQSZZACRCB-MRWVFDTMSA-N 0 0 611.167 5.521 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000100191084 554244844 /nfs/dbraw/zinc/24/48/44/554244844.db2.gz ZBZPXZQKFDJYRU-LZYBPNLTSA-N 0 0 552.201 7.073 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000100198486 554246331 /nfs/dbraw/zinc/24/63/31/554246331.db2.gz FEYIUTGAWZVTDO-CXUHLZMHSA-N 0 0 531.266 6.151 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1O ZINC000100229921 554255214 /nfs/dbraw/zinc/25/52/14/554255214.db2.gz HXGXIANQPCMPFG-HZHRSRAPSA-N 0 0 571.427 6.598 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000100229986 554255605 /nfs/dbraw/zinc/25/56/05/554255605.db2.gz KDCCCNQGGCSSSZ-FYJGNVAPSA-N 0 0 525.830 6.886 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100231371 554256944 /nfs/dbraw/zinc/25/69/44/554256944.db2.gz HFFDOCXCDCOTIB-YZSQISJMSA-N 0 0 576.537 7.986 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000100241523 554260501 /nfs/dbraw/zinc/26/05/01/554260501.db2.gz XULMLQCNEWDVKC-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000100267132 554267507 /nfs/dbraw/zinc/26/75/07/554267507.db2.gz RMYKYDPDDJLFPR-UNJPEWJUSA-N 0 0 571.497 5.952 40 10 KKCBRN N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000100268284 554268187 /nfs/dbraw/zinc/26/81/87/554268187.db2.gz ZHUFWJOAKNSJCM-YMINWEEVSA-N 0 0 528.388 5.817 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000100273028 554270680 /nfs/dbraw/zinc/27/06/80/554270680.db2.gz VDBRMCAVKFNVGU-UFQQSFAQSA-N 0 0 541.073 6.089 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100273056 554270688 /nfs/dbraw/zinc/27/06/88/554270688.db2.gz JXKDSAGTIMSUQA-LNDJTLDTSA-N 0 0 532.544 5.341 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000100286197 554280192 /nfs/dbraw/zinc/28/01/92/554280192.db2.gz ZIVIMSHYROSRCF-VVZHRXSXSA-N 0 0 533.378 6.224 40 10 KKCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=N)S1 ZINC000041083142 554293959 /nfs/dbraw/zinc/29/39/59/554293959.db2.gz OHNKHHXHLILVMP-DZMCVATHSA-N 0 0 515.639 5.928 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100316561 554302973 /nfs/dbraw/zinc/30/29/73/554302973.db2.gz QLJOIISILDCCQM-PCLIKHOPSA-N 0 0 605.535 6.736 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000100319682 554304197 /nfs/dbraw/zinc/30/41/97/554304197.db2.gz UPWYUPOLXQVBIZ-HZHRSRAPSA-N 0 0 618.427 6.353 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000100319953 554304477 /nfs/dbraw/zinc/30/44/77/554304477.db2.gz BENZDRHOCPTEFR-CIAFOILYSA-N 0 0 542.348 5.824 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100319851 554304517 /nfs/dbraw/zinc/30/45/17/554304517.db2.gz GCPYVTXUVUKZMB-KEBDBYFISA-N 0 0 546.248 7.150 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100323403 554307203 /nfs/dbraw/zinc/30/72/03/554307203.db2.gz KGZNJQZHWXAGLY-XYGWBWBKSA-N 0 0 562.510 7.596 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100323485 554307279 /nfs/dbraw/zinc/30/72/79/554307279.db2.gz PLQFBAFISHWABQ-FYJGNVAPSA-N 0 0 593.895 6.938 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000100324131 554308283 /nfs/dbraw/zinc/30/82/83/554308283.db2.gz PIYDUKIFKNXSPQ-NVNXTCNLSA-N 0 0 517.797 5.021 40 10 KKCBRN COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)cc2)c1 ZINC000100331055 554313464 /nfs/dbraw/zinc/31/34/64/554313464.db2.gz NTRFQTIZDCFPRQ-BRPDVVIDSA-N 0 0 546.627 5.857 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)O2)cc1 ZINC000100340921 554325410 /nfs/dbraw/zinc/32/54/10/554325410.db2.gz YORLFRFICIOFRM-YBFXNURJSA-N 0 0 574.798 6.522 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000100345768 554330261 /nfs/dbraw/zinc/33/02/61/554330261.db2.gz SPYMWCANQNZKIN-CIAFOILYSA-N 0 0 609.336 7.344 40 10 KKCBRN O=C1C=CC(=NNc2ccc(Br)cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(Br)cc2)=C1 ZINC000100367814 554354206 /nfs/dbraw/zinc/35/42/06/554354206.db2.gz JUUDOIBHBBFUAA-VLVOWVCYSA-N 0 0 580.240 9.869 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Br)c4)ccc3o2)cc1 ZINC000100381223 554363564 /nfs/dbraw/zinc/36/35/64/554363564.db2.gz TYUTUZKLVKQOLM-UHFFFAOYSA-N 0 0 523.456 6.230 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000058822218 554365266 /nfs/dbraw/zinc/36/52/66/554365266.db2.gz QRGDFZGVUBHBGM-KEBDBYFISA-N 0 0 501.797 7.041 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000058833907 554365902 /nfs/dbraw/zinc/36/59/02/554365902.db2.gz NCHIWOUUNOTQKP-ACJNQYEBSA-N 0 0 526.105 5.818 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846283 554366008 /nfs/dbraw/zinc/36/60/08/554366008.db2.gz ALVNAVGHWDDRGL-FYQCMVGJSA-N 0 0 505.596 5.848 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058846829 554366479 /nfs/dbraw/zinc/36/64/79/554366479.db2.gz KKBXUZJDJLLDML-JWZKTCGFSA-N 0 0 504.652 6.455 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1C ZINC000058846532 554366509 /nfs/dbraw/zinc/36/65/09/554366509.db2.gz BUWJCYFLGHKXOK-PPJWLVRDSA-N 0 0 509.469 6.693 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847529 554366659 /nfs/dbraw/zinc/36/66/59/554366659.db2.gz OTRRSLFUKOGDMA-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847595 554366821 /nfs/dbraw/zinc/36/68/21/554366821.db2.gz CJTHVZFFYYDTKS-GLDPYIMESA-N 0 0 504.961 6.986 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848061 554367427 /nfs/dbraw/zinc/36/74/27/554367427.db2.gz MUUCCZAUNCFQQO-VVZHRXSXSA-N 0 0 509.027 6.062 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058847982 554367502 /nfs/dbraw/zinc/36/75/02/554367502.db2.gz YXSZHFVFVGLQNN-SXDGJLEOSA-N 0 0 507.099 7.573 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848243 554367679 /nfs/dbraw/zinc/36/76/79/554367679.db2.gz MVNZFVVMBANRDJ-VVZHRXSXSA-N 0 0 509.027 6.062 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1 ZINC000058848631 554367985 /nfs/dbraw/zinc/36/79/85/554367985.db2.gz ALKMEULJZSRKBM-SXDGJLEOSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058848507 554368074 /nfs/dbraw/zinc/36/80/74/554368074.db2.gz PNGFGLABGIFYGT-DFIYOIEZSA-N 0 0 500.542 6.341 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058848743 554368299 /nfs/dbraw/zinc/36/82/99/554368299.db2.gz NYKHRMJTSXAOMY-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058848732 554368374 /nfs/dbraw/zinc/36/83/74/554368374.db2.gz PZLAGSDJCRBFMX-DFIYOIEZSA-N 0 0 511.987 5.884 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058849014 554368438 /nfs/dbraw/zinc/36/84/38/554368438.db2.gz JHNSHHHUIGSWNI-DKGMKSHISA-N 0 0 520.651 6.120 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000058849142 554368710 /nfs/dbraw/zinc/36/87/10/554368710.db2.gz JHBIFVPCMIHUOE-OREGWCPLSA-N 0 0 504.608 5.499 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849305 554368775 /nfs/dbraw/zinc/36/87/75/554368775.db2.gz XSORSJQQHCGZAG-OREGWCPLSA-N 0 0 520.607 5.118 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850298 554369689 /nfs/dbraw/zinc/36/96/89/554369689.db2.gz QMCGUZIETMWCNB-ATLLOTDBSA-N 0 0 511.441 6.085 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c(C)c1 ZINC000058850197 554369704 /nfs/dbraw/zinc/36/97/04/554369704.db2.gz RUQRSYGKXGSYMO-UNVFRBQDSA-N 0 0 509.469 6.693 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000058850225 554369778 /nfs/dbraw/zinc/36/97/78/554369778.db2.gz RWWIBKVREZGPDP-XXAUWVGASA-N 0 0 523.496 7.200 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850209 554369880 /nfs/dbraw/zinc/36/98/80/554369880.db2.gz QFWDVHRFFDSASC-UNVFRBQDSA-N 0 0 509.469 6.693 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000058866089 554370747 /nfs/dbraw/zinc/37/07/47/554370747.db2.gz SQBHWVBGEMCAMS-UHFFFAOYSA-N 0 0 520.541 6.473 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000058993194 554371601 /nfs/dbraw/zinc/37/16/01/554371601.db2.gz AEHKODPRKHHZJR-KUMDLULQSA-N 0 0 536.617 5.181 40 10 KKCBRN Cc1cccc(C)c1OCCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000058993164 554371620 /nfs/dbraw/zinc/37/16/20/554371620.db2.gz DBKLPUFNRKSYAR-NFIDDJMPSA-N 0 0 534.645 5.790 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000100415520 554381799 /nfs/dbraw/zinc/38/17/99/554381799.db2.gz JZOIVSPAXVUOLB-FSSWDIPSSA-N 0 0 550.792 5.106 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000059138989 554382915 /nfs/dbraw/zinc/38/29/15/554382915.db2.gz ITHSZKHXFMJCKO-TURZUDJPSA-N 0 0 503.602 6.603 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000059139746 554383456 /nfs/dbraw/zinc/38/34/56/554383456.db2.gz GSKJRDYEYRHLPL-UHFFFAOYSA-N 0 0 513.830 5.223 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(N3CCCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059247762 554386551 /nfs/dbraw/zinc/38/65/51/554386551.db2.gz XNPPUAWWRDFTLT-UHFFFAOYSA-N 0 0 506.356 5.226 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1C1CCCCC1 ZINC000059418186 554393838 /nfs/dbraw/zinc/39/38/38/554393838.db2.gz JSDGNRHPOQKTQT-FYJGNVAPSA-N 0 0 506.462 6.701 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484768 554397906 /nfs/dbraw/zinc/39/79/06/554397906.db2.gz XZZZNUBVAQEDKW-CJLVFECKSA-N 0 0 501.369 7.038 40 10 KKCBRN CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000059488073 554398055 /nfs/dbraw/zinc/39/80/55/554398055.db2.gz ARMXSSLINRIXBB-UHFFFAOYSA-N 0 0 500.580 5.189 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000059609042 554411885 /nfs/dbraw/zinc/41/18/85/554411885.db2.gz RQTCZBLKZHEQRV-MXAYSNPKSA-N 0 0 544.525 7.681 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059609119 554412166 /nfs/dbraw/zinc/41/21/66/554412166.db2.gz VWKLTGMRHOBHKU-MIXAMLLLSA-N 0 0 541.694 7.228 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)SC2=S)cc1 ZINC000059609124 554412179 /nfs/dbraw/zinc/41/21/79/554412179.db2.gz ANCOZIFZYGSBMR-FMCGGJTJSA-N 0 0 550.916 7.636 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(OCc2ccc(F)cc2)c1 ZINC000059639045 554416578 /nfs/dbraw/zinc/41/65/78/554416578.db2.gz CQKFRVRREAMPHN-DICXZTSXSA-N 0 0 501.627 5.638 40 10 KKCBRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 ZINC000059691166 554425114 /nfs/dbraw/zinc/42/51/14/554425114.db2.gz AIRAZBZOQSXQCZ-XBELVFRGSA-N 0 0 524.045 7.323 40 10 KKCBRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 ZINC000059690960 554425170 /nfs/dbraw/zinc/42/51/70/554425170.db2.gz FKHVGBQKJNNPDV-YBKKDVTGSA-N 0 0 535.625 6.384 40 10 KKCBRN Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000100764545 554469403 /nfs/dbraw/zinc/46/94/03/554469403.db2.gz CYBIQMKSMXONQP-FSSWDIPSSA-N 0 0 539.893 5.362 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000059959333 554484452 /nfs/dbraw/zinc/48/44/52/554484452.db2.gz VNJYQZUYTMJCMT-YVLHZVERSA-N 0 0 507.178 5.097 40 10 KKCBRN c1sc(=Nc2ccccc2)n(CCCCCCn2c(-c3ccccc3)csc2=Nc2ccccc2)c1-c1ccccc1 ZINC000100840887 554489074 /nfs/dbraw/zinc/48/90/74/554489074.db2.gz BYCMIWUUJSOPGW-UHFFFAOYSA-P 0 0 588.846 9.466 40 10 KKCBRN CCOc1cc(Br)c(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O ZINC000100929893 554526446 /nfs/dbraw/zinc/52/64/46/554526446.db2.gz HSKOCEVFXLLDSM-RIYZIHGNSA-N 0 0 515.248 5.722 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000100946857 554534882 /nfs/dbraw/zinc/53/48/82/554534882.db2.gz TVLUFOMOKGTVSB-ASUJOLEISA-N 0 0 548.111 6.380 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1C(F)(F)F ZINC000101002043 554552545 /nfs/dbraw/zinc/55/25/45/554552545.db2.gz JJPARAMOPJTZOE-WJDWOHSUSA-N 0 0 515.376 5.698 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(Br)c1 ZINC000101002078 554552549 /nfs/dbraw/zinc/55/25/49/554552549.db2.gz LZNSUVKXIUNZRG-YBEGLDIGSA-N 0 0 526.275 5.442 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 ZINC000101002100 554552603 /nfs/dbraw/zinc/55/26/03/554552603.db2.gz UDPZRKZUZYBVLG-HMMYKYKNSA-N 0 0 547.496 5.636 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Br)cc1 ZINC000101002085 554552624 /nfs/dbraw/zinc/55/26/24/554552624.db2.gz KBTNPQCDTOXTGX-WJDWOHSUSA-N 0 0 526.275 5.442 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000101002109 554552659 /nfs/dbraw/zinc/55/26/59/554552659.db2.gz YQBHLHGSTOKWMR-CJLVFECKSA-N 0 0 523.477 6.346 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)SC1=S)Nc1ccc(F)cc1 ZINC000101002458 554552903 /nfs/dbraw/zinc/55/29/03/554552903.db2.gz PPWJEDDRNUTJSA-QURGRASLSA-N 0 0 620.750 5.035 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)c1 ZINC000101002725 554553366 /nfs/dbraw/zinc/55/33/66/554553366.db2.gz MFODDWRAHIXTSC-BKUYFWCQSA-N 0 0 544.123 6.016 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000101005137 554553524 /nfs/dbraw/zinc/55/35/24/554553524.db2.gz BCQDRCCCMMSHBS-JCMHNJIXSA-N 0 0 553.528 6.870 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1OC ZINC000101005553 554553765 /nfs/dbraw/zinc/55/37/65/554553765.db2.gz XBKJFSOSIUGNRS-ODLFYWEKSA-N 0 0 545.004 5.996 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101006341 554554160 /nfs/dbraw/zinc/55/41/60/554554160.db2.gz VOUPKAJPTDWXPP-JWGURIENSA-N 0 0 542.151 6.788 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000101006440 554554168 /nfs/dbraw/zinc/55/41/68/554554168.db2.gz MMGXTPWEWMZTPE-JAIQZWGSSA-N 0 0 527.926 7.356 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(I)c3)C2=O)cc1OC ZINC000101006815 554554416 /nfs/dbraw/zinc/55/44/16/554554416.db2.gz WJUYQHYDNVNALT-STZFKDTASA-N 0 0 596.512 5.709 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1OC ZINC000101006833 554554565 /nfs/dbraw/zinc/55/45/65/554554565.db2.gz ARBCYZYTJNEVCO-OOAXWGSJSA-N 0 0 546.714 6.771 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1OC ZINC000101006951 554554615 /nfs/dbraw/zinc/55/46/15/554554615.db2.gz ADGSSYMPKFDNGG-DIBXZPPDSA-N 0 0 576.765 7.295 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000101007082 554554790 /nfs/dbraw/zinc/55/47/90/554554790.db2.gz MKEVPZRGTPTTKO-ONUIUJJFSA-N 0 0 560.722 7.006 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101007123 554554959 /nfs/dbraw/zinc/55/49/59/554554959.db2.gz NBQSTLSIZMLNGZ-ZHZULCJRSA-N 0 0 594.496 5.478 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Br)cc1 ZINC000101007263 554555252 /nfs/dbraw/zinc/55/52/52/554555252.db2.gz DXBOUAMCVYNYBP-RGEXLXHISA-N 0 0 523.905 6.503 40 10 KKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101007607 554555460 /nfs/dbraw/zinc/55/54/60/554555460.db2.gz YEQBRMAUFAEFCH-LMKPGGDOSA-N 0 0 521.088 6.927 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(I)cc2)C1=O ZINC000101007775 554555673 /nfs/dbraw/zinc/55/56/73/554555673.db2.gz FUMBRIWUJHPXJO-GEZYKDBCSA-N 0 0 548.471 5.858 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101007652 554555727 /nfs/dbraw/zinc/55/57/27/554555727.db2.gz GEUAQEUJVVHHKZ-KACMKLLYSA-N 0 0 526.108 6.174 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1=O ZINC000101007834 554555886 /nfs/dbraw/zinc/55/58/86/554555886.db2.gz FWBXADUSDUMKKL-QGNHQIOZSA-N 0 0 563.169 8.097 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2c3ccccc3Sc3ccccc32)C1=O ZINC000101007832 554555895 /nfs/dbraw/zinc/55/58/95/554555895.db2.gz LNZAEJSFOUMGRT-YREFIWLBSA-N 0 0 528.724 7.444 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(I)cc2)C1=O ZINC000101007847 554555933 /nfs/dbraw/zinc/55/59/33/554555933.db2.gz GGBNIEPYDAUAMQ-UJUKKVGJSA-N 0 0 520.417 5.077 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(I)cc1 ZINC000101008276 554556583 /nfs/dbraw/zinc/55/65/83/554556583.db2.gz HGMYDWHWTYJYJY-SFQUDFHCSA-N 0 0 542.851 5.565 40 10 KKCBRN CC[C@@H](C)NC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)N[C@@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000101016992 554560639 /nfs/dbraw/zinc/56/06/39/554560639.db2.gz ZLZYTIPJJZSBFV-COOONAJRSA-N 0 0 612.824 5.384 40 10 KKCBRN CC(C)(C)OC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OC(C)(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101016983 554560679 /nfs/dbraw/zinc/56/06/79/554560679.db2.gz FZQVUZJCXJBLST-FMQUCBEESA-N 0 0 614.792 6.238 40 10 KKCBRN CC(C)OC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OC(C)C)c4)C3=O)SC2=S)c1 ZINC000101017017 554560797 /nfs/dbraw/zinc/56/07/97/554560797.db2.gz BINOVRFNDZWIGS-FMQUCBEESA-N 0 0 586.738 5.458 40 10 KKCBRN CC[C@@H](C)NC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)N[C@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000101016998 554560858 /nfs/dbraw/zinc/56/08/58/554560858.db2.gz ZLZYTIPJJZSBFV-RRLOWTIWSA-N 0 0 612.824 5.384 40 10 KKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 ZINC000101141162 554653515 /nfs/dbraw/zinc/65/35/15/554653515.db2.gz SXYBXRPOJDLVCC-RYQLWAFASA-N 0 0 559.457 6.739 40 10 KKCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000101501188 554788409 /nfs/dbraw/zinc/78/84/09/554788409.db2.gz IIBJBWCRIBQNSL-SSDNIZNZSA-N 0 0 535.626 5.625 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cc(OC)c(OCC(=O)NC4CCCCC4)cc3Br)C2=O)cc1 ZINC000101570992 554797659 /nfs/dbraw/zinc/79/76/59/554797659.db2.gz DLKGVWOMKWUJFP-OEAKJJBVSA-N 0 0 598.494 5.268 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590418 554802809 /nfs/dbraw/zinc/80/28/09/554802809.db2.gz XKDLHQXYIQARTK-JFHPUIQFSA-N 0 0 574.032 6.582 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000101909116 554849239 /nfs/dbraw/zinc/84/92/39/554849239.db2.gz VLDMWJHRSVAIFT-UUYOSTAYSA-N 0 0 529.014 5.911 40 10 KKCBRN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)C2CCCC2)C(Cl)(Cl)Cl)c(C)c1 ZINC000102295691 554907724 /nfs/dbraw/zinc/90/77/24/554907724.db2.gz CSOFNBXBYDLHKF-WTRUXQSKSA-N 0 0 526.921 7.008 40 10 KKCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=N)S1 ZINC000102446576 554930750 /nfs/dbraw/zinc/93/07/50/554930750.db2.gz GCKCWRHQFRNYCX-NMZFSUIYSA-N 0 0 550.600 5.604 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000102469339 554936142 /nfs/dbraw/zinc/93/61/42/554936142.db2.gz RAUIUWBTKPBTPJ-AJUVRHARSA-N 0 0 576.472 6.220 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000102469426 554936198 /nfs/dbraw/zinc/93/61/98/554936198.db2.gz GXKWOVCSPLXQHQ-VVNJJRPXSA-N 0 0 564.436 6.480 40 10 KKCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4cccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])c4)C3=N)S2)c1 ZINC000102470820 554936374 /nfs/dbraw/zinc/93/63/74/554936374.db2.gz UXMBZKMOYHMLJD-QQGDKRIQSA-N 0 0 551.506 6.382 40 10 KKCBRN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 ZINC000102474683 554936857 /nfs/dbraw/zinc/93/68/57/554936857.db2.gz NEBHZVQCIWUNDI-PQLYDUPZSA-N 0 0 516.671 5.239 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102544271 554958419 /nfs/dbraw/zinc/95/84/19/554958419.db2.gz JJWHMQLXDSNJRH-IDZRBWSNSA-N 0 0 564.468 7.618 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1 ZINC000102677259 555004359 /nfs/dbraw/zinc/00/43/59/555004359.db2.gz IULWGHVQPFFMLC-RBZQAINGSA-N 0 0 533.502 5.524 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102869973 555099860 /nfs/dbraw/zinc/09/98/60/555099860.db2.gz KTGBCVVFEIEYEJ-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102884021 555112619 /nfs/dbraw/zinc/11/26/19/555112619.db2.gz IVVRMERCLGCKNC-AYQJTBPPSA-N 0 0 555.630 6.329 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000102884737 555114536 /nfs/dbraw/zinc/11/45/36/555114536.db2.gz ZWAAKBJIFINYEA-IDZRBWSNSA-N 0 0 592.464 7.213 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102890961 555126461 /nfs/dbraw/zinc/12/64/61/555126461.db2.gz YABKFNNYPOYVOH-IDZRBWSNSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102893479 555131053 /nfs/dbraw/zinc/13/10/53/555131053.db2.gz NFWVRIGXSHCTFD-NGDRWEMDSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102895473 555134697 /nfs/dbraw/zinc/13/46/97/555134697.db2.gz DCSGPQSKPVQVDX-XWHIBYANSA-N 0 0 589.619 6.168 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102942708 555170775 /nfs/dbraw/zinc/17/07/75/555170775.db2.gz CXMPQWBMCKMPDJ-CJFQQIECSA-N 0 0 591.737 5.523 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102974101 555183802 /nfs/dbraw/zinc/18/38/02/555183802.db2.gz IIFLQEYPKKGJHZ-ZGJXBICYSA-N 0 0 591.737 5.523 40 10 KKCBRN Cc1cc(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103066933 555247160 /nfs/dbraw/zinc/24/71/60/555247160.db2.gz NPJGLYXICSCGOI-UHFFFAOYSA-N 0 0 574.493 6.723 40 10 KKCBRN O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103521597 555426570 /nfs/dbraw/zinc/42/65/70/555426570.db2.gz MTHFDFQUYPGEIC-ZONZVBGPSA-N 0 0 522.025 6.718 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103531828 555432326 /nfs/dbraw/zinc/43/23/26/555432326.db2.gz WPCMTYUUNYPEBU-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103534477 555434751 /nfs/dbraw/zinc/43/47/51/555434751.db2.gz IXHAEEBZNSFMDO-PKTNWEFCSA-N 0 0 540.059 6.787 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103540216 555438074 /nfs/dbraw/zinc/43/80/74/555438074.db2.gz UKSPDUBARWDXOP-IDZRBWSNSA-N 0 0 574.564 6.059 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103543124 555439440 /nfs/dbraw/zinc/43/94/40/555439440.db2.gz LBYBIVPQQYEWOB-WKNISULPSA-N 0 0 567.685 7.210 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103551700 555444104 /nfs/dbraw/zinc/44/41/04/555444104.db2.gz OANGWAPUYGARBC-NGDRWEMDSA-N 0 0 540.575 6.220 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000103552496 555444527 /nfs/dbraw/zinc/44/45/27/555444527.db2.gz SBZOPAIQZLMSAG-FRXPANAUSA-N 0 0 540.575 6.220 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103553533 555445203 /nfs/dbraw/zinc/44/52/03/555445203.db2.gz MBDBXPOEOAQUPJ-ULNSLHSMSA-N 0 0 582.077 6.735 40 10 KKCBRN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000103556457 555446197 /nfs/dbraw/zinc/44/61/97/555446197.db2.gz AXNYNMNQYJKAQX-NGDRWEMDSA-N 0 0 564.468 7.618 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103564970 555450130 /nfs/dbraw/zinc/45/01/30/555450130.db2.gz FIARANKXUHZVLJ-RQUXIJKASA-N 0 0 519.564 5.373 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C([C@H](CC)c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103605241 555454850 /nfs/dbraw/zinc/45/48/50/555454850.db2.gz ZDDIOVVXGBCKMM-DHCYYCCNSA-N 0 0 529.578 6.066 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103783823 555476740 /nfs/dbraw/zinc/47/67/40/555476740.db2.gz MWGAUZVGSBCUOM-POKSHJSXSA-N 0 0 612.126 6.136 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103783821 555476749 /nfs/dbraw/zinc/47/67/49/555476749.db2.gz MWGAUZVGSBCUOM-KUSDHMTMSA-N 0 0 612.126 6.136 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790009 555479601 /nfs/dbraw/zinc/47/96/01/555479601.db2.gz KEKBWLQXUPCSEY-KEPJHFNWSA-N 0 0 574.146 5.983 40 10 KKCBRN O=c1c(=CC2=CC(=NNc3ccccc3)C=CC2=O)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103791241 555480896 /nfs/dbraw/zinc/48/08/96/555480896.db2.gz UZVXJSOZZUYKQK-IRSXEGRJSA-N 0 0 558.638 6.579 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000103794908 555481799 /nfs/dbraw/zinc/48/17/99/555481799.db2.gz XJFJELSFKZEYBN-JCMHNJIXSA-N 0 0 550.478 6.007 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000103855144 571365919 /nfs/dbraw/zinc/36/59/19/571365919.db2.gz HLGLRZOLTANKFX-WPWMEQJKSA-N 0 0 554.444 6.748 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000103853889 571365928 /nfs/dbraw/zinc/36/59/28/571365928.db2.gz GTFOKSJGFRBTPV-ITYLOYPMSA-N 0 0 524.667 7.104 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)c(C)c1 ZINC000103855197 571365994 /nfs/dbraw/zinc/36/59/94/571365994.db2.gz XRXYSTQKHGTKJB-TURZUDJPSA-N 0 0 547.611 6.081 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1Cl ZINC000103855205 571365995 /nfs/dbraw/zinc/36/59/95/571365995.db2.gz XVEHIXLICDCGGH-WPWMEQJKSA-N 0 0 568.029 6.426 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)c(Br)c1 ZINC000103858042 571366390 /nfs/dbraw/zinc/36/63/90/571366390.db2.gz HXHCHUWAKAZIMJ-BOPFTXTBSA-N 0 0 530.172 5.446 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000103858023 571366428 /nfs/dbraw/zinc/36/64/28/571366428.db2.gz FNHJYCACPYIJIW-RRAHZORUSA-N 0 0 588.461 7.240 40 10 KKCBRN Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000103858156 571366440 /nfs/dbraw/zinc/36/64/40/571366440.db2.gz HASVIOYNKVKATG-ONUIUJJFSA-N 0 0 540.417 6.190 40 10 KKCBRN O=C1C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103866318 571367960 /nfs/dbraw/zinc/36/79/60/571367960.db2.gz ZOGRPXVMZZIDPD-UHFFFAOYSA-N 0 0 528.431 5.988 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103874204 571368320 /nfs/dbraw/zinc/36/83/20/571368320.db2.gz SELZXLCEKFLEEA-CXUHLZMHSA-N 0 0 582.657 6.276 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000103891526 571368705 /nfs/dbraw/zinc/36/87/05/571368705.db2.gz KNXWOPSMYCRBBT-NBQDTTAVSA-N 0 0 549.646 6.004 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000103998826 571370987 /nfs/dbraw/zinc/37/09/87/571370987.db2.gz YIEICXSUEIMIKC-LSMIHOHGSA-N 0 0 595.880 6.908 40 10 KKCBRN CCC(=O)OC[C@H]1O[C@@H](Oc2ccc(/N=N\c3ccccc3)cc2)[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC ZINC000104040530 571371543 /nfs/dbraw/zinc/37/15/43/571371543.db2.gz AMSVXLPPAZFKDC-SWFGDNLJSA-N 0 0 584.622 5.124 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000104043223 571371599 /nfs/dbraw/zinc/37/15/99/571371599.db2.gz KJDIAXSQYAPYKT-LSMIHOHGSA-N 0 0 561.981 6.053 40 10 KKCBRN Cc1ccc(/N=N/C2=C3Sc4ccccc4N=C2N(c2ccc(Br)cc2)C(=S)N3c2ccc(Cl)cc2)cc1 ZINC000104238535 571377672 /nfs/dbraw/zinc/37/76/72/571377672.db2.gz SIUJXRSXAXTONC-JEIPZWNWSA-N 0 0 616.997 9.811 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=NCCN2)N1c1ccccn1 ZINC000104238551 571377706 /nfs/dbraw/zinc/37/77/06/571377706.db2.gz HLXCCNGESVOVAL-NVQSTNCTSA-N 0 0 528.856 6.608 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000222626995 571377927 /nfs/dbraw/zinc/37/79/27/571377927.db2.gz PRZHCXIPYAIJMA-CQSZACIVSA-N 0 0 540.498 5.127 40 10 KKCBRN O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000104296795 571378572 /nfs/dbraw/zinc/37/85/72/571378572.db2.gz PRUOUANBINANJR-YHZPTAEISA-N 0 0 564.989 7.863 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 ZINC000104405595 571380634 /nfs/dbraw/zinc/38/06/34/571380634.db2.gz DEMLVGPYENOSDV-UHFFFAOYSA-N 0 0 585.726 5.127 40 10 KKCBRN C[C@@H](OC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000104573674 571381585 /nfs/dbraw/zinc/38/15/85/571381585.db2.gz IZEKQPNBEARVMC-JUCXRMOOSA-N 0 0 550.449 5.456 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104645929 571381747 /nfs/dbraw/zinc/38/17/47/571381747.db2.gz XEZFTEPNQQOCGO-FISMMAAMSA-N 0 0 581.694 7.418 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c(C)c1 ZINC000104645843 571381853 /nfs/dbraw/zinc/38/18/53/571381853.db2.gz UHPOARYWDIAUBG-CUMRGQLISA-N 0 0 553.478 6.422 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104646949 571382105 /nfs/dbraw/zinc/38/21/05/571382105.db2.gz GNJXGWJZWXMXAS-DXMSMQRWSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647244 571382142 /nfs/dbraw/zinc/38/21/42/571382142.db2.gz ZUHWKHMTOQTRBM-DXMSMQRWSA-N 0 0 540.299 7.928 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647400 571382169 /nfs/dbraw/zinc/38/21/69/571382169.db2.gz ZXLINGZYOZYAFR-YZUZCNPQSA-N 0 0 550.305 7.383 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647518 571382176 /nfs/dbraw/zinc/38/21/76/571382176.db2.gz OBOQWVGCYIKAMU-CLCZQPDDSA-N 0 0 527.517 7.918 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647378 571382208 /nfs/dbraw/zinc/38/22/08/571382208.db2.gz AVOCLBBSMOITJQ-XLNZFTOWSA-N 0 0 540.299 7.928 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647482 571382218 /nfs/dbraw/zinc/38/22/18/571382218.db2.gz VYZVJJUZGFFTSO-LZCXECNNSA-N 0 0 561.487 6.647 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647664 571382390 /nfs/dbraw/zinc/38/23/90/571382390.db2.gz HODQNGFDKYTHAR-CEYNDMKZSA-N 0 0 530.433 6.837 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648336 571382527 /nfs/dbraw/zinc/38/25/27/571382527.db2.gz GGYVGMPHHBCQDG-WZOHSFFVSA-N 0 0 525.424 5.805 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104648293 571382533 /nfs/dbraw/zinc/38/25/33/571382533.db2.gz HYFVIAPVHJRFPL-GLDPYIMESA-N 0 0 526.412 5.985 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104648901 571382757 /nfs/dbraw/zinc/38/27/57/571382757.db2.gz LFTBSJRAKUHVEV-VKIDHGPPSA-N 0 0 569.477 6.204 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649283 571382767 /nfs/dbraw/zinc/38/27/67/571382767.db2.gz DIBWBAJGOBNUTF-NPLMNSEMSA-N 0 0 538.669 7.505 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649267 571382783 /nfs/dbraw/zinc/38/27/83/571382783.db2.gz YMFRAYZFJLWWAM-HEHLMWRFSA-N 0 0 524.642 7.115 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648750 571382805 /nfs/dbraw/zinc/38/28/05/571382805.db2.gz PXOXSKPMTUAYMN-BALWLHIASA-N 0 0 593.067 7.784 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649042 571382817 /nfs/dbraw/zinc/38/28/17/571382817.db2.gz PLUZAOZFOWNRAM-ZDXGUKGBSA-N 0 0 555.450 5.814 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000104648843 571382822 /nfs/dbraw/zinc/38/28/22/571382822.db2.gz UWPLROSZDKMLRQ-UZINWLIJSA-N 0 0 526.014 6.274 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1OC ZINC000104649712 571383052 /nfs/dbraw/zinc/38/30/52/571383052.db2.gz VLCOGUZRDAUUEI-VKIDHGPPSA-N 0 0 571.493 6.102 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104650216 571383157 /nfs/dbraw/zinc/38/31/57/571383157.db2.gz VXRCJDWSWXEZSI-VYKTZEHYSA-N 0 0 531.475 7.230 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650441 571383327 /nfs/dbraw/zinc/38/33/27/571383327.db2.gz ABVPSDLHYLCIPJ-GLDPYIMESA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc([N+](=O)[O-])cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657339 571384312 /nfs/dbraw/zinc/38/43/12/571384312.db2.gz ZFQDAUYESOYCPT-SAGCDJCOSA-N 0 0 588.689 5.643 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657327 571384348 /nfs/dbraw/zinc/38/43/48/571384348.db2.gz DDSOJUJHVGUZIJ-GSTVVXAASA-N 0 0 578.137 6.388 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658485 571384535 /nfs/dbraw/zinc/38/45/35/571384535.db2.gz SIISWUJFTNLJNI-VPHSIRQSSA-N 0 0 602.554 5.164 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000104660676 571384981 /nfs/dbraw/zinc/38/49/81/571384981.db2.gz IVVJARWHLMOPNM-UHFFFAOYSA-N 0 0 616.189 5.229 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000104660852 571384996 /nfs/dbraw/zinc/38/49/96/571384996.db2.gz IVGFFVNKEPZWEG-UHFFFAOYSA-N 0 0 567.186 5.453 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000104677098 571385323 /nfs/dbraw/zinc/38/53/23/571385323.db2.gz DRJSMCUHPUSCHT-HVDVVURSSA-N 0 0 602.200 6.763 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=CC3=CC(=NNc4ccccc4)C=CC3=O)sc2=N1 ZINC000104677396 571385402 /nfs/dbraw/zinc/38/54/02/571385402.db2.gz GBVZMOMCWFPFFA-UTWWMDRESA-N 0 0 594.737 6.823 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000104677365 571385441 /nfs/dbraw/zinc/38/54/41/571385441.db2.gz JWOSCGGVKDQBQD-PCJRJIAFSA-N 0 0 545.749 5.548 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCC ZINC000105026750 571389940 /nfs/dbraw/zinc/38/99/40/571389940.db2.gz SJHQZCLPGIONHP-QNGOZBTKSA-N 0 0 538.385 5.923 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000105318200 571400674 /nfs/dbraw/zinc/40/06/74/571400674.db2.gz HMNSANQMTRQMCX-RCIGZPMMSA-N 0 0 504.681 5.139 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499266 571406108 /nfs/dbraw/zinc/40/61/08/571406108.db2.gz CFEHUAZVUOWHLK-ZGOFBEGVSA-N 0 0 578.159 5.581 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499859 571406251 /nfs/dbraw/zinc/40/62/51/571406251.db2.gz YMSSMMGOGTYARZ-BIWBSIMWSA-N 0 0 606.542 5.195 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499857 571406325 /nfs/dbraw/zinc/40/63/25/571406325.db2.gz YMSSMMGOGTYARZ-ZGOFBEGVSA-N 0 0 606.542 5.195 40 10 KKCBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1c3ccccc3C2(Br)c2ccccc21 ZINC000105501708 571406775 /nfs/dbraw/zinc/40/67/75/571406775.db2.gz JNSYCOCGTWJHNU-NSNRRZCZSA-N 0 0 534.413 7.005 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105668698 571408119 /nfs/dbraw/zinc/40/81/19/571408119.db2.gz SZVUGTFCUUXMRR-LPYMAVHISA-N 0 0 574.558 6.637 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000105670932 571408236 /nfs/dbraw/zinc/40/82/36/571408236.db2.gz HBWWCFCGQASHRV-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000106683098 571413509 /nfs/dbraw/zinc/41/35/09/571413509.db2.gz OFLLZFWZZWYXTF-MTJSOVHGSA-N 0 0 548.833 6.589 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106692730 571414045 /nfs/dbraw/zinc/41/40/45/571414045.db2.gz XWVSMKXJZDFKPY-QFEZKATASA-N 0 0 536.585 5.215 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106698559 571414299 /nfs/dbraw/zinc/41/42/99/571414299.db2.gz QNSDXTHHYUOQRX-QFEZKATASA-N 0 0 570.484 6.069 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106700583 571414485 /nfs/dbraw/zinc/41/44/85/571414485.db2.gz TVCDCPIDSPOLTG-YSMPRRRNSA-N 0 0 551.068 6.883 40 10 KKCBRN O=C(CN1C(=O)SC(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)C1=O)Nc1ccccc1 ZINC000106709863 571415144 /nfs/dbraw/zinc/41/51/44/571415144.db2.gz ZVMJZANRLQNUDJ-KWRPRTBKSA-N 0 0 527.389 6.789 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106722823 571415887 /nfs/dbraw/zinc/41/58/87/571415887.db2.gz FYKXUJDZFJDBKI-UUYOSTAYSA-N 0 0 607.311 7.006 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106728400 571416411 /nfs/dbraw/zinc/41/64/11/571416411.db2.gz UGYZDUPFMUQUGX-FBHDLOMBSA-N 0 0 502.379 6.546 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106732320 571416590 /nfs/dbraw/zinc/41/65/90/571416590.db2.gz UDHDVGVYHURGPW-QFEZKATASA-N 0 0 581.492 6.602 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106732339 571416652 /nfs/dbraw/zinc/41/66/52/571416652.db2.gz QLUWXDKPUKPVAZ-QFEZKATASA-N 0 0 597.491 5.838 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1Br ZINC000106738002 571416997 /nfs/dbraw/zinc/41/69/97/571416997.db2.gz MXHBQDZEKWSQDQ-YVLHZVERSA-N 0 0 543.224 5.356 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106764607 571418095 /nfs/dbraw/zinc/41/80/95/571418095.db2.gz OQQZFEYFFZOIMK-ONUIUJJFSA-N 0 0 547.474 7.125 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(Br)c1 ZINC000107489900 571420169 /nfs/dbraw/zinc/42/01/69/571420169.db2.gz ZYXQLXPJVPIEOE-HYARGMPZSA-N 0 0 504.384 5.581 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000109141586 571428597 /nfs/dbraw/zinc/42/85/97/571428597.db2.gz GGBODRNUXKBADK-UHFFFAOYSA-N 0 0 552.627 6.552 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100462 571431118 /nfs/dbraw/zinc/43/11/18/571431118.db2.gz LUHXYSDNVMKBDE-WDYNHAJCSA-N 0 0 501.744 6.641 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144478 571435967 /nfs/dbraw/zinc/43/59/67/571435967.db2.gz GGPQYRMVYXAFKC-RPBOFIJWSA-N 0 0 530.525 5.101 40 10 KKCBRN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000113625827 571441480 /nfs/dbraw/zinc/44/14/80/571441480.db2.gz LLRVPSVLZIJMJA-UHFFFAOYSA-N 0 0 552.018 5.471 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182623 571441675 /nfs/dbraw/zinc/44/16/75/571441675.db2.gz NLOYWONUUXQASI-UIOOFZCWSA-N 0 0 543.659 5.203 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830759 571442380 /nfs/dbraw/zinc/44/23/80/571442380.db2.gz CSNCJIMZFWACPW-LSHDLFTRSA-N 0 0 536.889 7.640 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113830975 571442390 /nfs/dbraw/zinc/44/23/90/571442390.db2.gz FIYIZYMDDNBUGS-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113830768 571442424 /nfs/dbraw/zinc/44/24/24/571442424.db2.gz DLSJVESKRKMCQT-WSDLNYQXSA-N 0 0 580.447 7.461 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000113831238 571442542 /nfs/dbraw/zinc/44/25/42/571442542.db2.gz FKBJHKOVEQGTLM-UHFFFAOYSA-N 0 0 538.600 6.162 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187818 571442612 /nfs/dbraw/zinc/44/26/12/571442612.db2.gz BMNFVOKRINDTCX-IZZNHLLZSA-N 0 0 544.552 5.491 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833381 571442676 /nfs/dbraw/zinc/44/26/76/571442676.db2.gz AWLVYEAHXTYGEZ-LPYMAVHISA-N 0 0 523.548 5.496 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113835416 571442757 /nfs/dbraw/zinc/44/27/57/571442757.db2.gz QOFGRKQHWQFNAX-UHFFFAOYSA-N 0 0 546.479 7.149 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113835467 571442737 /nfs/dbraw/zinc/44/27/37/571442737.db2.gz XESULXVBSLZWBO-UHFFFAOYSA-N 0 0 517.031 6.833 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000113836161 571442752 /nfs/dbraw/zinc/44/27/52/571442752.db2.gz KVMLCRDLXVTYFQ-CIAFOILYSA-N 0 0 593.337 7.644 40 10 KKCBRN CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@@H](C)CC(=O)C(=O)c4ccccc4)CC[C@H]3[C@H]12 ZINC000118925939 571447041 /nfs/dbraw/zinc/44/70/41/571447041.db2.gz XVYPUPYMYWLUHE-CHUGIECBSA-N 0 0 608.772 6.138 40 10 KKCBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000138724690 571451879 /nfs/dbraw/zinc/45/18/79/571451879.db2.gz KYUKGCNYSASAGD-UHFFFAOYSA-N 0 0 609.904 7.647 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000144221616 571456490 /nfs/dbraw/zinc/45/64/90/571456490.db2.gz OIYFOYMPLIRNCC-DICXZTSXSA-N 0 0 549.479 8.221 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000144734634 571456508 /nfs/dbraw/zinc/45/65/08/571456508.db2.gz BKXCKVZUQDLJIB-XYGWBWBKSA-N 0 0 529.423 7.416 40 10 KKCBRN Nc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N)cc7)cc5)C6=O)cc4C3=O)cc2)cc1 ZINC000150351372 571462213 /nfs/dbraw/zinc/46/22/13/571462213.db2.gz JASWOKSHSDAUNW-UHFFFAOYSA-N 0 0 686.680 7.268 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150363309 571464199 /nfs/dbraw/zinc/46/41/99/571464199.db2.gz RBWRGOJXHIKQHH-SLDXWZKBSA-N 0 0 656.135 5.864 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)/C1=C(\N[C@@H]1CCCC[C@@H]1N/C(=C1/C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150373561 571466125 /nfs/dbraw/zinc/46/61/25/571466125.db2.gz GEIIXGCPOFWFOA-YPEMSLPOSA-N 0 0 666.920 8.746 40 10 KKCBRN c1ccc(/C(N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)=C(\N=N\C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000150374003 571466224 /nfs/dbraw/zinc/46/62/24/571466224.db2.gz JHYJIVGZSFPPKL-JXIOMVDZSA-N 0 0 720.920 13.401 40 10 KKCBRN COc1ccc(CN(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 ZINC000150387378 571469942 /nfs/dbraw/zinc/46/99/42/571469942.db2.gz GUWVPYXXTLETSA-UHFFFAOYSA-N 0 0 663.862 5.729 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C ZINC000150388515 571470994 /nfs/dbraw/zinc/47/09/94/571470994.db2.gz LQZFGPJGXVFSTR-DEKOHSOTSA-N 0 0 657.558 8.637 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000150389086 571471483 /nfs/dbraw/zinc/47/14/83/571471483.db2.gz IHQDPMNOPUHPCY-LICLKQGHSA-N 0 0 637.302 5.705 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223410274 571472588 /nfs/dbraw/zinc/47/25/88/571472588.db2.gz DPLXGFDMONFWEN-IOWSJCHKSA-N 0 0 553.732 5.507 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223421655 571474152 /nfs/dbraw/zinc/47/41/52/571474152.db2.gz UZZNAKXEMXKCSQ-KAYWLYCHSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223424027 571474502 /nfs/dbraw/zinc/47/45/02/571474502.db2.gz RVPQQAMOGFXDMD-WDYNHAJCSA-N 0 0 511.695 5.736 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424325 571474515 /nfs/dbraw/zinc/47/45/15/571474515.db2.gz VPLHUDQUKWYJEZ-IOWSJCHKSA-N 0 0 539.749 6.517 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223424523 571474660 /nfs/dbraw/zinc/47/46/60/571474660.db2.gz OJMCCLRMKNLXMU-SXOMAYOGSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223424778 571474692 /nfs/dbraw/zinc/47/46/92/571474692.db2.gz QEMVUWAPBSVMJN-SXOMAYOGSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223426279 571474877 /nfs/dbraw/zinc/47/48/77/571474877.db2.gz PNKUFHWICAHGEA-DGPALRBDSA-N 0 0 510.707 6.596 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223427245 571474939 /nfs/dbraw/zinc/47/49/39/571474939.db2.gz LCCMGAASTOIIPW-NSOVKSMOSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223427105 571474975 /nfs/dbraw/zinc/47/49/75/571474975.db2.gz FFNDMDHDSITTRZ-WUFINQPMSA-N 0 0 543.649 5.587 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223427352 571475061 /nfs/dbraw/zinc/47/50/61/571475061.db2.gz LCCMGAASTOIIPW-WUFINQPMSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223428056 571475102 /nfs/dbraw/zinc/47/51/02/571475102.db2.gz MCXLUXOAAFMJSF-IZLXSDGUSA-N 0 0 543.649 5.587 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)c1 ZINC000223444626 571477617 /nfs/dbraw/zinc/47/76/17/571477617.db2.gz QTKUBTJTEWFZQE-NSOVKSMOSA-N 0 0 526.662 5.457 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223444785 571477651 /nfs/dbraw/zinc/47/76/51/571477651.db2.gz WQWAKERBEVUMAK-IZLXSDGUSA-N 0 0 526.662 5.457 40 10 KKCBRN CC[C@H](C)NC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)N[C@@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000150399495 571477710 /nfs/dbraw/zinc/47/77/10/571477710.db2.gz FTMKWSMQJIEZHS-RQPZFVPNSA-N 0 0 640.878 5.242 40 10 KKCBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)SC1=S)c1ccc(OCc2ccccc2)cc1 ZINC000150400416 571478074 /nfs/dbraw/zinc/47/80/74/571478074.db2.gz VBWOJTIMORDBLI-BYYHNAKLSA-N 0 0 712.856 5.767 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224118188 571479418 /nfs/dbraw/zinc/47/94/18/571479418.db2.gz YSDYQDGQUZAJJI-CKUCSLQLSA-N 0 0 638.203 8.821 40 10 KKCBRN S=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc(c2=NNc2cc(Cl)ccc2Cl)n1-c1ccc(Br)cc1 ZINC000150405831 571479496 /nfs/dbraw/zinc/47/94/96/571479496.db2.gz WZRRVUMHZVXIJV-ULDVOPSXSA-N 0 0 654.808 10.130 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223464175 571480797 /nfs/dbraw/zinc/48/07/97/571480797.db2.gz LGTVGVBIFAKOGJ-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224127771 571481763 /nfs/dbraw/zinc/48/17/63/571481763.db2.gz UYUKTLOOAJYRAD-GSYQMTENSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224130294 571482462 /nfs/dbraw/zinc/48/24/62/571482462.db2.gz LWFCJIHVNVMSPL-OTWWGAIPSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224130156 571482526 /nfs/dbraw/zinc/48/25/26/571482526.db2.gz LWFCJIHVNVMSPL-CKUCSLQLSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224130613 571482529 /nfs/dbraw/zinc/48/25/29/571482529.db2.gz CTRLHHSOFRMSMV-WTEHXLFCSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224130825 571482684 /nfs/dbraw/zinc/48/26/84/571482684.db2.gz DDOOICAEZZAWFZ-WTEHXLFCSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224133919 571483229 /nfs/dbraw/zinc/48/32/29/571483229.db2.gz RZVXVCQKYSKXCS-IOORDHDVSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224134409 571483418 /nfs/dbraw/zinc/48/34/18/571483418.db2.gz GBCFJMKVWHZQQA-YWCASELZSA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224135048 571483605 /nfs/dbraw/zinc/48/36/05/571483605.db2.gz IVCDCTNRRCANGH-DRHZDZKSSA-N 0 0 618.678 8.764 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135765 571483844 /nfs/dbraw/zinc/48/38/44/571483844.db2.gz WBCHKMNVQBLXRJ-UYSIWUAJSA-N 0 0 612.287 8.673 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223484955 571485086 /nfs/dbraw/zinc/48/50/86/571485086.db2.gz VZFYGSDHVVGPOT-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224148918 571486446 /nfs/dbraw/zinc/48/64/46/571486446.db2.gz XUDVFMNTUBMCFE-DRGKEXPISA-N 0 0 628.242 7.589 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224148973 571486473 /nfs/dbraw/zinc/48/64/73/571486473.db2.gz XUDVFMNTUBMCFE-HYEYWOLSSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Br)c1 ZINC000223497450 571487111 /nfs/dbraw/zinc/48/71/11/571487111.db2.gz QLKAQTMMHFYVOT-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)SC1=S)N1CCN(c2ccccc2)CC1 ZINC000150420547 571487358 /nfs/dbraw/zinc/48/73/58/571487358.db2.gz RQDGJUSRSANLRW-JEIPZWNWSA-N 0 0 779.092 5.737 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000150422873 571488654 /nfs/dbraw/zinc/48/86/54/571488654.db2.gz RRNAVOBADFOWHB-AJBULDERSA-N 0 0 722.579 8.622 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150425664 571489847 /nfs/dbraw/zinc/48/98/47/571489847.db2.gz MZSXWUMQIFBNLI-FYJGNVAPSA-N 0 0 634.371 6.345 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223520023 571492649 /nfs/dbraw/zinc/49/26/49/571492649.db2.gz CMGVRAJGHWETNY-CFRMEGHHSA-N 0 0 507.631 6.219 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1C ZINC000223520647 571492842 /nfs/dbraw/zinc/49/28/42/571492842.db2.gz MBOLUTTWGJEVDH-WGARJPEWSA-N 0 0 517.695 6.697 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223523439 571493542 /nfs/dbraw/zinc/49/35/42/571493542.db2.gz LROZOHPKAMFRAN-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223523493 571493618 /nfs/dbraw/zinc/49/36/18/571493618.db2.gz LROZOHPKAMFRAN-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)NN(c1nc3ccccc3s1)C2=O ZINC000150433041 571494544 /nfs/dbraw/zinc/49/45/44/571494544.db2.gz CICQTGKGTNFTLK-LJAQVGFWSA-N 0 0 643.556 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224201955 571495392 /nfs/dbraw/zinc/49/53/92/571495392.db2.gz DMALMLDAPCLXNU-IZZNHLLZSA-N 0 0 506.597 6.993 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205588 571496436 /nfs/dbraw/zinc/49/64/36/571496436.db2.gz RYUUIYSCJFDVRO-LOYHVIPDSA-N 0 0 509.723 6.821 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224207709 571496958 /nfs/dbraw/zinc/49/69/58/571496958.db2.gz XJOIDJPPXAJGNZ-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)SC2=S)cc1 ZINC000150438483 571497016 /nfs/dbraw/zinc/49/70/16/571497016.db2.gz BRIYJPHSYBWYQX-MFKUBSTISA-N 0 0 641.406 8.358 40 10 KKCBRN O=C(C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S)Nc1ccc(Cl)cc1 ZINC000150445499 571500599 /nfs/dbraw/zinc/50/05/99/571500599.db2.gz LNETUYYDVNOIAD-CAZGRJGDSA-N 0 0 691.445 8.798 40 10 KKCBRN CCOC(=O)[C@@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000150446289 571500938 /nfs/dbraw/zinc/50/09/38/571500938.db2.gz SRXMTNHDVLXGNN-WJOKGBTCSA-N 0 0 634.776 6.051 40 10 KKCBRN CC(/C=C1/SC(=S)N(CCC(=O)NCCN2CCN(C(=O)CN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O)=C\c1ccccc1 ZINC000150447570 571501512 /nfs/dbraw/zinc/50/15/12/571501512.db2.gz DBHDHPUPBICKLG-BPGHOMNMSA-N 0 0 746.018 5.332 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224234078 571502855 /nfs/dbraw/zinc/50/28/55/571502855.db2.gz PSGGKOHUUDCCBZ-CLJLJLNGSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224236196 571503504 /nfs/dbraw/zinc/50/35/04/571503504.db2.gz WQBAHWQHGVRJSS-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223567210 571503635 /nfs/dbraw/zinc/50/36/35/571503635.db2.gz UWAUZVWLXDKWNO-ICODJCHTSA-N 0 0 556.526 6.625 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223567337 571503687 /nfs/dbraw/zinc/50/36/87/571503687.db2.gz NKFBEFHBCLZCSZ-YNJLWJOVSA-N 0 0 507.656 5.871 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1C ZINC000223567610 571503702 /nfs/dbraw/zinc/50/37/02/571503702.db2.gz UXZFNEGXQAMLIY-FQOPDIHJSA-N 0 0 505.684 6.479 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224238018 571504122 /nfs/dbraw/zinc/50/41/22/571504122.db2.gz UVLYYUODLTZOKZ-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237847 571504125 /nfs/dbraw/zinc/50/41/25/571504125.db2.gz RIXCDTIQKCMKGN-LOYHVIPDSA-N 0 0 509.723 6.821 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224239871 571504347 /nfs/dbraw/zinc/50/43/47/571504347.db2.gz FCNPDZCDJQQTDD-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240450 571504452 /nfs/dbraw/zinc/50/44/52/571504452.db2.gz DQEMOZZKDDUXJX-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150466982 571508120 /nfs/dbraw/zinc/50/81/20/571508120.db2.gz AUBSREKJPILNPZ-APSNUPSMSA-N 0 0 635.197 6.213 40 10 KKCBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000224259038 571508280 /nfs/dbraw/zinc/50/82/80/571508280.db2.gz BHNRBYULZZTXJR-SVBPBHIXSA-N 0 0 503.115 7.161 40 10 KKCBRN CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N(CC)Cc3ccccc3)C2=O)SC1=S ZINC000150469863 571508961 /nfs/dbraw/zinc/50/89/61/571508961.db2.gz OBSPLSJRJCSECJ-BYYHNAKLSA-N 0 0 668.932 5.576 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(C(=O)OCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150470036 571509167 /nfs/dbraw/zinc/50/91/67/571509167.db2.gz NENWUEHGNOVCKY-JEIPZWNWSA-N 0 0 841.112 8.231 40 10 KKCBRN CC1CCN(C(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)N4CCC(C)CC4)C3=O)SC2=S)CC1 ZINC000150470074 571509178 /nfs/dbraw/zinc/50/91/78/571509178.db2.gz LWWJNIFZUVGPHU-OCEACIFDSA-N 0 0 652.974 5.556 40 10 KKCBRN CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(OCC)cc4)C3=O)SC2=S)cc1 ZINC000150470040 571509238 /nfs/dbraw/zinc/50/92/38/571509238.db2.gz SIHSCQULCUCEIK-QVIHXGFCSA-N 0 0 728.984 7.114 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000150481144 571512449 /nfs/dbraw/zinc/51/24/49/571512449.db2.gz DRCVEPPPGSCTMY-VUTHCHCSSA-N 0 0 647.525 8.082 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000150481184 571512455 /nfs/dbraw/zinc/51/24/55/571512455.db2.gz NLSPKDJVEHJKPW-VUTHCHCSSA-N 0 0 694.525 7.924 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1 ZINC000224285966 571513565 /nfs/dbraw/zinc/51/35/65/571513565.db2.gz RAWINHJOARJURR-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224294806 571515513 /nfs/dbraw/zinc/51/55/13/571515513.db2.gz SCWUMRWWUSUNGW-SXOMAYOGSA-N 0 0 503.071 6.642 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)O2)cc1 ZINC000150489425 571516914 /nfs/dbraw/zinc/51/69/14/571516914.db2.gz XWPYYHLRROVVJO-YBFXNURJSA-N 0 0 636.223 6.465 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224302343 571517495 /nfs/dbraw/zinc/51/74/95/571517495.db2.gz KPXQRECWBOYMIO-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224304384 571517876 /nfs/dbraw/zinc/51/78/76/571517876.db2.gz AKVDONFVFWBZCE-KAYWLYCHSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307744 571518607 /nfs/dbraw/zinc/51/86/07/571518607.db2.gz MQCXRMAPVKHBPL-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223650856 571520728 /nfs/dbraw/zinc/52/07/28/571520728.db2.gz XNBOUOHNDAMXNB-PKTZIBPZSA-N 0 0 502.562 5.044 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1 ZINC000224320930 571521367 /nfs/dbraw/zinc/52/13/67/571521367.db2.gz JHHYPKLUJVSBSG-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1 ZINC000224321062 571521554 /nfs/dbraw/zinc/52/15/54/571521554.db2.gz JHHYPKLUJVSBSG-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000224333238 571523815 /nfs/dbraw/zinc/52/38/15/571523815.db2.gz WSUSQBYYXOENOS-CONSDPRKSA-N 0 0 502.687 7.382 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000224334616 571524323 /nfs/dbraw/zinc/52/43/23/571524323.db2.gz RNKHXVWHYWAPII-RRPNLBNLSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000224336764 571524926 /nfs/dbraw/zinc/52/49/26/571524926.db2.gz FYVNGLVGTLLWBC-KAYWLYCHSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000224338528 571525374 /nfs/dbraw/zinc/52/53/74/571525374.db2.gz DZBLILKTAKLYIB-SXOMAYOGSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000224338714 571525450 /nfs/dbraw/zinc/52/54/50/571525450.db2.gz AJPJLECVDPJLHF-SXOMAYOGSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000224341195 571525985 /nfs/dbraw/zinc/52/59/85/571525985.db2.gz UJRJIDOCRKUQTQ-IZLXSDGUSA-N 0 0 527.650 6.145 40 10 KKCBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662098 571527598 /nfs/dbraw/zinc/52/75/98/571527598.db2.gz KBYILHOJMPSPJO-NEKWVUEWSA-N 0 0 678.954 11.182 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223691768 571527924 /nfs/dbraw/zinc/52/79/24/571527924.db2.gz IWGIBQGLTJPPKJ-PKTZIBPZSA-N 0 0 503.455 5.332 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224357947 571529254 /nfs/dbraw/zinc/52/92/54/571529254.db2.gz IEPCKBUHNXTAAY-ZWXJPIIXSA-N 0 0 551.760 6.626 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224362093 571530093 /nfs/dbraw/zinc/53/00/93/571530093.db2.gz ADVHZMKUBSRIBB-VSGBNLITSA-N 0 0 517.098 7.149 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224365088 571530807 /nfs/dbraw/zinc/53/08/07/571530807.db2.gz SVVWGKUEHDPDDC-ROJLCIKYSA-N 0 0 516.714 7.943 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224366519 571531044 /nfs/dbraw/zinc/53/10/44/571531044.db2.gz FLPJUTRVZRIWNA-IZLXSDGUSA-N 0 0 534.651 7.808 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223712242 571531247 /nfs/dbraw/zinc/53/12/47/571531247.db2.gz ZHOSRILYXRPUOH-BJKOFHAPSA-N 0 0 516.589 5.434 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224372062 571532298 /nfs/dbraw/zinc/53/22/98/571532298.db2.gz ATHFIDXTHUDQOW-WDYNHAJCSA-N 0 0 515.126 7.751 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224372099 571532332 /nfs/dbraw/zinc/53/23/32/571532332.db2.gz ATHFIDXTHUDQOW-URLMMPGGSA-N 0 0 515.126 7.751 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223723528 571532992 /nfs/dbraw/zinc/53/29/92/571532992.db2.gz WQNYIJLGZBKFSN-DNQXCXABSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000223723658 571533007 /nfs/dbraw/zinc/53/30/07/571533007.db2.gz FPRNETUDUARXIN-BJKOFHAPSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223723773 571533043 /nfs/dbraw/zinc/53/30/43/571533043.db2.gz BVLJDVQMUPBDOZ-ZEQRLZLVSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223725894 571533385 /nfs/dbraw/zinc/53/33/85/571533385.db2.gz LYXVMLYFIMVJIC-BJKOFHAPSA-N 0 0 517.482 5.722 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000163232378 571533825 /nfs/dbraw/zinc/53/38/25/571533825.db2.gz NFKXXTCNGQHCMB-MRWVFDTMSA-N 0 0 671.458 7.251 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000223728399 571533951 /nfs/dbraw/zinc/53/39/51/571533951.db2.gz DPIZFUDHJFXUQU-JWQCQUIFSA-N 0 0 513.063 5.077 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224385962 571535442 /nfs/dbraw/zinc/53/54/42/571535442.db2.gz AIUOVNZIARGSAA-FQLXRVMXSA-N 0 0 524.690 6.576 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163553565 571536644 /nfs/dbraw/zinc/53/66/44/571536644.db2.gz CFAPFAZCVHHLJK-CCORILLZSA-N 0 0 630.116 6.275 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000163571169 571536849 /nfs/dbraw/zinc/53/68/49/571536849.db2.gz XTFFLJMODMUEME-UHSYMONFSA-N 0 0 655.651 7.712 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000163592819 571537230 /nfs/dbraw/zinc/53/72/30/571537230.db2.gz LQAWTCZHIJLGHP-FJNIOPPGSA-N 0 0 711.622 5.526 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223747786 571537319 /nfs/dbraw/zinc/53/73/19/571537319.db2.gz BTGSTVHTRLMMMP-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223753264 571538396 /nfs/dbraw/zinc/53/83/96/571538396.db2.gz YZFXRAMYISEYEC-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402491 571538472 /nfs/dbraw/zinc/53/84/72/571538472.db2.gz ILPYHTPTCQKIHZ-VMPREFPWSA-N 0 0 513.686 6.652 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224402831 571538493 /nfs/dbraw/zinc/53/84/93/571538493.db2.gz KLYVVQJTDYVMCV-LOSJGSFVSA-N 0 0 511.453 7.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224402608 571538559 /nfs/dbraw/zinc/53/85/59/571538559.db2.gz POTAQSPFSADLOZ-RPBOFIJWSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224404386 571538964 /nfs/dbraw/zinc/53/89/64/571538964.db2.gz JHMPDWLJLVXHDK-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405026 571539056 /nfs/dbraw/zinc/53/90/56/571539056.db2.gz NQLWXMBATQWREQ-CLJLJLNGSA-N 0 0 507.034 6.467 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763242 571540102 /nfs/dbraw/zinc/54/01/02/571540102.db2.gz ULHBZEPINZQVSJ-KYJUHHDHSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223766374 571540644 /nfs/dbraw/zinc/54/06/44/571540644.db2.gz ACKIGKIPAXOHRR-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163725248 571541824 /nfs/dbraw/zinc/54/18/24/571541824.db2.gz AFZXKNFMEGMZRQ-SBMAJXEMSA-N 0 0 664.831 6.989 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000224431778 571544522 /nfs/dbraw/zinc/54/45/22/571544522.db2.gz ULVDFXOQPLUMDN-LOSJGSFVSA-N 0 0 510.560 6.824 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000164207557 571545137 /nfs/dbraw/zinc/54/51/37/571545137.db2.gz CQLAPEKYSZUYLY-GWRYVSOYSA-N 0 0 638.161 5.796 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435559 571545286 /nfs/dbraw/zinc/54/52/86/571545286.db2.gz NDRBXWQWZUGREW-URLMMPGGSA-N 0 0 513.686 6.652 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223797461 571545713 /nfs/dbraw/zinc/54/57/13/571545713.db2.gz NOKUBPMYAHMZKQ-KAYWLYCHSA-N 0 0 503.071 6.718 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000164422737 571547533 /nfs/dbraw/zinc/54/75/33/571547533.db2.gz PGVINARYHYBOCI-CKWSZQMZSA-N 0 0 644.687 8.611 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000164518233 571549071 /nfs/dbraw/zinc/54/90/71/571549071.db2.gz SMNUMILRNXBBGZ-CBPRFPNYSA-N 0 0 638.587 6.106 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000164652920 571550396 /nfs/dbraw/zinc/55/03/96/571550396.db2.gz GWNFKUVCTNSHQV-YIECNSLDSA-N 0 0 634.596 5.594 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164816377 571551254 /nfs/dbraw/zinc/55/12/54/571551254.db2.gz HLFSDMIEEWTKPU-UHFFFAOYSA-N 0 0 676.032 8.445 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164810381 571551267 /nfs/dbraw/zinc/55/12/67/571551267.db2.gz VAJFZHXTNKYDKH-UHFFFAOYSA-N 0 0 703.489 6.987 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224468632 571553025 /nfs/dbraw/zinc/55/30/25/571553025.db2.gz ZSYGXUBAPIQPCS-CLJLJLNGSA-N 0 0 503.027 6.048 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470012 571553321 /nfs/dbraw/zinc/55/33/21/571553321.db2.gz DWJPWJCTBWMLLD-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224481776 571556307 /nfs/dbraw/zinc/55/63/07/571556307.db2.gz LXXBCCCLOBSYOC-FTJBHMTQSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223822077 571556355 /nfs/dbraw/zinc/55/63/55/571556355.db2.gz YGFLVBDPTQNTGS-DGPALRBDSA-N 0 0 510.707 6.990 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223822969 571556509 /nfs/dbraw/zinc/55/65/09/571556509.db2.gz GZSLHWNEADYISF-VSGBNLITSA-N 0 0 543.649 5.982 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000224493748 571559529 /nfs/dbraw/zinc/55/95/29/571559529.db2.gz VHGNKVJSLDWWSQ-RPBOFIJWSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(F)c1 ZINC000224495290 571560029 /nfs/dbraw/zinc/56/00/29/571560029.db2.gz VIXLCGSWTXDFKU-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224495975 571560049 /nfs/dbraw/zinc/56/00/49/571560049.db2.gz ITDZYNIDRWEYSX-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224496475 571560161 /nfs/dbraw/zinc/56/01/61/571560161.db2.gz VURPEBRVPOOILR-JWQCQUIFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1O ZINC000224497023 571560489 /nfs/dbraw/zinc/56/04/89/571560489.db2.gz PXYMLGVVRPUHID-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224497275 571560497 /nfs/dbraw/zinc/56/04/97/571560497.db2.gz MEJRCWYUYYTDEP-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224497550 571560558 /nfs/dbraw/zinc/56/05/58/571560558.db2.gz XOXRYPOAHGVXRI-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224497505 571560638 /nfs/dbraw/zinc/56/06/38/571560638.db2.gz XOXRYPOAHGVXRI-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224498702 571560884 /nfs/dbraw/zinc/56/08/84/571560884.db2.gz IJFCFLYLUVBGRR-JWQCQUIFSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224498368 571560890 /nfs/dbraw/zinc/56/08/90/571560890.db2.gz SYMITRKOLSOGHI-RRPNLBNLSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224499351 571561120 /nfs/dbraw/zinc/56/11/20/571561120.db2.gz ANHLIUINDLQOQM-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cccc1C ZINC000224499707 571561251 /nfs/dbraw/zinc/56/12/51/571561251.db2.gz XBLROHXKWNSXEH-BDYUSTAISA-N 0 0 531.523 7.046 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501026 571561488 /nfs/dbraw/zinc/56/14/88/571561488.db2.gz OJYCRWPERQVXNQ-CLJLJLNGSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224501460 571561659 /nfs/dbraw/zinc/56/16/59/571561659.db2.gz YXKWSZVWIALWLN-CLJLJLNGSA-N 0 0 551.941 7.391 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502433 571561810 /nfs/dbraw/zinc/56/18/10/571561810.db2.gz VVNQABQGNKQQLQ-XCZPVHLTSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223858860 571563028 /nfs/dbraw/zinc/56/30/28/571563028.db2.gz OTKDQCZKAYBDMP-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223863447 571563905 /nfs/dbraw/zinc/56/39/05/571563905.db2.gz AOOJBGPWKKATCE-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864484 571564054 /nfs/dbraw/zinc/56/40/54/571564054.db2.gz HZLLCHYHEGKSKX-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864632 571564074 /nfs/dbraw/zinc/56/40/74/571564074.db2.gz VPIMVCODNVOXJS-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224515516 571564256 /nfs/dbraw/zinc/56/42/56/571564256.db2.gz UKRVKKGDBTWBPK-FTJBHMTQSA-N 0 0 561.505 6.215 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224515987 571564446 /nfs/dbraw/zinc/56/44/46/571564446.db2.gz QRWSVMJOAXQSDQ-IZZNHLLZSA-N 0 0 561.505 6.215 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21 ZINC000223886211 571568334 /nfs/dbraw/zinc/56/83/34/571568334.db2.gz QKWMVUYVKGEQNO-KAYWLYCHSA-N 0 0 518.130 6.610 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224537750 571569386 /nfs/dbraw/zinc/56/93/86/571569386.db2.gz LHCCQORBILFZFA-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223893118 571569486 /nfs/dbraw/zinc/56/94/86/571569486.db2.gz UXRXNWMZHCETRN-CONSDPRKSA-N 0 0 517.702 6.885 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223896128 571570035 /nfs/dbraw/zinc/57/00/35/571570035.db2.gz SLGXRWFOXZNLSS-KAYWLYCHSA-N 0 0 502.087 6.386 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000205772632 571570986 /nfs/dbraw/zinc/57/09/86/571570986.db2.gz DRMWWTLTTLAPOT-UFFVCSGVSA-N 0 0 523.438 5.628 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(I)cc2)C1=O ZINC000205775743 571571016 /nfs/dbraw/zinc/57/10/16/571571016.db2.gz OCISKDYHMPSGME-DEDYPNTBSA-N 0 0 504.393 5.436 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902895 571571611 /nfs/dbraw/zinc/57/16/11/571571611.db2.gz ZPVLBOZFYMGSMY-DGPALRBDSA-N 0 0 509.723 6.603 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000224555752 571573478 /nfs/dbraw/zinc/57/34/78/571573478.db2.gz DGNLJFZVTTVHMG-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000224556017 571573557 /nfs/dbraw/zinc/57/35/57/571573557.db2.gz FZSSSECGFJIFRO-IHLOFXLRSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000224556118 571573680 /nfs/dbraw/zinc/57/36/80/571573680.db2.gz FZSSSECGFJIFRO-LOYHVIPDSA-N 0 0 539.705 5.511 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208531491 571574691 /nfs/dbraw/zinc/57/46/91/571574691.db2.gz JKBBUSOQEWFCJN-FMCGGJTJSA-N 0 0 510.059 6.345 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208659392 571574781 /nfs/dbraw/zinc/57/47/81/571574781.db2.gz ZDBLOCMHNVCTRK-MTJSOVHGSA-N 0 0 611.885 7.077 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208664420 571574820 /nfs/dbraw/zinc/57/48/20/571574820.db2.gz ZZEQYRMRXKRIPU-NHDPSOOVSA-N 0 0 564.288 7.426 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000208661490 571574824 /nfs/dbraw/zinc/57/48/24/571574824.db2.gz BKEFNLJCVJDJAL-XKZIYDEJSA-N 0 0 560.466 6.590 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1 ZINC000223917060 571574967 /nfs/dbraw/zinc/57/49/67/571574967.db2.gz XXTURINWFJQULA-IZLXSDGUSA-N 0 0 525.678 5.519 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1 ZINC000223917145 571575003 /nfs/dbraw/zinc/57/50/03/571575003.db2.gz XXTURINWFJQULA-NSOVKSMOSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208721337 571575101 /nfs/dbraw/zinc/57/51/01/571575101.db2.gz WPZALFFKUJDDDY-MYYYXRDXSA-N 0 0 596.955 8.249 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000224564161 571575667 /nfs/dbraw/zinc/57/56/67/571575667.db2.gz ODCKOOJUFXKDAT-IHLOFXLRSA-N 0 0 504.659 6.828 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223921584 571575785 /nfs/dbraw/zinc/57/57/85/571575785.db2.gz FFFMPENVIFEAON-SAIUNTKASA-N 0 0 594.785 5.339 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000224570357 571576917 /nfs/dbraw/zinc/57/69/17/571576917.db2.gz IKGYDBCHSYODEZ-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223926699 571576941 /nfs/dbraw/zinc/57/69/41/571576941.db2.gz TVZVZSGLWUNCEE-VMPREFPWSA-N 0 0 560.123 5.862 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224572395 571577508 /nfs/dbraw/zinc/57/75/08/571577508.db2.gz GXOOHCQZKWTWSS-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224572246 571577514 /nfs/dbraw/zinc/57/75/14/571577514.db2.gz GXOOHCQZKWTWSS-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C ZINC000223931396 571577800 /nfs/dbraw/zinc/57/78/00/571577800.db2.gz GVASQPABYYJEMW-XZWHSSHBSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000223933169 571578124 /nfs/dbraw/zinc/57/81/24/571578124.db2.gz NOQRRFSEUXIUFX-VMPREFPWSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000223933581 571578270 /nfs/dbraw/zinc/57/82/70/571578270.db2.gz QPATWKOXXUWIHT-URLMMPGGSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000223935390 571578607 /nfs/dbraw/zinc/57/86/07/571578607.db2.gz YJQPPGUHWYSPNR-VMPREFPWSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223936758 571578867 /nfs/dbraw/zinc/57/88/67/571578867.db2.gz SGOAXYSGDOFVGB-IOWSJCHKSA-N 0 0 552.748 5.569 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000223937718 571579164 /nfs/dbraw/zinc/57/91/64/571579164.db2.gz OWQAUEBIJTYXRQ-JSOSNVBQSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223938730 571579318 /nfs/dbraw/zinc/57/93/18/571579318.db2.gz QQSZNXSAMRYBSU-IHLOFXLRSA-N 0 0 553.688 5.232 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223939264 571579460 /nfs/dbraw/zinc/57/94/60/571579460.db2.gz FQKLQSMMQXSRHL-XZWHSSHBSA-N 0 0 558.151 6.465 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223939741 571579599 /nfs/dbraw/zinc/57/95/99/571579599.db2.gz REBFDMDIELTQKL-XZWHSSHBSA-N 0 0 584.702 5.420 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940383 571579730 /nfs/dbraw/zinc/57/97/30/571579730.db2.gz XGLLKLFJSRNMPZ-LOYHVIPDSA-N 0 0 574.150 6.165 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000214774862 571580919 /nfs/dbraw/zinc/58/09/19/571580919.db2.gz RBSQPBBVSVMPQN-CVKSISIWSA-N 0 0 541.500 7.655 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592430 571582146 /nfs/dbraw/zinc/58/21/46/571582146.db2.gz ZNMOILCAKVZCRW-FQLXRVMXSA-N 0 0 525.678 5.208 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223956353 571583305 /nfs/dbraw/zinc/58/33/05/571583305.db2.gz MZAPCBCIINWZAR-IHLOFXLRSA-N 0 0 567.715 5.289 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223956235 571583404 /nfs/dbraw/zinc/58/34/04/571583404.db2.gz OEAGFIRQMKGKLD-KYJUHHDHSA-N 0 0 567.715 5.289 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224604066 571584589 /nfs/dbraw/zinc/58/45/89/571584589.db2.gz MRLQQKFUNPHZMV-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606019 571585159 /nfs/dbraw/zinc/58/51/59/571585159.db2.gz MWYSEPPMWLJDEX-WDYNHAJCSA-N 0 0 511.695 6.218 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608244 571585681 /nfs/dbraw/zinc/58/56/81/571585681.db2.gz OAFLZWQUBWNXMR-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223971283 571586165 /nfs/dbraw/zinc/58/61/65/571586165.db2.gz HDHVJBSCVZSCCJ-FIRIVFDPSA-N 0 0 531.685 6.778 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223973104 571586567 /nfs/dbraw/zinc/58/65/67/571586567.db2.gz PBCNHSGKEJJUJB-WDYNHAJCSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223974541 571586855 /nfs/dbraw/zinc/58/68/55/571586855.db2.gz SGUOAPZOYIRELI-SXOMAYOGSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223975443 571587024 /nfs/dbraw/zinc/58/70/24/571587024.db2.gz VBZSUNKRDUYZFG-SXOMAYOGSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223975267 571587048 /nfs/dbraw/zinc/58/70/48/571587048.db2.gz PCGUNEUGSIVFMC-RRPNLBNLSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000223979060 571587836 /nfs/dbraw/zinc/58/78/36/571587836.db2.gz NGMOCYNGDJCUIF-WDYNHAJCSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223979485 571587891 /nfs/dbraw/zinc/58/78/91/571587891.db2.gz XKHFLEOJAZYLIB-JDXGNMNLSA-N 0 0 523.706 6.550 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981521 571588253 /nfs/dbraw/zinc/58/82/53/571588253.db2.gz IAJPFOGOPNPCCI-JDXGNMNLSA-N 0 0 523.706 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224626964 571589995 /nfs/dbraw/zinc/58/99/95/571589995.db2.gz BRDMIZXZZHGLNQ-IOWSJCHKSA-N 0 0 584.667 8.477 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224627057 571590009 /nfs/dbraw/zinc/59/00/09/571590009.db2.gz VUKFTHFTIATGOH-VSJLXWSYSA-N 0 0 601.776 7.295 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224631573 571591003 /nfs/dbraw/zinc/59/10/03/571591003.db2.gz DQWFIXKJMYRWNE-CONSDPRKSA-N 0 0 567.114 7.818 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000224635361 571591631 /nfs/dbraw/zinc/59/16/31/571591631.db2.gz ZSHLNBFXYVSVKW-CONSDPRKSA-N 0 0 516.670 7.459 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000224636590 571592000 /nfs/dbraw/zinc/59/20/00/571592000.db2.gz XBQUAHBEMVJSRR-JSOSNVBQSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224638074 571592356 /nfs/dbraw/zinc/59/23/56/571592356.db2.gz VKSBMBLLTMJVIY-FIRIVFDPSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224638431 571592548 /nfs/dbraw/zinc/59/25/48/571592548.db2.gz KMFLSFXIVBOZPR-FIRIVFDPSA-N 0 0 532.669 7.164 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224640199 571592944 /nfs/dbraw/zinc/59/29/44/571592944.db2.gz OOCGRSZHIMBFLB-CONSDPRKSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224640480 571592978 /nfs/dbraw/zinc/59/29/78/571592978.db2.gz MHJDUXZJPWIZRY-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224641354 571593138 /nfs/dbraw/zinc/59/31/38/571593138.db2.gz LUIHQALMJGIXPP-ZWXJPIIXSA-N 0 0 560.679 7.187 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224642232 571593348 /nfs/dbraw/zinc/59/33/48/571593348.db2.gz DPBWDUHYZDURSE-ZWXJPIIXSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224018704 571596261 /nfs/dbraw/zinc/59/62/61/571596261.db2.gz REYCSMNPVOHCHI-SXOMAYOGSA-N 0 0 512.591 5.124 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224019374 571596391 /nfs/dbraw/zinc/59/63/91/571596391.db2.gz KFVMFHBJVKTUGJ-SXOMAYOGSA-N 0 0 543.605 5.312 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1C ZINC000224019258 571596394 /nfs/dbraw/zinc/59/63/94/571596394.db2.gz NEICXTQVTFKNIP-SVBPBHIXSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020253 571596529 /nfs/dbraw/zinc/59/65/29/571596529.db2.gz ZFOGSAJOSUTBJS-KAYWLYCHSA-N 0 0 533.053 6.057 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000224661293 571597999 /nfs/dbraw/zinc/59/79/99/571597999.db2.gz LVOPEWVOQNFMHT-ZWXJPIIXSA-N 0 0 581.185 8.645 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1 ZINC000224668690 571599301 /nfs/dbraw/zinc/59/93/01/571599301.db2.gz DIESWRJVEDYQBF-AJQTZOPKSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224669503 571599349 /nfs/dbraw/zinc/59/93/49/571599349.db2.gz NZYRTJMRYCLVHG-AJQTZOPKSA-N 0 0 598.694 8.786 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224669649 571599538 /nfs/dbraw/zinc/59/95/38/571599538.db2.gz UGWRAPOBIGTZOW-NOCHOARKSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224670781 571599619 /nfs/dbraw/zinc/59/96/19/571599619.db2.gz NQSNBVRFJNGMLD-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224671401 571599838 /nfs/dbraw/zinc/59/98/38/571599838.db2.gz XIRGXWJVYXVYRJ-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673441 571600335 /nfs/dbraw/zinc/60/03/35/571600335.db2.gz OVBXXYZEHGKDKK-LQFQNGICSA-N 0 0 601.820 8.613 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676645 571601185 /nfs/dbraw/zinc/60/11/85/571601185.db2.gz JHBDDAXLULPTSH-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224676963 571601192 /nfs/dbraw/zinc/60/11/92/571601192.db2.gz IKKCHVFESCEFQH-ZWXJPIIXSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224050011 571602004 /nfs/dbraw/zinc/60/20/04/571602004.db2.gz UCVWHDRYYAKJAN-ROJLCIKYSA-N 0 0 583.157 7.498 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224050841 571602170 /nfs/dbraw/zinc/60/21/70/571602170.db2.gz GQWILRKVLOFMJD-WDYNHAJCSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224051022 571602315 /nfs/dbraw/zinc/60/23/15/571602315.db2.gz WYXFOKTULUEMRV-VMPREFPWSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224051659 571602369 /nfs/dbraw/zinc/60/23/69/571602369.db2.gz UUOXZBLHYYYMEZ-VSGBNLITSA-N 0 0 601.094 7.364 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224051867 571602371 /nfs/dbraw/zinc/60/23/71/571602371.db2.gz KHQOGORLAOMNFY-XZWHSSHBSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224054465 571602956 /nfs/dbraw/zinc/60/29/56/571602956.db2.gz BUBCNLWDIGQNGZ-WUFINQPMSA-N 0 0 549.096 6.050 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccn1 ZINC000224696921 571606245 /nfs/dbraw/zinc/60/62/45/571606245.db2.gz PPRDXSZZCOUYIS-CONSDPRKSA-N 0 0 531.685 7.162 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000224074633 571606724 /nfs/dbraw/zinc/60/67/24/571606724.db2.gz STZKZZSVVWHIDG-IZLXSDGUSA-N 0 0 549.096 6.045 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1 ZINC000224702755 571606775 /nfs/dbraw/zinc/60/67/75/571606775.db2.gz VQXNFVSQJOHRSS-ZWXJPIIXSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224703327 571606861 /nfs/dbraw/zinc/60/68/61/571606861.db2.gz HPDXTQJKEPCPHZ-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224703989 571606918 /nfs/dbraw/zinc/60/69/18/571606918.db2.gz WPDVHCITNSYFFG-NOCHOARKSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224704911 571606969 /nfs/dbraw/zinc/60/69/69/571606969.db2.gz VEIVVEDRQOIHTA-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224079885 571607178 /nfs/dbraw/zinc/60/71/78/571607178.db2.gz DTOLXXDMSBJKGY-FQLXRVMXSA-N 0 0 591.703 7.588 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707755 571607273 /nfs/dbraw/zinc/60/72/73/571607273.db2.gz ACXVVCRZNAHBIG-ZPGRZCPFSA-N 0 0 601.820 8.613 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ncccc1C ZINC000224711335 571608116 /nfs/dbraw/zinc/60/81/16/571608116.db2.gz UXIVVEJIHQJQIP-JSOSNVBQSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224090107 571608537 /nfs/dbraw/zinc/60/85/37/571608537.db2.gz BVCMUVGYGMRQNN-IHLOFXLRSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224091751 571608774 /nfs/dbraw/zinc/60/87/74/571608774.db2.gz RXYDLABUEBXGDS-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224092121 571608785 /nfs/dbraw/zinc/60/87/85/571608785.db2.gz MLVYLHLIROHODO-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224094643 571609161 /nfs/dbraw/zinc/60/91/61/571609161.db2.gz VNDGOOPXOOEYKL-FIRIVFDPSA-N 0 0 566.775 6.635 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224097263 571609602 /nfs/dbraw/zinc/60/96/02/571609602.db2.gz BPRVGPAHBLUPOG-IHLOFXLRSA-N 0 0 598.729 6.486 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224097320 571609605 /nfs/dbraw/zinc/60/96/05/571609605.db2.gz BPRVGPAHBLUPOG-XZWHSSHBSA-N 0 0 598.729 6.486 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098154 571609683 /nfs/dbraw/zinc/60/96/83/571609683.db2.gz ZMPDOWBWUOQIPO-LOYHVIPDSA-N 0 0 588.177 7.231 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224099446 571609854 /nfs/dbraw/zinc/60/98/54/571609854.db2.gz UKDUOZPNRGRWFX-URLMMPGGSA-N 0 0 538.721 6.273 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224724248 571611028 /nfs/dbraw/zinc/61/10/28/571611028.db2.gz DZZOLGJLOYRBTD-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224113705 571611476 /nfs/dbraw/zinc/61/14/76/571611476.db2.gz FUNVLYRBTUOMPD-LOYHVIPDSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4O)c3C)cc2)cc1 ZINC000224733064 571612223 /nfs/dbraw/zinc/61/22/23/571612223.db2.gz PPIBWSOAVWSAPG-ZWXJPIIXSA-N 0 0 597.140 7.826 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)cc1 ZINC000224737742 571612550 /nfs/dbraw/zinc/61/25/50/571612550.db2.gz GZJJOLODTZOIOB-ZWXJPIIXSA-N 0 0 614.693 8.486 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224738121 571612606 /nfs/dbraw/zinc/61/26/06/571612606.db2.gz BGYSEHXQUKPRKC-NOCHOARKSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2)cc1 ZINC000224743170 571612964 /nfs/dbraw/zinc/61/29/64/571612964.db2.gz CRNGXHODOHDUJM-SZAHLOSFSA-N 0 0 574.750 8.084 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224767311 571615194 /nfs/dbraw/zinc/61/51/94/571615194.db2.gz QRZZZHDZRWSALM-JSOSNVBQSA-N 0 0 628.179 8.085 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224767268 571615207 /nfs/dbraw/zinc/61/52/07/571615207.db2.gz QRZZZHDZRWSALM-FIRIVFDPSA-N 0 0 628.179 8.085 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224771902 571615649 /nfs/dbraw/zinc/61/56/49/571615649.db2.gz FZCMNQLVWGIURY-FIRIVFDPSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1F ZINC000224772503 571615709 /nfs/dbraw/zinc/61/57/09/571615709.db2.gz REVIFEJXNAFNCY-FIRIVFDPSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224774287 571615835 /nfs/dbraw/zinc/61/58/35/571615835.db2.gz SBEZXBCAIAWHPL-CONSDPRKSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1O ZINC000224774504 571615852 /nfs/dbraw/zinc/61/58/52/571615852.db2.gz QEEFHHSXSUWCFA-CONSDPRKSA-N 0 0 593.734 7.431 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224774029 571615862 /nfs/dbraw/zinc/61/58/62/571615862.db2.gz WWKQSIOFFZISDP-IOWSJCHKSA-N 0 0 656.631 8.488 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224775107 571615904 /nfs/dbraw/zinc/61/59/04/571615904.db2.gz OIEAFJDNBNJNBQ-ACHIHNKUSA-N 0 0 607.761 7.734 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776104 571615981 /nfs/dbraw/zinc/61/59/81/571615981.db2.gz PODOVWRAFPLHQK-OIDHKYIRSA-N 0 0 648.858 8.572 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224777601 571616112 /nfs/dbraw/zinc/61/61/12/571616112.db2.gz AFEFOBVGQRFFNS-ZFEZZJPFSA-N 0 0 619.816 8.651 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224777103 571616130 /nfs/dbraw/zinc/61/61/30/571616130.db2.gz YAVWYOFGYHUTMK-CQTOTRCISA-N 0 0 605.789 8.342 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778800 571616234 /nfs/dbraw/zinc/61/62/34/571616234.db2.gz QWDSOILYGUWKOQ-ROJLCIKYSA-N 0 0 642.206 8.388 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224779439 571616264 /nfs/dbraw/zinc/61/62/64/571616264.db2.gz PDNPCCRJVARZGX-IOWSJCHKSA-N 0 0 592.750 7.429 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224779800 571616304 /nfs/dbraw/zinc/61/63/04/571616304.db2.gz AAWDVVBUFWOVTL-JSOSNVBQSA-N 0 0 592.750 7.429 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224791472 571617469 /nfs/dbraw/zinc/61/74/69/571617469.db2.gz UQTKCCGWQANFAZ-IOWSJCHKSA-N 0 0 593.734 7.426 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224791862 571617505 /nfs/dbraw/zinc/61/75/05/571617505.db2.gz BBMKYPCOOQYXAB-AJQTZOPKSA-N 0 0 635.771 7.512 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224792277 571617574 /nfs/dbraw/zinc/61/75/74/571617574.db2.gz UZWALIKQNXLYOG-ACHIHNKUSA-N 0 0 635.771 7.512 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224805707 571618773 /nfs/dbraw/zinc/61/87/73/571618773.db2.gz SJCSZXHWKOFREG-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224805481 571618778 /nfs/dbraw/zinc/61/87/78/571618778.db2.gz JLGPVFGWDAXDGN-FQLXRVMXSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000224806103 571618841 /nfs/dbraw/zinc/61/88/41/571618841.db2.gz NBRDXYPZLCJUJS-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1 ZINC000224806519 571618866 /nfs/dbraw/zinc/61/88/66/571618866.db2.gz UOBGFWPOSVDYSE-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c(OC)c1 ZINC000224807790 571618972 /nfs/dbraw/zinc/61/89/72/571618972.db2.gz RTYGHAGSERSEGH-SXOMAYOGSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c(OC)c1 ZINC000224810061 571619213 /nfs/dbraw/zinc/61/92/13/571619213.db2.gz CLKCOEAZCDGZFC-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(OC)c1 ZINC000224810941 571619327 /nfs/dbraw/zinc/61/93/27/571619327.db2.gz MROZECQZLWFBRI-NSOVKSMOSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c(OC)c1 ZINC000224812212 571619440 /nfs/dbraw/zinc/61/94/40/571619440.db2.gz AOEHCMAGGUZMID-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224824701 571620661 /nfs/dbraw/zinc/62/06/61/571620661.db2.gz BZJAXURVLQEMIR-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224828901 571621124 /nfs/dbraw/zinc/62/11/24/571621124.db2.gz FLZYQNKVRLVCDM-RRPNLBNLSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224837925 571622033 /nfs/dbraw/zinc/62/20/33/571622033.db2.gz QXZMIHAOLCUJPW-SXOMAYOGSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1 ZINC000224838558 571622086 /nfs/dbraw/zinc/62/20/86/571622086.db2.gz PQRSYMOSIDIWHO-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224838260 571622098 /nfs/dbraw/zinc/62/20/98/571622098.db2.gz LDNHABKALLTGIT-FQLXRVMXSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1 ZINC000224838799 571622131 /nfs/dbraw/zinc/62/21/31/571622131.db2.gz QVSKLEBFWQKDOX-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1 ZINC000224838676 571622153 /nfs/dbraw/zinc/62/21/53/571622153.db2.gz QVSKLEBFWQKDOX-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1 ZINC000224839190 571622172 /nfs/dbraw/zinc/62/21/72/571622172.db2.gz JHYNIGLWNXSIGH-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224840123 571622222 /nfs/dbraw/zinc/62/22/22/571622222.db2.gz JIQQIQBKHRDYGD-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000224841680 571622391 /nfs/dbraw/zinc/62/23/91/571622391.db2.gz WBZQDUMMWYGYJH-URLMMPGGSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000224841579 571622422 /nfs/dbraw/zinc/62/24/22/571622422.db2.gz WBZQDUMMWYGYJH-VMPREFPWSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1 ZINC000224842872 571622503 /nfs/dbraw/zinc/62/25/03/571622503.db2.gz JVFVACAZUFCCLD-XRKRLSELSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1 ZINC000224842832 571622527 /nfs/dbraw/zinc/62/25/27/571622527.db2.gz JVFVACAZUFCCLD-LMSSTIIKSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224843577 571622545 /nfs/dbraw/zinc/62/25/45/571622545.db2.gz OUBBSLVPPSXXFJ-IZLXSDGUSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1 ZINC000224843378 571622581 /nfs/dbraw/zinc/62/25/81/571622581.db2.gz CCDXJXHZVUNLOL-DGPALRBDSA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224844536 571622592 /nfs/dbraw/zinc/62/25/92/571622592.db2.gz NWPLZZYWMCIAAT-NSOVKSMOSA-N 0 0 549.096 6.345 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224856688 571623741 /nfs/dbraw/zinc/62/37/41/571623741.db2.gz IJXIXYUDPFVFHB-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860325 571624105 /nfs/dbraw/zinc/62/41/05/571624105.db2.gz XWDLURNTTHMAJU-JWQCQUIFSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871952 571625281 /nfs/dbraw/zinc/62/52/81/571625281.db2.gz YUBPWRKAUGHNHH-SXOMAYOGSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cc(C)cc1C ZINC000224873640 571625538 /nfs/dbraw/zinc/62/55/38/571625538.db2.gz QPYVFNCHJDYRGA-XCZPVHLTSA-N 0 0 517.098 6.951 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1C ZINC000224873742 571625546 /nfs/dbraw/zinc/62/55/46/571625546.db2.gz BZIMFUGSYJWNQT-FTJBHMTQSA-N 0 0 523.489 6.987 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224873967 571625597 /nfs/dbraw/zinc/62/55/97/571625597.db2.gz DXYSTJGKTYNWBR-IZZNHLLZSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874851 571625650 /nfs/dbraw/zinc/62/56/50/571625650.db2.gz PMDCVJDCLKMZHL-UIOOFZCWSA-N 0 0 550.040 5.942 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224886391 571626721 /nfs/dbraw/zinc/62/67/21/571626721.db2.gz LHULXARDKMHEDD-UIOOFZCWSA-N 0 0 533.053 5.812 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224886223 571626761 /nfs/dbraw/zinc/62/67/61/571626761.db2.gz ZBEVKFHVOQAOTK-UIOOFZCWSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224899718 571628063 /nfs/dbraw/zinc/62/80/63/571628063.db2.gz IMHDXCKAFIBBAK-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224900059 571628162 /nfs/dbraw/zinc/62/81/62/571628162.db2.gz XGTSSDFPMPFHHA-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224903238 571628378 /nfs/dbraw/zinc/62/83/78/571628378.db2.gz DUKRGHUKSVORHR-SVBPBHIXSA-N 0 0 505.062 7.076 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224903206 571628384 /nfs/dbraw/zinc/62/83/84/571628384.db2.gz DUKRGHUKSVORHR-RRPNLBNLSA-N 0 0 505.062 7.076 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224903539 571628461 /nfs/dbraw/zinc/62/84/61/571628461.db2.gz XOYAOJPGFKSYLY-RRPNLBNLSA-N 0 0 531.613 6.031 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904045 571628495 /nfs/dbraw/zinc/62/84/95/571628495.db2.gz SUUNDRRGZUDPDF-RRPNLBNLSA-N 0 0 521.061 6.776 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224919900 571629973 /nfs/dbraw/zinc/62/99/73/571629973.db2.gz SRSDQXJLUDQGQF-KYJUHHDHSA-N 0 0 602.602 6.574 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224928055 571630923 /nfs/dbraw/zinc/63/09/23/571630923.db2.gz WNEZUEVSKWUFQM-UIOOFZCWSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224928790 571630960 /nfs/dbraw/zinc/63/09/60/571630960.db2.gz NIEPBRUYARGFTQ-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224929505 571631058 /nfs/dbraw/zinc/63/10/58/571631058.db2.gz UMNYZIPKTDADFB-FTJBHMTQSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224931917 571631249 /nfs/dbraw/zinc/63/12/49/571631249.db2.gz LLERKOUIMFAXDQ-VSGBNLITSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224932980 571631345 /nfs/dbraw/zinc/63/13/45/571631345.db2.gz ALQZTHUQCUPJRU-SXOMAYOGSA-N 0 0 565.968 7.699 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224932844 571631369 /nfs/dbraw/zinc/63/13/69/571631369.db2.gz WPZUTICDQYHOGC-LMSSTIIKSA-N 0 0 559.577 7.662 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933236 571631426 /nfs/dbraw/zinc/63/14/26/571631426.db2.gz FNPIWGWCGCLUOC-SVBPBHIXSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934004 571631481 /nfs/dbraw/zinc/63/14/81/571631481.db2.gz ODBJAKYNSIULAC-KAYWLYCHSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224949502 571632978 /nfs/dbraw/zinc/63/29/78/571632978.db2.gz PEOGGZNYHWDTHP-LOYHVIPDSA-N 0 0 574.150 6.165 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224949424 571632991 /nfs/dbraw/zinc/63/29/91/571632991.db2.gz PEOGGZNYHWDTHP-IHLOFXLRSA-N 0 0 574.150 6.165 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000224950292 571633098 /nfs/dbraw/zinc/63/30/98/571633098.db2.gz UQYDDEDSZIYERY-UIOOFZCWSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224957404 571633697 /nfs/dbraw/zinc/63/36/97/571633697.db2.gz UXUZOORAYMBLLI-UIOOFZCWSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224958693 571633814 /nfs/dbraw/zinc/63/38/14/571633814.db2.gz NPJKHAJOTHGCIN-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224959487 571633919 /nfs/dbraw/zinc/63/39/19/571633919.db2.gz XXMLAOUBQQQMTN-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224959622 571633935 /nfs/dbraw/zinc/63/39/35/571633935.db2.gz KVJFVYFAZBIVGY-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224959994 571633981 /nfs/dbraw/zinc/63/39/81/571633981.db2.gz WQVOFGLELKYVMN-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960869 571634100 /nfs/dbraw/zinc/63/41/00/571634100.db2.gz KWHZAGNYQVHBLM-IHLOFXLRSA-N 0 0 560.167 7.174 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224974438 571635453 /nfs/dbraw/zinc/63/54/53/571635453.db2.gz MOKDSLZBCKVSNW-KAYWLYCHSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224980579 571635843 /nfs/dbraw/zinc/63/58/43/571635843.db2.gz NKZGXQBXPPSPLA-XZWHSSHBSA-N 0 0 557.167 6.951 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224982353 571636032 /nfs/dbraw/zinc/63/60/32/571636032.db2.gz VHEIXHCKKUIJFQ-CONSDPRKSA-N 0 0 606.623 7.915 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224985809 571636459 /nfs/dbraw/zinc/63/64/59/571636459.db2.gz LBZLANMVOWPJNG-ROJLCIKYSA-N 0 0 570.206 7.864 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224986375 571636489 /nfs/dbraw/zinc/63/64/89/571636489.db2.gz WWYHWQFKXBXHSQ-JHOUSYSJSA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224986631 571636532 /nfs/dbraw/zinc/63/65/32/571636532.db2.gz LEDDYBVGIOXTDU-FIRIVFDPSA-N 0 0 574.169 7.695 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000224988612 571636750 /nfs/dbraw/zinc/63/67/50/571636750.db2.gz JDJCXLLEGWXCSS-AJQTZOPKSA-N 0 0 586.205 7.565 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989578 571636843 /nfs/dbraw/zinc/63/68/43/571636843.db2.gz CIMZTTXDSFUCPH-GPOMZPHUSA-N 0 0 627.302 8.402 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224989971 571636897 /nfs/dbraw/zinc/63/68/97/571636897.db2.gz HHLLHWSZQAUTJL-CONSDPRKSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224990366 571636958 /nfs/dbraw/zinc/63/69/58/571636958.db2.gz RCFFQQSCRUHHLZ-ZQWAWDFXSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224990200 571636988 /nfs/dbraw/zinc/63/69/88/571636988.db2.gz OIABIVPQVJAXLM-CZNDPXEESA-N 0 0 584.233 8.173 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224991410 571637084 /nfs/dbraw/zinc/63/70/84/571637084.db2.gz FYBMSFXZFLOEAL-ZWXJPIIXSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224991537 571637133 /nfs/dbraw/zinc/63/71/33/571637133.db2.gz UHGGOAJFAUUKMW-ROJLCIKYSA-N 0 0 604.651 8.518 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992190 571637180 /nfs/dbraw/zinc/63/71/80/571637180.db2.gz WBJNMJVCNMMEMM-ZFEZZJPFSA-N 0 0 598.260 8.427 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225035216 571640937 /nfs/dbraw/zinc/64/09/37/571640937.db2.gz XREPKZKFXUQCEW-WUFINQPMSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225044150 571641569 /nfs/dbraw/zinc/64/15/69/571641569.db2.gz UECSJYDRRAPNMJ-IZLXSDGUSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225044187 571641582 /nfs/dbraw/zinc/64/15/82/571641582.db2.gz UECSJYDRRAPNMJ-WUFINQPMSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225044684 571641601 /nfs/dbraw/zinc/64/16/01/571641601.db2.gz WEDLDDXUEFQMSZ-WUFINQPMSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225044971 571641665 /nfs/dbraw/zinc/64/16/65/571641665.db2.gz HAQOQIDHSRLURK-IZLXSDGUSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225045055 571641678 /nfs/dbraw/zinc/64/16/78/571641678.db2.gz HAQOQIDHSRLURK-NSOVKSMOSA-N 0 0 560.565 6.726 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225045664 571641706 /nfs/dbraw/zinc/64/17/06/571641706.db2.gz DSMUYRPNJYVQRZ-URLMMPGGSA-N 0 0 511.695 5.972 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225045541 571641741 /nfs/dbraw/zinc/64/17/41/571641741.db2.gz WEFYPQCLXJYNTR-VMPREFPWSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225046932 571641860 /nfs/dbraw/zinc/64/18/60/571641860.db2.gz YJXNCFDESCGJJP-NSOVKSMOSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225047365 571641924 /nfs/dbraw/zinc/64/19/24/571641924.db2.gz RJNQTNKUXQADAL-DGPALRBDSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225047967 571642048 /nfs/dbraw/zinc/64/20/48/571642048.db2.gz WPGIEMGJHIEOLJ-SMCANUKXSA-N 0 0 523.750 6.889 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225048015 571642057 /nfs/dbraw/zinc/64/20/57/571642057.db2.gz RJAKRBPKKQDRHZ-FQLXRVMXSA-N 0 0 530.141 6.926 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225048473 571642066 /nfs/dbraw/zinc/64/20/66/571642066.db2.gz UJZVJXVKELDCMA-VMPREFPWSA-N 0 0 556.692 5.881 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225063969 571643452 /nfs/dbraw/zinc/64/34/52/571643452.db2.gz MRTAVDPBQAPYQJ-LQJZCPKCSA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225067972 571643762 /nfs/dbraw/zinc/64/37/62/571643762.db2.gz WIEFRQAGIVNVNW-SAIUNTKASA-N 0 0 624.166 7.043 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225072162 571644182 /nfs/dbraw/zinc/64/41/82/571644182.db2.gz BHTZMWXLDFDLPK-LQJZCPKCSA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000225073681 571644337 /nfs/dbraw/zinc/64/43/37/571644337.db2.gz YBFNCITXGMYRGV-JHOUSYSJSA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225073807 571644351 /nfs/dbraw/zinc/64/43/51/571644351.db2.gz ITHSLHUKHDMDPN-SAIUNTKASA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225076323 571644630 /nfs/dbraw/zinc/64/46/30/571644630.db2.gz GYEAQFQHWLUVAB-PXLJZGITSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225075970 571644654 /nfs/dbraw/zinc/64/46/54/571644654.db2.gz QAIBLTRZMBTJRD-LQJZCPKCSA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225076614 571644676 /nfs/dbraw/zinc/64/46/76/571644676.db2.gz WHRQRJQQPLAMQY-OIDHKYIRSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225076873 571644748 /nfs/dbraw/zinc/64/47/48/571644748.db2.gz FHCXOSOQEWPDPZ-QZCRLSDHSA-N 0 0 615.803 7.609 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078245 571644882 /nfs/dbraw/zinc/64/48/82/571644882.db2.gz BMTUCBFYHRUULD-VHFKIGOXSA-N 0 0 615.803 7.555 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225089131 571646241 /nfs/dbraw/zinc/64/62/41/571646241.db2.gz SBEQPNCYLHICNC-NOCHOARKSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225093027 571646602 /nfs/dbraw/zinc/64/66/02/571646602.db2.gz XMAHUKHAFTXWHV-FQLXRVMXSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)(C)C ZINC000225094062 571646654 /nfs/dbraw/zinc/64/66/54/571646654.db2.gz XEHCQYMIVPMFJQ-VMPREFPWSA-N 0 0 604.220 7.537 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225097127 571646876 /nfs/dbraw/zinc/64/68/76/571646876.db2.gz WQSAMEZNAHEEEY-FQLXRVMXSA-N 0 0 604.176 7.018 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101106 571647230 /nfs/dbraw/zinc/64/72/30/571647230.db2.gz HDDSHDKDSKQMFK-FQLXRVMXSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100861 571647247 /nfs/dbraw/zinc/64/72/47/571647247.db2.gz VIBDHNDGUYCIJT-IHLOFXLRSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101065 571647253 /nfs/dbraw/zinc/64/72/53/571647253.db2.gz HDDSHDKDSKQMFK-URLMMPGGSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100936 571647276 /nfs/dbraw/zinc/64/72/76/571647276.db2.gz VIBDHNDGUYCIJT-LOYHVIPDSA-N 0 0 567.759 6.968 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225101211 571647324 /nfs/dbraw/zinc/64/73/24/571647324.db2.gz CTESSJHBZBBPHW-JSOSNVBQSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102032 571647328 /nfs/dbraw/zinc/64/73/28/571647328.db2.gz LVPGEZUYUOPDKI-VMPREFPWSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102603 571647438 /nfs/dbraw/zinc/64/74/38/571647438.db2.gz RULVGFXSDIRLKL-URLMMPGGSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103077 571647457 /nfs/dbraw/zinc/64/74/57/571647457.db2.gz FJVZYFRTNWPWCX-WDYNHAJCSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105667 571647745 /nfs/dbraw/zinc/64/77/45/571647745.db2.gz UPBJXWLYBDDWBG-XZWHSSHBSA-N 0 0 597.741 6.388 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105765 571647774 /nfs/dbraw/zinc/64/77/74/571647774.db2.gz FUICUECGQDAEGZ-CDZUIXILSA-N 0 0 595.813 7.585 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106536 571647872 /nfs/dbraw/zinc/64/78/72/571647872.db2.gz NOOIZTYQUTYWCW-XZWHSSHBSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225106974 571647909 /nfs/dbraw/zinc/64/79/09/571647909.db2.gz WHSQUHBFGKJNTR-LOYHVIPDSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107494 571647976 /nfs/dbraw/zinc/64/79/76/571647976.db2.gz OMOLMVFDULAZGY-NSOVKSMOSA-N 0 0 568.747 6.363 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)cc1 ZINC000225118036 571649165 /nfs/dbraw/zinc/64/91/65/571649165.db2.gz BQEAIIGYAGMWMH-URLMMPGGSA-N 0 0 569.731 6.360 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225118473 571649241 /nfs/dbraw/zinc/64/92/41/571649241.db2.gz VGIQIUDBGOFBJA-IHLOFXLRSA-N 0 0 611.768 6.446 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225118440 571649249 /nfs/dbraw/zinc/64/92/49/571649249.db2.gz VGIQIUDBGOFBJA-LOYHVIPDSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000225124202 571649718 /nfs/dbraw/zinc/64/97/18/571649718.db2.gz NTOLNBDLQLWXNX-RRPNLBNLSA-N 0 0 545.112 6.309 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225125835 571649893 /nfs/dbraw/zinc/64/98/93/571649893.db2.gz WQNIDSGFWTYYRO-IZLXSDGUSA-N 0 0 594.568 7.273 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000225128580 571650042 /nfs/dbraw/zinc/65/00/42/571650042.db2.gz VOBICISRJUYTMQ-AJQTZOPKSA-N 0 0 594.184 8.067 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225129730 571650128 /nfs/dbraw/zinc/65/01/28/571650128.db2.gz ATFYXQGMXIYWSS-IZLXSDGUSA-N 0 0 612.121 7.933 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225129930 571650157 /nfs/dbraw/zinc/65/01/57/571650157.db2.gz OKIBEJUPIRDYEQ-XZWHSSHBSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225131589 571650272 /nfs/dbraw/zinc/65/02/72/571650272.db2.gz FSOVCUHPPDDERZ-NSOVKSMOSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000225131698 571650285 /nfs/dbraw/zinc/65/02/85/571650285.db2.gz DKRUGRLFBSGWOI-WUFINQPMSA-N 0 0 560.123 6.620 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000225131734 571650292 /nfs/dbraw/zinc/65/02/92/571650292.db2.gz DKRUGRLFBSGWOI-NSOVKSMOSA-N 0 0 560.123 6.620 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132237 571650358 /nfs/dbraw/zinc/65/03/58/571650358.db2.gz JGUFNBWWFWUTDO-VMPREFPWSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225132777 571650416 /nfs/dbraw/zinc/65/04/16/571650416.db2.gz SBKMGYQILOBKSB-LOYHVIPDSA-N 0 0 587.193 6.980 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225133279 571650423 /nfs/dbraw/zinc/65/04/23/571650423.db2.gz UHCUOJSHPXPXTG-VSGBNLITSA-N 0 0 613.014 8.221 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225133055 571650449 /nfs/dbraw/zinc/65/04/49/571650449.db2.gz KQUUSWACTJNYEO-ACHIHNKUSA-N 0 0 615.247 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000225133843 571650517 /nfs/dbraw/zinc/65/05/17/571650517.db2.gz PMEMZXMAZMHXJF-MFMCTBQISA-N 0 0 572.178 7.531 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135409 571650665 /nfs/dbraw/zinc/65/06/65/571650665.db2.gz AANBCNCXEQPJNX-WDYNHAJCSA-N 0 0 619.147 6.831 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000225135807 571650709 /nfs/dbraw/zinc/65/07/09/571650709.db2.gz HFWJVDXELTXZGV-KAYWLYCHSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)n1-c1ccccc1 ZINC000225145386 571651839 /nfs/dbraw/zinc/65/18/39/571651839.db2.gz MFDOWIZAEHBAAT-KAYWLYCHSA-N 0 0 530.097 6.606 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225146146 571651954 /nfs/dbraw/zinc/65/19/54/571651954.db2.gz VKXHCGQHUYWZRB-VMPREFPWSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000225150603 571652492 /nfs/dbraw/zinc/65/24/92/571652492.db2.gz VITVJWNDRVBHQG-WDYNHAJCSA-N 0 0 525.722 6.547 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225156621 571652989 /nfs/dbraw/zinc/65/29/89/571652989.db2.gz IKOSZURZUYUDAR-WDYNHAJCSA-N 0 0 509.679 6.323 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225157167 571653007 /nfs/dbraw/zinc/65/30/07/571653007.db2.gz VGNDRVCCSMRRGI-XZWHSSHBSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225156796 571653036 /nfs/dbraw/zinc/65/30/36/571653036.db2.gz PDHKVSZWZHOFMH-IHLOFXLRSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1C ZINC000225157670 571653063 /nfs/dbraw/zinc/65/30/63/571653063.db2.gz AROAOHVBWSRFAF-IOWSJCHKSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225158563 571653123 /nfs/dbraw/zinc/65/31/23/571653123.db2.gz RMHWUJVOMGOLNF-URLMMPGGSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225158211 571653125 /nfs/dbraw/zinc/65/31/25/571653125.db2.gz MBMYRCDMLYTLPF-URLMMPGGSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225159458 571653219 /nfs/dbraw/zinc/65/32/19/571653219.db2.gz UTZDYZJQHRFAQI-FQLXRVMXSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225160894 571653320 /nfs/dbraw/zinc/65/33/20/571653320.db2.gz AWZUTAAJPOTBDX-WDYNHAJCSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225160587 571653346 /nfs/dbraw/zinc/65/33/46/571653346.db2.gz LHLOSULIHOBJAF-IOWSJCHKSA-N 0 0 552.748 6.389 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225161079 571653377 /nfs/dbraw/zinc/65/33/77/571653377.db2.gz KKCRRPUWGCPXDK-WDYNHAJCSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225162223 571653486 /nfs/dbraw/zinc/65/34/86/571653486.db2.gz MRRPRTBVUCFMOB-XLJNKUFUSA-N 0 0 551.760 7.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000225186970 571655896 /nfs/dbraw/zinc/65/58/96/571655896.db2.gz VWRSTNYKQXFHEN-FQLXRVMXSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1OC ZINC000225187029 571655932 /nfs/dbraw/zinc/65/59/32/571655932.db2.gz KBMYQWYYEKTZON-VMPREFPWSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC ZINC000225189716 571656211 /nfs/dbraw/zinc/65/62/11/571656211.db2.gz APUHCRFYVVQVPM-FIRIVFDPSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC ZINC000225190059 571656231 /nfs/dbraw/zinc/65/62/31/571656231.db2.gz IJUYMDCJQVOORS-FIRIVFDPSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OC ZINC000225190195 571656249 /nfs/dbraw/zinc/65/62/49/571656249.db2.gz XAORHLWASPRSPQ-XZWHSSHBSA-N 0 0 569.687 5.752 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1OC ZINC000225190419 571656311 /nfs/dbraw/zinc/65/63/11/571656311.db2.gz KBDGKWDOLMMASX-XLJNKUFUSA-N 0 0 567.759 6.949 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1OC ZINC000225191707 571656376 /nfs/dbraw/zinc/65/63/76/571656376.db2.gz NXKNIGFNYXPDPE-CDZUIXILSA-N 0 0 567.759 6.894 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1OC ZINC000225191351 571656395 /nfs/dbraw/zinc/65/63/95/571656395.db2.gz IQWDWYUYUQQPEI-KYJUHHDHSA-N 0 0 590.149 6.685 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1OC ZINC000225191966 571656461 /nfs/dbraw/zinc/65/64/61/571656461.db2.gz FXRHVEXAOIWJFQ-URLMMPGGSA-N 0 0 540.693 5.727 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000225206210 571657861 /nfs/dbraw/zinc/65/78/61/571657861.db2.gz DOASOXIOWXIHSR-ACHIHNKUSA-N 0 0 596.757 5.088 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000225206329 571657921 /nfs/dbraw/zinc/65/79/21/571657921.db2.gz DOASOXIOWXIHSR-ROJLCIKYSA-N 0 0 596.757 5.088 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000225212781 571658449 /nfs/dbraw/zinc/65/84/49/571658449.db2.gz CMBNJIWGHRTHQB-AJQTZOPKSA-N 0 0 561.711 6.404 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000225212701 571658450 /nfs/dbraw/zinc/65/84/50/571658450.db2.gz CMBNJIWGHRTHQB-ACHIHNKUSA-N 0 0 561.711 6.404 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000225213327 571658494 /nfs/dbraw/zinc/65/84/94/571658494.db2.gz RHUNMTDDMHOUTG-VSGBNLITSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000225214864 571658669 /nfs/dbraw/zinc/65/86/69/571658669.db2.gz MZUJMCJFYVPVBH-VSGBNLITSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000225214787 571658678 /nfs/dbraw/zinc/65/86/78/571658678.db2.gz MZUJMCJFYVPVBH-IZLXSDGUSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000225215600 571658760 /nfs/dbraw/zinc/65/87/60/571658760.db2.gz AULBBZPXCIUABE-NSOVKSMOSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000225217804 571659034 /nfs/dbraw/zinc/65/90/34/571659034.db2.gz CSCUHSXATKUUQK-VSGBNLITSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000225217898 571659041 /nfs/dbraw/zinc/65/90/41/571659041.db2.gz CVTBASQPXKJXCV-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000225219733 571659198 /nfs/dbraw/zinc/65/91/98/571659198.db2.gz UHARTUKQUZENQA-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000225219483 571659199 /nfs/dbraw/zinc/65/91/99/571659199.db2.gz JXMRNYRZQGEIFV-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000225230779 571660498 /nfs/dbraw/zinc/66/04/98/571660498.db2.gz HYULPJZXCRHBBD-WDYNHAJCSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000225234051 571660785 /nfs/dbraw/zinc/66/07/85/571660785.db2.gz ZJYRNHBXRQHCAO-NSOVKSMOSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000225234216 571660811 /nfs/dbraw/zinc/66/08/11/571660811.db2.gz WSKFPNKLTLJPNN-ACHIHNKUSA-N 0 0 631.202 5.741 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000225238027 571661261 /nfs/dbraw/zinc/66/12/61/571661261.db2.gz XXXQPPKOEAHLHJ-VSGBNLITSA-N 0 0 596.540 6.264 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000225240668 571661495 /nfs/dbraw/zinc/66/14/95/571661495.db2.gz JTBYYSYAFXXQMG-ROJLCIKYSA-N 0 0 596.156 7.058 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000225241241 571661588 /nfs/dbraw/zinc/66/15/88/571661588.db2.gz KLNZMBMRQMMWBV-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000225241189 571661610 /nfs/dbraw/zinc/66/16/10/571661610.db2.gz LVLOFSZTIUMOBT-VSGBNLITSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000225241677 571661679 /nfs/dbraw/zinc/66/16/79/571661679.db2.gz FBOSPDZVLJNGDA-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225241902 571661702 /nfs/dbraw/zinc/66/17/02/571661702.db2.gz CXOGEDBYJCRSAJ-LOYHVIPDSA-N 0 0 574.150 6.467 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225241936 571661715 /nfs/dbraw/zinc/66/17/15/571661715.db2.gz CXOGEDBYJCRSAJ-IHLOFXLRSA-N 0 0 574.150 6.467 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225242187 571661724 /nfs/dbraw/zinc/66/17/24/571661724.db2.gz NPBSJOYOVJOEFF-KYJUHHDHSA-N 0 0 574.150 6.467 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000225242353 571661749 /nfs/dbraw/zinc/66/17/49/571661749.db2.gz VUZQHGRXWISXHK-VSGBNLITSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000225242475 571661753 /nfs/dbraw/zinc/66/17/53/571661753.db2.gz VKMWFJCJEREDMA-WUFINQPMSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000225244002 571661900 /nfs/dbraw/zinc/66/19/00/571661900.db2.gz ZDRKZXPJFIOTEO-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000225243741 571661911 /nfs/dbraw/zinc/66/19/11/571661911.db2.gz NUEMDLIYAVZWJD-WUFINQPMSA-N 0 0 562.095 5.610 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225244968 571661982 /nfs/dbraw/zinc/66/19/82/571661982.db2.gz UKMKITVWGPPEAI-ROJLCIKYSA-N 0 0 617.219 6.751 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000225244818 571661990 /nfs/dbraw/zinc/66/19/90/571661990.db2.gz GPVOGLWATKKZHE-KYJUHHDHSA-N 0 0 589.165 5.971 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000225245407 571662073 /nfs/dbraw/zinc/66/20/73/571662073.db2.gz OLXPCEKORZRILF-VSGBNLITSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000225246172 571662153 /nfs/dbraw/zinc/66/21/53/571662153.db2.gz AVVUHBURZSITSG-URLMMPGGSA-N 0 0 590.105 5.633 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000225246200 571662166 /nfs/dbraw/zinc/66/21/66/571662166.db2.gz AVVUHBURZSITSG-FQLXRVMXSA-N 0 0 590.105 5.633 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225247675 571662240 /nfs/dbraw/zinc/66/22/40/571662240.db2.gz RLHASKUOKUBNMX-SMCANUKXSA-N 0 0 588.177 6.775 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225247569 571662267 /nfs/dbraw/zinc/66/22/67/571662267.db2.gz RLHASKUOKUBNMX-BVRKHOPBSA-N 0 0 588.177 6.775 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000225257272 571663300 /nfs/dbraw/zinc/66/33/00/571663300.db2.gz AQHMJWJLXCNGRT-RRPNLBNLSA-N 0 0 532.069 5.596 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000225258089 571663395 /nfs/dbraw/zinc/66/33/95/571663395.db2.gz JGUFMEXTCQVDTB-URLMMPGGSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225267445 571664562 /nfs/dbraw/zinc/66/45/62/571664562.db2.gz PPRQLVLIUKUGAT-VMPREFPWSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225267833 571664601 /nfs/dbraw/zinc/66/46/01/571664601.db2.gz VHALIHZXWBEALM-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225268678 571664699 /nfs/dbraw/zinc/66/46/99/571664699.db2.gz HTIUKQLKRAMXPW-VMPREFPWSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225269063 571664789 /nfs/dbraw/zinc/66/47/89/571664789.db2.gz YMPOXIZHTJKKSQ-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225269296 571664840 /nfs/dbraw/zinc/66/48/40/571664840.db2.gz SSPGSXDTPLPMHX-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225269629 571664863 /nfs/dbraw/zinc/66/48/63/571664863.db2.gz DZLRSRWZBRSHMP-WDYNHAJCSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225271608 571665090 /nfs/dbraw/zinc/66/50/90/571665090.db2.gz PJGMRNOWSAPSIF-FQLXRVMXSA-N 0 0 594.568 6.866 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271262 571665102 /nfs/dbraw/zinc/66/51/02/571665102.db2.gz NFYRIIMWOKKHPV-LQJZCPKCSA-N 0 0 596.801 6.406 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225272039 571665107 /nfs/dbraw/zinc/66/51/07/571665107.db2.gz JKFCPWVWQZCOAP-VEEOACQBSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225271999 571665117 /nfs/dbraw/zinc/66/51/17/571665117.db2.gz JKFCPWVWQZCOAP-SMCANUKXSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225272456 571665161 /nfs/dbraw/zinc/66/51/61/571665161.db2.gz CJJCUEPNWGREIE-LOYHVIPDSA-N 0 0 569.687 5.288 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225272680 571665187 /nfs/dbraw/zinc/66/51/87/571665187.db2.gz ZFZUUJFPKPDDGK-KYJUHHDHSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225283770 571666344 /nfs/dbraw/zinc/66/63/44/571666344.db2.gz IFZZBWHSHSLKEP-URLMMPGGSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1OC ZINC000225294480 571667671 /nfs/dbraw/zinc/66/76/71/571667671.db2.gz IIXPLJVKSWWXBD-KYJUHHDHSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1OC ZINC000225298261 571668372 /nfs/dbraw/zinc/66/83/72/571668372.db2.gz PRHCIYMBOILQRF-VMPREFPWSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1OC ZINC000225298868 571668388 /nfs/dbraw/zinc/66/83/88/571668388.db2.gz XOSZPNMYKPRQQT-JSOSNVBQSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1OC ZINC000225299132 571668426 /nfs/dbraw/zinc/66/84/26/571668426.db2.gz LFXONIQNCMMIEE-CDZUIXILSA-N 0 0 583.758 6.185 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)ccc1OC ZINC000225309122 571669818 /nfs/dbraw/zinc/66/98/18/571669818.db2.gz ZVIBLAFVQMRZPG-KYJUHHDHSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NC(C)=O ZINC000225313866 571670873 /nfs/dbraw/zinc/67/08/73/571670873.db2.gz QMQFONNFIZGEMB-KAYWLYCHSA-N 0 0 512.639 5.028 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NC(C)=O ZINC000225318237 571672271 /nfs/dbraw/zinc/67/22/71/571672271.db2.gz QPNHYVJDFKRZPS-VMPREFPWSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NC(C)=O ZINC000225318769 571672503 /nfs/dbraw/zinc/67/25/03/571672503.db2.gz LJLIDFRRZTUEFE-WUFINQPMSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NC(C)=O ZINC000225318546 571672543 /nfs/dbraw/zinc/67/25/43/571672543.db2.gz DBWZMDMTNOXTOJ-VMPREFPWSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NC(C)=O ZINC000225319206 571672908 /nfs/dbraw/zinc/67/29/08/571672908.db2.gz OUJDOCYKHARVPK-VSGBNLITSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NC(C)=O ZINC000225319886 571674386 /nfs/dbraw/zinc/67/43/86/571674386.db2.gz PHJVUQALYAZBJZ-IZLXSDGUSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225320100 571674847 /nfs/dbraw/zinc/67/48/47/571674847.db2.gz AVWFZODOWWWNFG-URLMMPGGSA-N 0 0 541.677 5.642 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320881 571676259 /nfs/dbraw/zinc/67/62/59/571676259.db2.gz SCQIFQAQUFGJDT-ZWXJPIIXSA-N 0 0 582.774 6.479 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NC(C)=O ZINC000225321046 571676303 /nfs/dbraw/zinc/67/63/03/571676303.db2.gz VYKYJIYOADOQDJ-WUFINQPMSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NC(C)=O ZINC000225321828 571677191 /nfs/dbraw/zinc/67/71/91/571677191.db2.gz ZKNUKGKWIIKZJX-XZWHSSHBSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225322607 571678587 /nfs/dbraw/zinc/67/85/87/571678587.db2.gz FFPGGKADXNEYRM-URLMMPGGSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NC(C)=O ZINC000225323537 571679594 /nfs/dbraw/zinc/67/95/94/571679594.db2.gz ASKXZEWLZVTBJG-WUFINQPMSA-N 0 0 526.666 5.337 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260770790 571680418 /nfs/dbraw/zinc/68/04/18/571680418.db2.gz UGNNPCZEHNZZAX-XMMPIXPASA-N 0 0 519.711 5.751 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225343327 571702320 /nfs/dbraw/zinc/70/23/20/571702320.db2.gz GHWZEZDWALPOOO-WUFINQPMSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225344089 571703531 /nfs/dbraw/zinc/70/35/31/571703531.db2.gz JMJUGCZVNIKPGA-NSOVKSMOSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225344347 571704140 /nfs/dbraw/zinc/70/41/40/571704140.db2.gz ZGAWIXQTPBZQAA-WUFINQPMSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225344743 571704728 /nfs/dbraw/zinc/70/47/28/571704728.db2.gz XNFXFYAMNQHDHD-IZLXSDGUSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225344962 571704814 /nfs/dbraw/zinc/70/48/14/571704814.db2.gz VZEHUGHOGFSXCL-NSOVKSMOSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225346631 571706924 /nfs/dbraw/zinc/70/69/24/571706924.db2.gz CUJGRHHOJNGWNR-VSGBNLITSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225346670 571706970 /nfs/dbraw/zinc/70/69/70/571706970.db2.gz CUJGRHHOJNGWNR-IZLXSDGUSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225347020 571706988 /nfs/dbraw/zinc/70/69/88/571706988.db2.gz FKRKLWSMHBYMIO-XZWHSSHBSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225347436 571707598 /nfs/dbraw/zinc/70/75/98/571707598.db2.gz UTUIVXYPILTJBE-FQLXRVMXSA-N 0 0 526.662 6.182 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225347507 571707641 /nfs/dbraw/zinc/70/76/41/571707641.db2.gz UTUIVXYPILTJBE-URLMMPGGSA-N 0 0 526.662 6.182 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225347218 571707787 /nfs/dbraw/zinc/70/77/87/571707787.db2.gz XLUXJSQBKSDODB-JDXGNMNLSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225347785 571708290 /nfs/dbraw/zinc/70/82/90/571708290.db2.gz LUWGUQWOEBNSMF-WDYNHAJCSA-N 0 0 531.125 7.415 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225348344 571708973 /nfs/dbraw/zinc/70/89/73/571708973.db2.gz AQVHPNBEGBEXAQ-VMPREFPWSA-N 0 0 531.125 7.415 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000260805263 571713550 /nfs/dbraw/zinc/71/35/50/571713550.db2.gz AFRXZABRGVTCBO-XMMPIXPASA-N 0 0 519.711 5.751 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225362293 571724772 /nfs/dbraw/zinc/72/47/72/571724772.db2.gz WCCBCHLQHCHXKO-IHLOFXLRSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225368071 571732132 /nfs/dbraw/zinc/73/21/32/571732132.db2.gz SFWQEUAYMCZYNA-KKLWWLSJSA-N 0 0 558.751 8.141 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225369237 571734136 /nfs/dbraw/zinc/73/41/36/571734136.db2.gz ZKCZLDVIBSNJKQ-ROJLCIKYSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Br ZINC000225370458 571735693 /nfs/dbraw/zinc/73/56/93/571735693.db2.gz ANKMEBMVHDWSPD-LOYHVIPDSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225373170 571739013 /nfs/dbraw/zinc/73/90/13/571739013.db2.gz PTVDGZSUPOFULP-JSOSNVBQSA-N 0 0 552.700 6.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225373956 571740015 /nfs/dbraw/zinc/74/00/15/571740015.db2.gz VHAAJLPSGORXLP-IOWSJCHKSA-N 0 0 557.163 7.949 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225374927 571741138 /nfs/dbraw/zinc/74/11/38/571741138.db2.gz FRRGEPUAANFGOA-IHLOFXLRSA-N 0 0 523.706 6.691 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1OC ZINC000260851085 571751347 /nfs/dbraw/zinc/75/13/47/571751347.db2.gz DLKXMSAVWDQDMK-FQLXRVMXSA-N 0 0 592.165 6.137 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260851112 571751463 /nfs/dbraw/zinc/75/14/63/571751463.db2.gz FLDPHSVHBQIPCH-KYJUHHDHSA-N 0 0 559.179 7.865 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851304 571751925 /nfs/dbraw/zinc/75/19/25/571751925.db2.gz OLHJXDCLPNKMHJ-IZLXSDGUSA-N 0 0 529.685 5.854 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260851271 571752035 /nfs/dbraw/zinc/75/20/35/571752035.db2.gz MJZXGQWHHTXGFE-FQLXRVMXSA-N 0 0 541.721 5.723 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852542 571752870 /nfs/dbraw/zinc/75/28/70/571752870.db2.gz RJWALWONKKGIKA-AJQTZOPKSA-N 0 0 596.200 7.521 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852530 571752931 /nfs/dbraw/zinc/75/29/31/571752931.db2.gz RFTXGSXVXXGCOM-NSOVKSMOSA-N 0 0 594.612 7.792 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852689 571753553 /nfs/dbraw/zinc/75/35/53/571753553.db2.gz WUVZPDLPPWSFFP-ZWXJPIIXSA-N 0 0 561.755 6.868 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225386068 571754647 /nfs/dbraw/zinc/75/46/47/571754647.db2.gz UHDFSGVICWDSOW-IZZNHLLZSA-N 0 0 585.677 6.057 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000225386829 571756081 /nfs/dbraw/zinc/75/60/81/571756081.db2.gz DKYSMPBHEXMEDH-CLJLJLNGSA-N 0 0 568.168 5.915 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F ZINC000225394491 571763741 /nfs/dbraw/zinc/76/37/41/571763741.db2.gz GDSUAZIOESBHMT-FTJBHMTQSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000225394634 571763777 /nfs/dbraw/zinc/76/37/77/571763777.db2.gz ZYARCDUEKKKSNU-CLJLJLNGSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000225394712 571763882 /nfs/dbraw/zinc/76/38/82/571763882.db2.gz ZYARCDUEKKKSNU-IZZNHLLZSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225395804 571765382 /nfs/dbraw/zinc/76/53/82/571765382.db2.gz ANBGEEUWJPEFMH-UIOOFZCWSA-N 0 0 596.576 5.800 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225396487 571766024 /nfs/dbraw/zinc/76/60/24/571766024.db2.gz NDFWZOIQRGZNRN-RRPNLBNLSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225396656 571766675 /nfs/dbraw/zinc/76/66/75/571766675.db2.gz XPKJJXGAFHLWJK-RRPNLBNLSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NS(C)(=O)=O ZINC000225423795 571789944 /nfs/dbraw/zinc/78/99/44/571789944.db2.gz ZKVNLXLYFFSWLL-JSOSNVBQSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225424394 571790451 /nfs/dbraw/zinc/79/04/51/571790451.db2.gz YGVVXGKUSKWEER-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225424755 571791142 /nfs/dbraw/zinc/79/11/42/571791142.db2.gz FCSXPISCVVNYPB-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NS(C)(=O)=O ZINC000225424968 571791169 /nfs/dbraw/zinc/79/11/69/571791169.db2.gz OCNQWCVRGSREBY-RRPNLBNLSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427293 571794019 /nfs/dbraw/zinc/79/40/19/571794019.db2.gz UARNNQQUZUKWCF-VSGBNLITSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428122 571795133 /nfs/dbraw/zinc/79/51/33/571795133.db2.gz OCSVDXCEUMUMSO-VMPREFPWSA-N 0 0 590.775 5.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C ZINC000225452782 571824421 /nfs/dbraw/zinc/82/44/21/571824421.db2.gz LFIAEPGSROMQQD-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225452907 571824447 /nfs/dbraw/zinc/82/44/47/571824447.db2.gz BWSGKCQIXLZAMR-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225453137 571824505 /nfs/dbraw/zinc/82/45/05/571824505.db2.gz XYIJDCWUOCZHBN-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225453309 571824941 /nfs/dbraw/zinc/82/49/41/571824941.db2.gz OLYJLCSLXHGRRM-RRPNLBNLSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225453232 571824996 /nfs/dbraw/zinc/82/49/96/571824996.db2.gz OLYJLCSLXHGRRM-KAYWLYCHSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1F ZINC000225453827 571825498 /nfs/dbraw/zinc/82/54/98/571825498.db2.gz FIOJVGRWVVFELL-SVBPBHIXSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000225454197 571825612 /nfs/dbraw/zinc/82/56/12/571825612.db2.gz LHVJKHMWJHPTOS-KAYWLYCHSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225454392 571826259 /nfs/dbraw/zinc/82/62/59/571826259.db2.gz JZEPEMKDEYCJQE-SXOMAYOGSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225455003 571826819 /nfs/dbraw/zinc/82/68/19/571826819.db2.gz FOGHGXPCDAKNEF-KAYWLYCHSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225455076 571826821 /nfs/dbraw/zinc/82/68/21/571826821.db2.gz FOGHGXPCDAKNEF-RRPNLBNLSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225455485 571827175 /nfs/dbraw/zinc/82/71/75/571827175.db2.gz LIIMSZWJOLTPHR-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225456378 571827971 /nfs/dbraw/zinc/82/79/71/571827971.db2.gz BIUPLBNGOZPFFL-URLMMPGGSA-N 0 0 574.776 5.412 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225457407 571829123 /nfs/dbraw/zinc/82/91/23/571829123.db2.gz RQVCQKVTSDQQCG-WDYNHAJCSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458594 571830488 /nfs/dbraw/zinc/83/04/88/571830488.db2.gz XWJYGIXOQTYWFR-NSOVKSMOSA-N 0 0 606.730 5.263 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225468634 571839621 /nfs/dbraw/zinc/83/96/21/571839621.db2.gz UHYVIMXGYFVIJA-VSGBNLITSA-N 0 0 589.743 5.133 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000260911677 571840502 /nfs/dbraw/zinc/84/05/02/571840502.db2.gz CTRLHHSOFRMSMV-BAGWDXEUSA-N 0 0 586.205 7.508 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c(OC)c1 ZINC000260911943 571841121 /nfs/dbraw/zinc/84/11/21/571841121.db2.gz DKHPJQIYHWFPEP-KAYWLYCHSA-N 0 0 535.113 6.561 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c(OC)c1 ZINC000260911949 571841174 /nfs/dbraw/zinc/84/11/74/571841174.db2.gz DKHPJQIYHWFPEP-RRPNLBNLSA-N 0 0 535.113 6.561 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260914068 571843828 /nfs/dbraw/zinc/84/38/28/571843828.db2.gz GAGOWYPKWSODJI-JSOSNVBQSA-N 0 0 572.222 7.780 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260914711 571844825 /nfs/dbraw/zinc/84/48/25/571844825.db2.gz GYEBIIPVDRBVES-VMPREFPWSA-N 0 0 560.167 6.380 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260916287 571848030 /nfs/dbraw/zinc/84/80/30/571848030.db2.gz IJCRDVIJTFQWRG-KAYWLYCHSA-N 0 0 532.113 6.502 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NS(C)(=O)=O ZINC000225479100 571849131 /nfs/dbraw/zinc/84/91/31/571849131.db2.gz HGOKHUGEUDXCQC-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225479186 571849391 /nfs/dbraw/zinc/84/93/91/571849391.db2.gz HQYHRACHLYSKDD-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225479725 571850127 /nfs/dbraw/zinc/85/01/27/571850127.db2.gz PLNPUKWOWVJSRQ-VMPREFPWSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225480385 571850526 /nfs/dbraw/zinc/85/05/26/571850526.db2.gz HFOKWAXTEUPALK-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NS(C)(=O)=O ZINC000225480830 571851249 /nfs/dbraw/zinc/85/12/49/571851249.db2.gz ZATDXNXITKEFNI-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225481325 571852138 /nfs/dbraw/zinc/85/21/38/571852138.db2.gz QWNLWHCGFCZXEB-VSGBNLITSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482557 571853155 /nfs/dbraw/zinc/85/31/55/571853155.db2.gz IANCWMBVDAAYKJ-SXOMAYOGSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260919748 571853680 /nfs/dbraw/zinc/85/36/80/571853680.db2.gz NIPLOHOYPJETKD-ZVUFWCIGSA-N 0 0 634.677 8.464 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483999 571854701 /nfs/dbraw/zinc/85/47/01/571854701.db2.gz CZBJOAHOZPGQIY-VSGBNLITSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484240 571854748 /nfs/dbraw/zinc/85/47/48/571854748.db2.gz XJCNDSVGQGMRMR-IZLXSDGUSA-N 0 0 612.177 5.708 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000260921373 571857388 /nfs/dbraw/zinc/85/73/88/571857388.db2.gz POAJCPCTPZMCGI-ROJLCIKYSA-N 0 0 581.185 8.645 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000260925520 571864529 /nfs/dbraw/zinc/86/45/29/571864529.db2.gz UYUKTLOOAJYRAD-GNTSNBFWSA-N 0 0 584.233 8.110 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260925550 571864647 /nfs/dbraw/zinc/86/46/47/571864647.db2.gz VLDRLQRYQVHVEK-CONSDPRKSA-N 0 0 628.223 8.603 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000260926973 571868001 /nfs/dbraw/zinc/86/80/01/571868001.db2.gz XHYZHDKAYJFRPX-PUZWTLIVSA-N 0 0 501.483 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000260927612 571869831 /nfs/dbraw/zinc/86/98/31/571869831.db2.gz ZEYXAAJQEFTUQO-BAGWDXEUSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225500624 571870471 /nfs/dbraw/zinc/87/04/71/571870471.db2.gz SCZRQTVLVARNMU-RRPNLBNLSA-N 0 0 532.069 5.459 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225500658 571870633 /nfs/dbraw/zinc/87/06/33/571870633.db2.gz SCZRQTVLVARNMU-SVBPBHIXSA-N 0 0 532.069 5.459 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225504739 571875257 /nfs/dbraw/zinc/87/52/57/571875257.db2.gz RVKIAIMBRNQDAX-KAYWLYCHSA-N 0 0 516.070 5.754 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225506017 571876330 /nfs/dbraw/zinc/87/63/30/571876330.db2.gz UYQVCQPHOXEEBT-WUFINQPMSA-N 0 0 511.651 5.109 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506938 571877652 /nfs/dbraw/zinc/87/76/52/571877652.db2.gz GVVFBGHZUDTUEQ-CONSDPRKSA-N 0 0 552.748 5.947 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225507753 571878659 /nfs/dbraw/zinc/87/86/59/571878659.db2.gz WYCNLLMEWVGPOI-WDYNHAJCSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225507497 571878722 /nfs/dbraw/zinc/87/87/22/571878722.db2.gz BGMKTZNUQAZWLD-URLMMPGGSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225508039 571879106 /nfs/dbraw/zinc/87/91/06/571879106.db2.gz MMHOZCBAOMXWTE-DGPALRBDSA-N 0 0 523.706 6.026 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508346 571879423 /nfs/dbraw/zinc/87/94/23/571879423.db2.gz BYQOSUXODIOCCH-IZLXSDGUSA-N 0 0 556.648 5.017 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225508543 571879477 /nfs/dbraw/zinc/87/94/77/571879477.db2.gz ZNYJKTFHGDIXNZ-WUFINQPMSA-N 0 0 556.648 5.017 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000225528043 571894381 /nfs/dbraw/zinc/89/43/81/571894381.db2.gz JPRZPGIVDUAKLO-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225528332 571894975 /nfs/dbraw/zinc/89/49/75/571894975.db2.gz HSCOCEOMPDZZCV-LOYHVIPDSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F ZINC000225528484 571895062 /nfs/dbraw/zinc/89/50/62/571895062.db2.gz RZRWMSNDXBMMRP-IZLXSDGUSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000225528720 571895524 /nfs/dbraw/zinc/89/55/24/571895524.db2.gz BPJLSZVNIVJHJZ-WUFINQPMSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000225528606 571895643 /nfs/dbraw/zinc/89/56/43/571895643.db2.gz LPWNDELBNTWVTC-WUFINQPMSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225529047 571895918 /nfs/dbraw/zinc/89/59/18/571895918.db2.gz SFDYAJZIOBNVEU-NSOVKSMOSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225529234 571896058 /nfs/dbraw/zinc/89/60/58/571896058.db2.gz MTEVXVFFYBVFNG-NSOVKSMOSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225530445 571897133 /nfs/dbraw/zinc/89/71/33/571897133.db2.gz LCTNZNPZZGLFMO-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225531513 571898344 /nfs/dbraw/zinc/89/83/44/571898344.db2.gz LXYAZXAMSVASMY-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000225532124 571898921 /nfs/dbraw/zinc/89/89/21/571898921.db2.gz JWPRVOHTHGAVBB-WUFINQPMSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000225532326 571898948 /nfs/dbraw/zinc/89/89/48/571898948.db2.gz MCVFZHTVBSGMIJ-IZLXSDGUSA-N 0 0 510.667 5.194 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225542396 571907238 /nfs/dbraw/zinc/90/72/38/571907238.db2.gz BMLZRFGHWCHQFY-LOYHVIPDSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225545347 571909527 /nfs/dbraw/zinc/90/95/27/571909527.db2.gz KLXFNWAGPUWQKY-IHLOFXLRSA-N 0 0 574.150 6.412 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225548443 571911495 /nfs/dbraw/zinc/91/14/95/571911495.db2.gz HXIWYUYNIVQZNE-KYJUHHDHSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225550136 571912667 /nfs/dbraw/zinc/91/26/67/571912667.db2.gz HKONKJUTMLTGNX-LOYHVIPDSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225549924 571912724 /nfs/dbraw/zinc/91/27/24/571912724.db2.gz CKFTZNOFKXCPIQ-IHLOFXLRSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225551628 571914570 /nfs/dbraw/zinc/91/45/70/571914570.db2.gz GNZPSQPBYHJRSW-ACHIHNKUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225551721 571914647 /nfs/dbraw/zinc/91/46/47/571914647.db2.gz GNZPSQPBYHJRSW-ROJLCIKYSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225551434 571914688 /nfs/dbraw/zinc/91/46/88/571914688.db2.gz MWDXYGIAPSAXRK-XZWHSSHBSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225552602 571915360 /nfs/dbraw/zinc/91/53/60/571915360.db2.gz LZUWZTAJBIFTMX-CONSDPRKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000225552847 571915823 /nfs/dbraw/zinc/91/58/23/571915823.db2.gz ATFMTTLHNIUQJT-FIRIVFDPSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225553933 571916496 /nfs/dbraw/zinc/91/64/96/571916496.db2.gz QEJUQEQTOBIDAC-XZWHSSHBSA-N 0 0 538.721 5.756 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000225565319 571927337 /nfs/dbraw/zinc/92/73/37/571927337.db2.gz RNJNFSOJHRMMQA-VMPREFPWSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225569810 571931656 /nfs/dbraw/zinc/93/16/56/571931656.db2.gz JPYAWNWIUIFZSH-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225569992 571931669 /nfs/dbraw/zinc/93/16/69/571931669.db2.gz MZJPRVUYZTYGND-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C ZINC000225569648 571931718 /nfs/dbraw/zinc/93/17/18/571931718.db2.gz JHUHPRBTTMJZLG-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000225569739 571931741 /nfs/dbraw/zinc/93/17/41/571931741.db2.gz MRCYXRZTORXTGU-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225570868 571932208 /nfs/dbraw/zinc/93/22/08/571932208.db2.gz VXAGTIKESYBYQV-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225570620 571932322 /nfs/dbraw/zinc/93/23/22/571932322.db2.gz IAOHXXFESAMOOM-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225570660 571932384 /nfs/dbraw/zinc/93/23/84/571932384.db2.gz IAOHXXFESAMOOM-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225571762 571932948 /nfs/dbraw/zinc/93/29/48/571932948.db2.gz SEJMUNDRHNVUTN-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572563 571933545 /nfs/dbraw/zinc/93/35/45/571933545.db2.gz KGSWXZGRFQFZQQ-JHOUSYSJSA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225572910 571933962 /nfs/dbraw/zinc/93/39/62/571933962.db2.gz KUKDDOSEVIDSGD-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225574742 571935067 /nfs/dbraw/zinc/93/50/67/571935067.db2.gz GYNXTMLRIPNGFT-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574602 571935098 /nfs/dbraw/zinc/93/50/98/571935098.db2.gz QQDXLOMPMPBIRR-XLJNKUFUSA-N 0 0 551.760 6.670 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225582457 571941570 /nfs/dbraw/zinc/94/15/70/571941570.db2.gz YMOBNUONGXZGKT-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225584675 571943026 /nfs/dbraw/zinc/94/30/26/571943026.db2.gz HMUGXSBYXIRREX-ROJLCIKYSA-N 0 0 598.748 5.466 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000225585275 571943935 /nfs/dbraw/zinc/94/39/35/571943935.db2.gz IUKGOJHBYGVXQE-VSGBNLITSA-N 0 0 564.130 6.507 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225590508 571946692 /nfs/dbraw/zinc/94/66/92/571946692.db2.gz KZWUODKLJZHNJM-NSOVKSMOSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C ZINC000225590016 571946778 /nfs/dbraw/zinc/94/67/78/571946778.db2.gz JYINWMGZBDNHMS-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225590783 571947071 /nfs/dbraw/zinc/94/70/71/571947071.db2.gz SRRIYWLWPZPQHB-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225592288 571947979 /nfs/dbraw/zinc/94/79/79/571947979.db2.gz WODURLQTQLXCFG-NSOVKSMOSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1O ZINC000225592142 571947984 /nfs/dbraw/zinc/94/79/84/571947984.db2.gz HSPZHYAXIVFANO-NSOVKSMOSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225592505 571948574 /nfs/dbraw/zinc/94/85/74/571948574.db2.gz HPOSFITVOONIBY-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225594308 571949505 /nfs/dbraw/zinc/94/95/05/571949505.db2.gz LHCPXEGSOWCIAI-IGYGKHONSA-N 0 0 555.723 6.555 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595314 571950324 /nfs/dbraw/zinc/95/03/24/571950324.db2.gz IMXLGIXAUHXWHQ-VEEOACQBSA-N 0 0 555.723 6.500 40 10 KKCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000225605795 571958469 /nfs/dbraw/zinc/95/84/69/571958469.db2.gz KKXSPPIAVKLZKG-UHFFFAOYSA-N 0 0 541.739 5.165 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225606072 571958896 /nfs/dbraw/zinc/95/88/96/571958896.db2.gz SCBAGXVSDLXYTN-ROJLCIKYSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225605981 571958972 /nfs/dbraw/zinc/95/89/72/571958972.db2.gz AOGKYWAHSQBDBP-IZLXSDGUSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1O ZINC000225608866 571960962 /nfs/dbraw/zinc/96/09/62/571960962.db2.gz FEZJKDQQHXLSRV-VSGBNLITSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1O ZINC000225608941 571960971 /nfs/dbraw/zinc/96/09/71/571960971.db2.gz FEZJKDQQHXLSRV-NSOVKSMOSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C ZINC000225610758 571962942 /nfs/dbraw/zinc/96/29/42/571962942.db2.gz SDCZDUBFQYRYOP-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000225611075 571963379 /nfs/dbraw/zinc/96/33/79/571963379.db2.gz ZHJIZNXVYNTUBA-IZLXSDGUSA-N 0 0 581.639 6.648 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225611174 571963393 /nfs/dbraw/zinc/96/33/93/571963393.db2.gz QYATUNZZLPXUER-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000225611125 571963398 /nfs/dbraw/zinc/96/33/98/571963398.db2.gz ZHJIZNXVYNTUBA-NSOVKSMOSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl ZINC000225611789 571963672 /nfs/dbraw/zinc/96/36/72/571963672.db2.gz NKXKJWNTXHIFMX-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000225611643 571963781 /nfs/dbraw/zinc/96/37/81/571963781.db2.gz JVLIAGXPFSNWTC-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000225612282 571964329 /nfs/dbraw/zinc/96/43/29/571964329.db2.gz YDSSSBVRHVYIPA-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccc1C ZINC000225614022 571965089 /nfs/dbraw/zinc/96/50/89/571965089.db2.gz YGQRIQMSLDDGOD-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225613721 571965188 /nfs/dbraw/zinc/96/51/88/571965188.db2.gz DEYXQRIBODCBCK-VSGBNLITSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000225613612 571965200 /nfs/dbraw/zinc/96/52/00/571965200.db2.gz XYTUQJBGGHBICL-IZLXSDGUSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1C ZINC000225613856 571965245 /nfs/dbraw/zinc/96/52/45/571965245.db2.gz SLQAZLLABCBCHY-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000225614978 571966000 /nfs/dbraw/zinc/96/60/00/571966000.db2.gz ZPCZQMFYJKGPBH-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225621984 571972276 /nfs/dbraw/zinc/97/22/76/571972276.db2.gz JGMUVVPEADVKDF-VSGBNLITSA-N 0 0 529.641 5.330 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225622188 571972902 /nfs/dbraw/zinc/97/29/02/571972902.db2.gz VIPFWRCCVDFNSO-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000225625101 571976549 /nfs/dbraw/zinc/97/65/49/571976549.db2.gz YFTGVUNPHMUDIT-KYJUHHDHSA-N 0 0 574.194 6.985 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccn1 ZINC000225625713 571977384 /nfs/dbraw/zinc/97/73/84/571977384.db2.gz FLJXMMUJRQVKRB-FQLXRVMXSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225629119 571980987 /nfs/dbraw/zinc/98/09/87/571980987.db2.gz ATHBSDONGLUPSB-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1F ZINC000225629556 571981494 /nfs/dbraw/zinc/98/14/94/571981494.db2.gz KUDXTSYKTFRNFE-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(F)c1 ZINC000225629617 571981921 /nfs/dbraw/zinc/98/19/21/571981921.db2.gz NMNQNWUFHXCYAU-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225629695 571982021 /nfs/dbraw/zinc/98/20/21/571982021.db2.gz TWHHMLJOTPXLCK-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631329 571983390 /nfs/dbraw/zinc/98/33/90/571983390.db2.gz VKQQNLNDSAWFLX-NOCHOARKSA-N 0 0 594.829 6.953 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225631193 571983405 /nfs/dbraw/zinc/98/34/05/571983405.db2.gz MGZSSKPMFINIFX-ROJLCIKYSA-N 0 0 566.775 6.173 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225631731 571983637 /nfs/dbraw/zinc/98/36/37/571983637.db2.gz HXUBXOBVICTGNK-ROJLCIKYSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cccc1C ZINC000225631862 571984261 /nfs/dbraw/zinc/98/42/61/571984261.db2.gz VWXVQSQLGNVBPK-BHYZAODMSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225632371 571984618 /nfs/dbraw/zinc/98/46/18/571984618.db2.gz YROHZDSYLWOIFF-CONSDPRKSA-N 0 0 572.178 7.069 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225644451 571993524 /nfs/dbraw/zinc/99/35/24/571993524.db2.gz BRABNLITQIZKGL-WDYNHAJCSA-N 0 0 560.123 6.158 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225646882 571995572 /nfs/dbraw/zinc/99/55/72/571995572.db2.gz XNLVRACPSOJPDJ-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225646622 571995663 /nfs/dbraw/zinc/99/56/63/571995663.db2.gz MEQYPTLXUHDRQK-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225647497 571996476 /nfs/dbraw/zinc/99/64/76/571996476.db2.gz UINABKBJZVNCGS-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225647644 571996534 /nfs/dbraw/zinc/99/65/34/571996534.db2.gz UWBMSXNQXMFNQC-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225649979 571998528 /nfs/dbraw/zinc/99/85/28/571998528.db2.gz KQLYYCUQARHVPI-CDZUIXILSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225651194 571999365 /nfs/dbraw/zinc/99/93/65/571999365.db2.gz NFZIEBVFNDUXMD-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225665567 572008987 /nfs/dbraw/zinc/00/89/87/572008987.db2.gz LXKIVUABNVFZFW-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225666147 572008992 /nfs/dbraw/zinc/00/89/92/572008992.db2.gz GJHAXURRFJVXCN-JSOSNVBQSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225665787 572009017 /nfs/dbraw/zinc/00/90/17/572009017.db2.gz VATKVUZBTFXCJE-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225668331 572010312 /nfs/dbraw/zinc/01/03/12/572010312.db2.gz XPJPUSREMVNERQ-FIRIVFDPSA-N 0 0 568.747 5.565 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225668798 572010737 /nfs/dbraw/zinc/01/07/37/572010737.db2.gz YPIABXYZLMLAJT-JSOSNVBQSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000225669855 572011563 /nfs/dbraw/zinc/01/15/63/572011563.db2.gz PXCAEQZNWKKLBK-KYJUHHDHSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225670523 572011915 /nfs/dbraw/zinc/01/19/15/572011915.db2.gz MTUUMIWGUBDMGY-VMPREFPWSA-N 0 0 540.693 5.202 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccn1 ZINC000225681750 572019163 /nfs/dbraw/zinc/01/91/63/572019163.db2.gz YPEXRGKAKXXRMM-IZLXSDGUSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225684722 572021198 /nfs/dbraw/zinc/02/11/98/572021198.db2.gz DTIVIIPTCIXVJF-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225685725 572022027 /nfs/dbraw/zinc/02/20/27/572022027.db2.gz GHASXFWBVIIUCO-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225685647 572022071 /nfs/dbraw/zinc/02/20/71/572022071.db2.gz LPXJQVJXQFIEJK-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Br ZINC000225686243 572022825 /nfs/dbraw/zinc/02/28/25/572022825.db2.gz CQCBSQBJNWQHEO-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cccc1C ZINC000225687896 572023929 /nfs/dbraw/zinc/02/39/29/572023929.db2.gz MWJXHEKMJLOIJF-BVRKHOPBSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688536 572024457 /nfs/dbraw/zinc/02/44/57/572024457.db2.gz KDDCRDUNWCXYSY-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688968 572024867 /nfs/dbraw/zinc/02/48/67/572024867.db2.gz CBGMOCZFWJWYBR-LOYHVIPDSA-N 0 0 574.150 6.461 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225696629 572028846 /nfs/dbraw/zinc/02/88/46/572028846.db2.gz OTMHDMMQEOKGDJ-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000225700607 572031633 /nfs/dbraw/zinc/03/16/33/572031633.db2.gz LQWJKYZQOLXGSZ-IOWSJCHKSA-N 0 0 546.700 6.039 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C ZINC000225704058 572034733 /nfs/dbraw/zinc/03/47/33/572034733.db2.gz LGPKGJIAQFLPPP-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000225704199 572034740 /nfs/dbraw/zinc/03/47/40/572034740.db2.gz XOWGRHYCKHSCOE-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000225704330 572035200 /nfs/dbraw/zinc/03/52/00/572035200.db2.gz SHHHSGIMPQCALI-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225704517 572035240 /nfs/dbraw/zinc/03/52/40/572035240.db2.gz CSCAOXWRFSQXOC-SZAHLOSFSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Br ZINC000225705376 572035893 /nfs/dbraw/zinc/03/58/93/572035893.db2.gz ARRXFBLBJUZSGP-ROJLCIKYSA-N 0 0 624.608 7.406 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225705984 572036371 /nfs/dbraw/zinc/03/63/71/572036371.db2.gz DGKCCZXTUMKLHV-SAIUNTKASA-N 0 0 575.738 6.652 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706648 572037184 /nfs/dbraw/zinc/03/71/84/572037184.db2.gz IFBOAFPXHNVKDB-LQFQNGICSA-N 0 0 616.835 7.490 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccc1C ZINC000225707173 572037501 /nfs/dbraw/zinc/03/75/01/572037501.db2.gz IKRLNZWXJNSCCK-HEVIKAOCSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225707507 572037593 /nfs/dbraw/zinc/03/75/93/572037593.db2.gz CCXYNMIDHSLVLZ-JHOUSYSJSA-N 0 0 589.721 6.372 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1C ZINC000225707720 572038055 /nfs/dbraw/zinc/03/80/55/572038055.db2.gz WCOMBUPZNOIIAE-SAIUNTKASA-N 0 0 594.184 7.605 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708298 572038457 /nfs/dbraw/zinc/03/84/57/572038457.db2.gz NALKTWHXTWRATD-SAIUNTKASA-N 0 0 610.183 7.306 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708550 572038864 /nfs/dbraw/zinc/03/88/64/572038864.db2.gz OGXIJLNKLYLDPN-QWOOXDRHSA-N 0 0 587.793 7.514 40 10 KKCBRN C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953999 572086481 /nfs/dbraw/zinc/08/64/81/572086481.db2.gz DDGAHGGFNLTXAS-NRFANRHFSA-N 0 0 502.688 5.592 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2Cc3ccccc3C2)cc(N2Cc3ccccc3C2)n1 ZINC000225954458 572086986 /nfs/dbraw/zinc/08/69/86/572086986.db2.gz WTNLOUGRBGIWRF-UHFFFAOYSA-N 0 0 547.732 5.604 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225954332 572087019 /nfs/dbraw/zinc/08/70/19/572087019.db2.gz AFMRQEIHLXULPM-UHFFFAOYSA-N 0 0 590.801 5.410 40 10 KKCBRN FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956597 572087098 /nfs/dbraw/zinc/08/70/98/572087098.db2.gz USIOWDJXXHXYAE-UHFFFAOYSA-N 0 0 512.605 5.145 40 10 KKCBRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954204 572087179 /nfs/dbraw/zinc/08/71/79/572087179.db2.gz VEESYYSYBSJYMB-WMPKNSHKSA-N 0 0 584.838 5.372 40 10 KKCBRN Nc1c2cc3c(nc2sc1C(=O)OC1CCN(C(=O)Nc2ccccc2)CC1)C[C@H](c1ccccc1)CC3 ZINC000261526795 572113131 /nfs/dbraw/zinc/11/31/31/572113131.db2.gz LEWGVWNNEZNSJK-HXUWFJFHSA-N 0 0 526.662 6.004 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2cc(Br)c(NS(=O)(=O)c3cccc(C)c3)cc2Br)cc1 ZINC000226863248 572144085 /nfs/dbraw/zinc/14/40/85/572144085.db2.gz YEBOGTAHDMFOQE-UHFFFAOYSA-N 0 0 574.316 5.430 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408530756 572172853 /nfs/dbraw/zinc/17/28/53/572172853.db2.gz MPORGABSXBJKTK-BWAHOGKJSA-N 0 0 536.680 6.055 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408531731 572176883 /nfs/dbraw/zinc/17/68/83/572176883.db2.gz QGCFZHQQOVKVBD-NSIKDUERSA-N 0 0 519.667 5.933 40 10 KKCBRN CCN(CC)c1cc2c(cc1NC=C1C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C1C)n(C)c(=O)n2C ZINC000408536296 572190593 /nfs/dbraw/zinc/19/05/93/572190593.db2.gz VWOYEPCRDVZDRE-OOAXWGSJSA-N 0 0 566.750 5.910 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccccc1I ZINC000408536964 572192760 /nfs/dbraw/zinc/19/27/60/572192760.db2.gz YMMREBMKMAKYMV-UVTDQMKNSA-N 0 0 510.173 5.389 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=S)Nc1cccc2ccccc21 ZINC000408536948 572192850 /nfs/dbraw/zinc/19/28/50/572192850.db2.gz YLCXPYXWFFRIIX-USHMODERSA-N 0 0 520.702 6.901 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537217 572193688 /nfs/dbraw/zinc/19/36/88/572193688.db2.gz DCQFOGQAYQBATA-UHFFFAOYSA-N 0 0 668.746 8.225 40 10 KKCBRN COc1cc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537581 572194974 /nfs/dbraw/zinc/19/49/74/572194974.db2.gz FWAXXHBHQINFHN-UHFFFAOYSA-N 0 0 675.137 8.099 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538531 572198793 /nfs/dbraw/zinc/19/87/93/572198793.db2.gz OKDIUIXLSGHGAI-UHFFFAOYSA-N 0 0 654.719 7.835 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538823 572199615 /nfs/dbraw/zinc/19/96/15/572199615.db2.gz CEMBNYLPPWFSIC-CVKSISIWSA-N 0 0 611.514 6.121 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539604 572202905 /nfs/dbraw/zinc/20/29/05/572202905.db2.gz IOLLFOJYJPYRKX-WGOQTCKBSA-N 0 0 521.660 6.131 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540503 572205740 /nfs/dbraw/zinc/20/57/40/572205740.db2.gz SOTSLLULSKORCP-VEILYXNESA-N 0 0 534.612 6.668 40 10 KKCBRN COc1cc(COc2c(Cl)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540599 572206191 /nfs/dbraw/zinc/20/61/91/572206191.db2.gz UIOXLPAKQVCVGU-ZMOGYAJESA-N 0 0 557.455 6.266 40 10 KKCBRN COc1cc(COc2c(Br)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408541176 572207721 /nfs/dbraw/zinc/20/77/21/572207721.db2.gz YFDSMVYMIRRZDB-ZMOGYAJESA-N 0 0 646.357 6.485 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550126 572233344 /nfs/dbraw/zinc/23/33/44/572233344.db2.gz BSXBJCFYFBBMAS-FRKPEAEDSA-N 0 0 609.294 5.503 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)S1 ZINC000408550233 572233426 /nfs/dbraw/zinc/23/34/26/572233426.db2.gz BWMOBYUXRYVOAE-OMCISZLKSA-N 0 0 622.122 5.642 40 10 KKCBRN O=C(COc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550719 572234606 /nfs/dbraw/zinc/23/46/06/572234606.db2.gz GVIHXJYBZLYNJV-LHHJGKSTSA-N 0 0 597.137 6.025 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550717 572234660 /nfs/dbraw/zinc/23/46/60/572234660.db2.gz GTSZGZKCTWPDOI-QGMBQPNBSA-N 0 0 634.279 5.121 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551798 572236813 /nfs/dbraw/zinc/23/68/13/572236813.db2.gz MPHIGUCBURKZID-JLPGSUDCSA-N 0 0 572.448 6.854 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408551969 572237231 /nfs/dbraw/zinc/23/72/31/572237231.db2.gz QEDYGSFAFNVRQA-VXLYETTFSA-N 0 0 522.852 5.169 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552594 572238657 /nfs/dbraw/zinc/23/86/57/572238657.db2.gz KDBCJSKUWBVTNV-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553284 572240170 /nfs/dbraw/zinc/24/01/70/572240170.db2.gz NMRYVBKNFUFWPL-UCQKPKSFSA-N 0 0 606.893 7.507 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000408571294 572256967 /nfs/dbraw/zinc/25/69/67/572256967.db2.gz AXZAMENGFKIDHE-MYYYXRDXSA-N 0 0 518.660 5.731 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)SC2=S)cc1 ZINC000408571596 572257304 /nfs/dbraw/zinc/25/73/04/572257304.db2.gz BTRVJYHOWSPKPW-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408571904 572257441 /nfs/dbraw/zinc/25/74/41/572257441.db2.gz DEBHPQARTNWZPC-UUYOSTAYSA-N 0 0 529.470 6.412 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1C ZINC000408572109 572257566 /nfs/dbraw/zinc/25/75/66/572257566.db2.gz FFQYNYWFJLKQKA-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408572195 572257679 /nfs/dbraw/zinc/25/76/79/572257679.db2.gz FOYZNQXBSYOMJO-OYKKKHCWSA-N 0 0 601.519 6.719 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c1 ZINC000408572390 572257792 /nfs/dbraw/zinc/25/77/92/572257792.db2.gz GQYHVJVDBUIZGH-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3)SC2=S)cc1 ZINC000408572378 572257813 /nfs/dbraw/zinc/25/78/13/572257813.db2.gz GNXNYLXDYDAFIA-UCQKPKSFSA-N 0 0 525.051 6.162 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408573225 572258605 /nfs/dbraw/zinc/25/86/05/572258605.db2.gz JEKBCERHXBCCBS-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408573707 572259087 /nfs/dbraw/zinc/25/90/87/572259087.db2.gz KABTVORRGJKPIC-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)c2)cc1 ZINC000408573695 572259112 /nfs/dbraw/zinc/25/91/12/572259112.db2.gz JVEPBELTHMWBBU-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000408573773 572259133 /nfs/dbraw/zinc/25/91/33/572259133.db2.gz KKTDVCMNNYGZEC-HAHDFKILSA-N 0 0 509.052 5.801 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408573740 572259185 /nfs/dbraw/zinc/25/91/85/572259185.db2.gz KEYUVYDDVPNMLU-UCQKPKSFSA-N 0 0 573.523 6.811 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000408574218 572259383 /nfs/dbraw/zinc/25/93/83/572259383.db2.gz LABFAZQORDZXFU-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000408574232 572259418 /nfs/dbraw/zinc/25/94/18/572259418.db2.gz LCQPYDQQULTQRY-UCQKPKSFSA-N 0 0 506.624 6.174 40 10 KKCBRN COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408574372 572259594 /nfs/dbraw/zinc/25/95/94/572259594.db2.gz MCDAWDMCCQRSEI-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408574759 572259831 /nfs/dbraw/zinc/25/98/31/572259831.db2.gz MPQZIDJXXTXRAN-NHDPSOOVSA-N 0 0 505.061 5.674 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000408574908 572260015 /nfs/dbraw/zinc/26/00/15/572260015.db2.gz GEYDTMQHIIWJEQ-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl ZINC000408575337 572260397 /nfs/dbraw/zinc/26/03/97/572260397.db2.gz NUTIJGSYVHBKGT-QRVIBDJDSA-N 0 0 509.052 6.067 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408575477 572260496 /nfs/dbraw/zinc/26/04/96/572260496.db2.gz LWLBSTIMSASDTD-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408576008 572260993 /nfs/dbraw/zinc/26/09/93/572260993.db2.gz PGRXZVOOVPUIEU-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1 ZINC000408576213 572261029 /nfs/dbraw/zinc/26/10/29/572261029.db2.gz UBVZLBDAPSTWGB-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000408577291 572261877 /nfs/dbraw/zinc/26/18/77/572261877.db2.gz SGBMZBGNMGVGHB-ULJHMMPZSA-N 0 0 504.633 5.157 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000408577220 572261919 /nfs/dbraw/zinc/26/19/19/572261919.db2.gz RXIUWIUPQMTEIF-XYGWBWBKSA-N 0 0 534.659 5.513 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408578263 572262804 /nfs/dbraw/zinc/26/28/04/572262804.db2.gz WZIFWDPWRBTGAQ-CFRMEGHHSA-N 0 0 539.078 6.076 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408578205 572262831 /nfs/dbraw/zinc/26/28/31/572262831.db2.gz WTJVLBQGKOLJKD-IWIPYMOSSA-N 0 0 583.529 6.267 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1 ZINC000408578202 572262846 /nfs/dbraw/zinc/26/28/46/572262846.db2.gz WSVPGNDDLRETSU-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c1C ZINC000408578411 572263026 /nfs/dbraw/zinc/26/30/26/572263026.db2.gz YEBHQURPSHSWDK-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1Cl ZINC000408600211 572272424 /nfs/dbraw/zinc/27/24/24/572272424.db2.gz XBIYTVCDMDQUJX-OCKHKDLRSA-N 0 0 512.878 6.552 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600237 572272435 /nfs/dbraw/zinc/27/24/35/572272435.db2.gz APDHWTMHIOAWTD-VXLYETTFSA-N 0 0 511.543 5.450 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408605041 572274302 /nfs/dbraw/zinc/27/43/02/572274302.db2.gz WNIYPENNFLWICM-PCLIKHOPSA-N 0 0 558.656 5.391 40 10 KKCBRN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(Cl)cc1 ZINC000253577128 572300488 /nfs/dbraw/zinc/30/04/88/572300488.db2.gz WRKGKFFSFJDRLJ-ROJLCIKYSA-N 0 0 628.511 8.222 40 10 KKCBRN CC[C@H](C)N1N=CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)[C@H]1O ZINC000253995278 572302038 /nfs/dbraw/zinc/30/20/38/572302038.db2.gz KHDVLIXZARJRJG-ZRXMDOIWSA-N 0 0 707.663 5.399 40 10 KKCBRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408651021 572303014 /nfs/dbraw/zinc/30/30/14/572303014.db2.gz GESDZZMFNVWVAS-KULMPIENSA-N 0 0 619.504 7.164 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000255961394 572304183 /nfs/dbraw/zinc/30/41/83/572304183.db2.gz XJVWZSUDCMTEDP-PXYKCODSSA-N 0 0 559.179 7.387 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408666635 572312180 /nfs/dbraw/zinc/31/21/80/572312180.db2.gz OFWYOIOBLOKXBT-UHFFFAOYSA-N 0 0 531.008 6.885 40 10 KKCBRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408667225 572312521 /nfs/dbraw/zinc/31/25/21/572312521.db2.gz PSPVEJJRMSOCPS-UHFFFAOYSA-N 0 0 512.562 5.931 40 10 KKCBRN CC1(C)Oc2cc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c(O)cc2[C@@H]2O[C@H](Cc3ccc(F)cc3)CC[C@H]21 ZINC000257270966 572312925 /nfs/dbraw/zinc/31/29/25/572312925.db2.gz MWIYRVDARQBJSF-UFPFOHJASA-N 0 0 609.138 6.158 40 10 KKCBRN CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408667821 572312932 /nfs/dbraw/zinc/31/29/32/572312932.db2.gz RJMXIIOTJQWOME-UHFFFAOYSA-N 0 0 510.590 6.485 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260572358 572322714 /nfs/dbraw/zinc/32/27/14/572322714.db2.gz UWAUZVWLXDKWNO-SUVVMJBMSA-N 0 0 556.526 6.625 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000260707630 572323011 /nfs/dbraw/zinc/32/30/11/572323011.db2.gz AKICHEZJESVPEK-SZPZYZBQSA-N 0 0 507.752 5.036 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(=O)OCC)CC3)=NC2=O)c1 ZINC000102687385 1069707221 /nfs/dbraw/zinc/70/72/21/1069707221.db2.gz LVCOZSLULBHMLM-LGUFXXKBSA-N 0 0 544.677 5.574 40 10 KKCBRN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@@H](O)Cn3c4ccccc4c4ccccc43)ccc21 ZINC000102416252 1069703081 /nfs/dbraw/zinc/70/30/81/1069703081.db2.gz XSLTYOQLKFGYLG-JOCHJYFZSA-N 0 0 590.657 5.415 40 10 KKCBRN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102993472 1069707884 /nfs/dbraw/zinc/70/78/84/1069707884.db2.gz XZAURKWUQOURLI-BUVRLJJBSA-N 0 0 571.680 5.914 40 10 KKCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccc(C(C)(C)C)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000102993443 1069707853 /nfs/dbraw/zinc/70/78/53/1069707853.db2.gz DWSKVKOYQXTFDZ-NCELDCMTSA-N 0 0 623.760 5.988 40 10 KKCBRN CCOC(=O)C1=C(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)S[C@@H]2CCCC[C@@H]12 ZINC000106956553 1069716208 /nfs/dbraw/zinc/71/62/08/1069716208.db2.gz OCOYFUKUEYWWIM-ZNZLWKLJSA-N 0 0 537.128 5.128 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727152 1069736443 /nfs/dbraw/zinc/73/64/43/1069736443.db2.gz QFMJSONWCKDLKJ-FAVIKPSQSA-N 0 0 717.629 6.281 40 10 KKCBRN CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000408740919 1069737083 /nfs/dbraw/zinc/73/70/83/1069737083.db2.gz FABZMNYMMOUROT-AWNIVKPZSA-N 0 0 509.106 5.026 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408763305 1069738524 /nfs/dbraw/zinc/73/85/24/1069738524.db2.gz OXDJFZIKTNJFFB-DEDYPNTBSA-N 0 0 561.071 6.809 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408867608 1069747633 /nfs/dbraw/zinc/74/76/33/1069747633.db2.gz JDEZHVVEMUWXPD-OYKKKHCWSA-N 0 0 555.622 7.085 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408841862 1069745362 /nfs/dbraw/zinc/74/53/62/1069745362.db2.gz IEGMKGKFENVZPS-HYARGMPZSA-N 0 0 526.228 6.445 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408846622 1069745970 /nfs/dbraw/zinc/74/59/70/1069745970.db2.gz QUCPZEUOTROFNQ-ZCTHSVRISA-N 0 0 681.594 7.253 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903245 1069751957 /nfs/dbraw/zinc/75/19/57/1069751957.db2.gz WJCQYNNDMHZHNR-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408883399 1069749936 /nfs/dbraw/zinc/74/99/36/1069749936.db2.gz UKXYAOHSGPWTAL-UHFFFAOYSA-N 0 0 660.533 6.936 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408903270 1069752844 /nfs/dbraw/zinc/75/28/44/1069752844.db2.gz WTJZOYOOFDJVRF-YDZHTSKRSA-N 0 0 570.486 6.561 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408929539 1069756275 /nfs/dbraw/zinc/75/62/75/1069756275.db2.gz KSFYAINMOXPSGT-WYMPLXKRSA-N 0 0 508.043 6.348 40 10 KKCBRN CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408978430 1069765635 /nfs/dbraw/zinc/76/56/35/1069765635.db2.gz ZVFUZMSCGWUYRM-UHFFFAOYSA-N 0 0 530.653 7.347 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409123061 1069779878 /nfs/dbraw/zinc/77/98/78/1069779878.db2.gz DLLMWHACMMGGIT-SUVVMJBMSA-N 0 0 554.535 6.211 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCC1CCCC1 ZINC000409133201 1069784576 /nfs/dbraw/zinc/78/45/76/1069784576.db2.gz PEAGRNIXHRUPQW-UQQQWYQISA-N 0 0 511.112 7.155 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409130593 1069781749 /nfs/dbraw/zinc/78/17/49/1069781749.db2.gz WQADLFAJWORJDF-HAHDFKILSA-N 0 0 507.681 5.601 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409184985 1069797369 /nfs/dbraw/zinc/79/73/69/1069797369.db2.gz JAUMFHLPMSFQTR-NTFVMDSBSA-N 0 0 641.529 6.443 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409193521 1069798164 /nfs/dbraw/zinc/79/81/64/1069798164.db2.gz FFSIOKHYFDTOLC-HMAPJEAMSA-N 0 0 522.608 5.653 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408769846 1069877791 /nfs/dbraw/zinc/87/77/91/1069877791.db2.gz PSTKWQDJTNXBBK-RIFKOAFWSA-N 0 0 596.127 6.527 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c1 ZINC000408770402 1069879202 /nfs/dbraw/zinc/87/92/02/1069879202.db2.gz XAQUQAYCVBATSO-HVDVVURSSA-N 0 0 609.151 5.943 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772622 1069885087 /nfs/dbraw/zinc/88/50/87/1069885087.db2.gz PXXDQJAAIPNBEM-UHFFFAOYSA-N 0 0 646.506 6.627 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)S2)cc1 ZINC000408785849 1069914757 /nfs/dbraw/zinc/91/47/57/1069914757.db2.gz IOGGAQLPVRRORP-DDIUQFJASA-N 0 0 527.665 6.974 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408781778 1069917045 /nfs/dbraw/zinc/91/70/45/1069917045.db2.gz DOOOPEUVIUYYTB-NNAGEYCMSA-N 0 0 519.695 5.788 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408801383 1069939568 /nfs/dbraw/zinc/93/95/68/1069939568.db2.gz AIXUAWKVWSQBLJ-HNASZGNDSA-N 0 0 519.134 8.110 40 10 KKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N2 ZINC000408824876 1070010959 /nfs/dbraw/zinc/01/09/59/1070010959.db2.gz BKKOTHJOWQOTIB-VHSZZVNMSA-N 0 0 534.450 7.040 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408828647 1070013888 /nfs/dbraw/zinc/01/38/88/1070013888.db2.gz NJUYHSLRBDAMKU-PECNEJNESA-N 0 0 682.242 6.837 40 10 KKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000408840089 1070042209 /nfs/dbraw/zinc/04/22/09/1070042209.db2.gz AXSUEZKABQJQMF-XSFVSMFZSA-N 0 0 512.201 6.055 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408842907 1070047028 /nfs/dbraw/zinc/04/70/28/1070047028.db2.gz LTPXRRJZFXDDJE-XSFVSMFZSA-N 0 0 523.839 7.160 40 10 KKCBRN O=c1c(=CC2=CC(=NNc3ccccc3)C=CC2=O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000408841177 1070043892 /nfs/dbraw/zinc/04/38/92/1070043892.db2.gz FWLJCGXXKVETNS-URZKQPAESA-N 0 0 546.677 6.501 40 10 KKCBRN COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2cccc(Br)c2)C1=O ZINC000408842808 1070046157 /nfs/dbraw/zinc/04/61/57/1070046157.db2.gz KYZXJAGAAYCOCV-DEDYPNTBSA-N 0 0 512.201 6.055 40 10 KKCBRN Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408843694 1070049013 /nfs/dbraw/zinc/04/90/13/1070049013.db2.gz RSHQBDPMSRSXAG-DEDYPNTBSA-N 0 0 507.840 7.460 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408844841 1070050986 /nfs/dbraw/zinc/05/09/86/1070050986.db2.gz WUMAHTUROIOGLH-SWYRRKHMSA-N 0 0 510.859 7.825 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408855630 1070074649 /nfs/dbraw/zinc/07/46/49/1070074649.db2.gz FGPJAXGGLJSKIS-LPYMAVHISA-N 0 0 500.472 7.595 40 10 KKCBRN Cc1cccc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408866642 1070086116 /nfs/dbraw/zinc/08/61/16/1070086116.db2.gz HORUMXBXIFEKSF-UHFFFAOYSA-N 0 0 504.611 6.322 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408868365 1070089607 /nfs/dbraw/zinc/08/96/07/1070089607.db2.gz PTYTYCOJJYJHNE-UHFFFAOYSA-N 0 0 555.055 6.676 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408869927 1070090642 /nfs/dbraw/zinc/09/06/42/1070090642.db2.gz QXZFQIYYXXGZQL-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408869268 1070091507 /nfs/dbraw/zinc/09/15/07/1070091507.db2.gz RVKINQJSAWIKAP-CVKSISIWSA-N 0 0 603.524 6.059 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408872606 1070097887 /nfs/dbraw/zinc/09/78/87/1070097887.db2.gz HDNPGLSMNYCFNT-UHFFFAOYSA-N 0 0 573.432 7.164 40 10 KKCBRN O=C1C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408878363 1070114286 /nfs/dbraw/zinc/11/42/86/1070114286.db2.gz AXUSPEVHBHZVMC-UHFFFAOYSA-N 0 0 558.634 7.306 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408878390 1070114290 /nfs/dbraw/zinc/11/42/90/1070114290.db2.gz AHGFTYVXTMQBON-LPYMAVHISA-N 0 0 508.933 5.144 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408877020 1070111345 /nfs/dbraw/zinc/11/13/45/1070111345.db2.gz SECQJNYLXUTFRV-UHFFFAOYSA-N 0 0 647.978 7.829 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC ZINC000408877927 1070113458 /nfs/dbraw/zinc/11/34/58/1070113458.db2.gz YFRKABGTJMNCTL-UHFFFAOYSA-N 0 0 582.394 5.672 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408884485 1070119178 /nfs/dbraw/zinc/11/91/78/1070119178.db2.gz ZNEMQTUUSJARLW-UHFFFAOYSA-N 0 0 627.560 7.402 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408881288 1070124209 /nfs/dbraw/zinc/12/42/09/1070124209.db2.gz IUCVWFCTPBILQH-UHFFFAOYSA-N 0 0 587.926 7.442 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408890241 1070132610 /nfs/dbraw/zinc/13/26/10/1070132610.db2.gz QFNDKWZJHHIUQT-UHFFFAOYSA-N 0 0 518.638 6.631 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408894064 1070141189 /nfs/dbraw/zinc/14/11/89/1070141189.db2.gz IPORZFVJJORLGG-UHFFFAOYSA-N 0 0 648.428 6.601 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408901000 1070165956 /nfs/dbraw/zinc/16/59/56/1070165956.db2.gz BLKPBAJYGVPVIP-FYJGNVAPSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408900920 1070166151 /nfs/dbraw/zinc/16/61/51/1070166151.db2.gz ABSPDTBMYJYDAL-SXBRIOAWSA-N 0 0 586.738 8.394 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C)cc2)c(I)c1 ZINC000408900957 1070166156 /nfs/dbraw/zinc/16/61/56/1070166156.db2.gz AOSZZTRVTRBVIZ-CIAFOILYSA-N 0 0 587.255 6.747 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408901223 1070166747 /nfs/dbraw/zinc/16/67/47/1070166747.db2.gz CFCDBFDCZOYHSV-RGVLZGJSSA-N 0 0 516.222 7.141 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408901682 1070169303 /nfs/dbraw/zinc/16/93/03/1070169303.db2.gz HESCSXHSYUHFLX-HYARGMPZSA-N 0 0 652.373 7.437 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408898406 1070174647 /nfs/dbraw/zinc/17/46/47/1070174647.db2.gz KZFIIRPULMOQCV-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902988 1070184968 /nfs/dbraw/zinc/18/49/68/1070184968.db2.gz TXERIRCHCBPVNJ-UDWIEESQSA-N 0 0 689.765 7.534 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 ZINC000408918994 1070233889 /nfs/dbraw/zinc/23/38/89/1070233889.db2.gz RMVCUZGKGHLXQO-OEAKJJBVSA-N 0 0 505.552 5.416 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408929944 1070258588 /nfs/dbraw/zinc/25/85/88/1070258588.db2.gz PZXHMHDPXFBVPP-UFFVCSGVSA-N 0 0 502.771 5.742 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934077 1070268656 /nfs/dbraw/zinc/26/86/56/1070268656.db2.gz LBXNSYPYPMIMGF-YEWMBUBISA-N 0 0 599.753 5.346 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc6ccccc65)c4C)c(=O)n32)cc1OCC ZINC000408934808 1070270535 /nfs/dbraw/zinc/27/05/35/1070270535.db2.gz MPAXQPXIGMRUEF-REVJZDEPSA-N 0 0 607.732 5.376 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000408942858 1070303734 /nfs/dbraw/zinc/30/37/34/1070303734.db2.gz RAKMZGAHNIRQGA-MFKUBSTISA-N 0 0 602.428 6.474 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408953601 1070316123 /nfs/dbraw/zinc/31/61/23/1070316123.db2.gz WSWITTHHVQMXBR-ZINCNNOSSA-N 0 0 710.680 6.548 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408953598 1070316276 /nfs/dbraw/zinc/31/62/76/1070316276.db2.gz WSWITTHHVQMXBR-RXDSJMIBSA-N 0 0 710.680 6.548 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Br)cc1 ZINC000408970666 1070335032 /nfs/dbraw/zinc/33/50/32/1070335032.db2.gz JWTYYJHMXVNPSS-MOSHPQCFSA-N 0 0 531.328 6.385 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408971315 1070335598 /nfs/dbraw/zinc/33/55/98/1070335598.db2.gz FXRKHZLMHYIFEV-STZFKDTASA-N 0 0 515.329 6.685 40 10 KKCBRN Cc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)cc1C ZINC000408975823 1070337227 /nfs/dbraw/zinc/33/72/27/1070337227.db2.gz NYEGXQCEXDSEAG-UHFFFAOYSA-N 0 0 592.724 8.759 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4C(=O)OC)C3=O)o2)cc1 ZINC000408983291 1070342717 /nfs/dbraw/zinc/34/27/17/1070342717.db2.gz ALAGLYVFQDDNEO-PTGBLXJZSA-N 0 0 505.526 5.991 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N(CC)CC)cc3)C2=O)cc1Br ZINC000408983403 1070342758 /nfs/dbraw/zinc/34/27/58/1070342758.db2.gz BNIBJJKLQKPIOT-PTGBLXJZSA-N 0 0 517.467 7.165 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Br)c(Cl)c1 ZINC000408985044 1070345288 /nfs/dbraw/zinc/34/52/88/1070345288.db2.gz KUVCGZIFQAKTFR-MHWRWJLKSA-N 0 0 505.626 7.881 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408991406 1070357962 /nfs/dbraw/zinc/35/79/62/1070357962.db2.gz NUXWEHQRYNCXPM-UHFFFAOYSA-N 0 0 539.663 6.789 40 10 KKCBRN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408990012 1070355089 /nfs/dbraw/zinc/35/50/89/1070355089.db2.gz JRGIGORHTYMTRE-UHFFFAOYSA-N 0 0 684.780 7.589 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408989298 1070362668 /nfs/dbraw/zinc/36/26/68/1070362668.db2.gz TVAUDJXJMIXLFH-XNENXQGPSA-N 0 0 619.743 5.360 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408995548 1070364131 /nfs/dbraw/zinc/36/41/31/1070364131.db2.gz AWIUGRNELAYURW-LCQSEVKBSA-N 0 0 609.670 5.623 40 10 KKCBRN Cc1nnc(Sc2ccc(C=C3C(=O)N(c4ccc(C)c(C)c4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408989082 1070361727 /nfs/dbraw/zinc/36/17/27/1070361727.db2.gz GWABOIBKULRJFF-UHFFFAOYSA-N 0 0 615.762 6.888 40 10 KKCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000408996982 1070366615 /nfs/dbraw/zinc/36/66/15/1070366615.db2.gz KWIBCMGCMXUTIF-CXUHLZMHSA-N 0 0 549.758 6.072 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408998179 1070372522 /nfs/dbraw/zinc/37/25/22/1070372522.db2.gz IHLRCMAZNPLAJW-XQNWCSQWSA-N 0 0 620.569 5.367 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409005527 1070381008 /nfs/dbraw/zinc/38/10/08/1070381008.db2.gz FNNBBFNDOMVIPD-NVMNQCDNSA-N 0 0 594.323 6.797 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC1=S ZINC000409007121 1070383216 /nfs/dbraw/zinc/38/32/16/1070383216.db2.gz NYZPXBFZWIQXLC-SXGWCWSVSA-N 0 0 652.273 5.604 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409009153 1070386544 /nfs/dbraw/zinc/38/65/44/1070386544.db2.gz BSKDVOQVMOFBLC-MFKUBSTISA-N 0 0 599.503 5.521 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011410 1070388909 /nfs/dbraw/zinc/38/89/09/1070388909.db2.gz GMAUGCMJEYGRGF-BUVRLJJBSA-N 0 0 534.468 6.560 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409011299 1070388961 /nfs/dbraw/zinc/38/89/61/1070388961.db2.gz GYJTZZWKZRKSAV-ZVHZXABRSA-N 0 0 581.547 5.047 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409018208 1070392696 /nfs/dbraw/zinc/39/26/96/1070392696.db2.gz RFELQZVZYHXCEN-NTNOMAAHSA-N 0 0 649.744 5.577 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409018529 1070393451 /nfs/dbraw/zinc/39/34/51/1070393451.db2.gz WOKMHMQRTSSPAY-GTECVEHGSA-N 0 0 673.835 6.562 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409018771 1070396802 /nfs/dbraw/zinc/39/68/02/1070396802.db2.gz UNEPFAICMDHXSS-DUCIMOQJSA-N 0 0 639.818 6.204 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409017142 1070397085 /nfs/dbraw/zinc/39/70/85/1070397085.db2.gz VDAIGCNKTARVJX-AJBULDERSA-N 0 0 647.149 6.600 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409016790 1070397133 /nfs/dbraw/zinc/39/71/33/1070397133.db2.gz VSUJWGBZVHCJOB-WSDLNYQXSA-N 0 0 588.831 5.372 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023892 1070401440 /nfs/dbraw/zinc/40/14/40/1070401440.db2.gz MFURQZBTVAMBED-GSTVVXAASA-N 0 0 651.188 6.030 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409018947 1070402143 /nfs/dbraw/zinc/40/21/43/1070402143.db2.gz XPCYWHWTUIHIFF-NNAGEYCMSA-N 0 0 564.736 5.651 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409019322 1070402329 /nfs/dbraw/zinc/40/23/29/1070402329.db2.gz YTFLKUYGTRXOAU-WOJGMQOQSA-N 0 0 582.328 7.064 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023894 1070402375 /nfs/dbraw/zinc/40/23/75/1070402375.db2.gz MFURQZBTVAMBED-SAGCDJCOSA-N 0 0 651.188 6.030 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409019701 1070403053 /nfs/dbraw/zinc/40/30/53/1070403053.db2.gz WHDRHUYJFRRIJL-DGBHDHARSA-N 0 0 689.834 6.225 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029879 1070411687 /nfs/dbraw/zinc/41/16/87/1070411687.db2.gz BWESGLMRLFGFMF-GBYBJYLOSA-N 0 0 612.708 5.715 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409029849 1070411723 /nfs/dbraw/zinc/41/17/23/1070411723.db2.gz CPTBJVVAKKGEIU-CHHVJCJISA-N 0 0 557.302 7.083 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409025506 1070408963 /nfs/dbraw/zinc/40/89/63/1070408963.db2.gz WBZAVTOJGFKINF-ZDLGFXPLSA-N 0 0 556.809 5.029 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409032901 1070420778 /nfs/dbraw/zinc/42/07/78/1070420778.db2.gz DTGCZVZQYPLTQQ-MKMNVTDBSA-N 0 0 545.266 7.213 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409039532 1070431285 /nfs/dbraw/zinc/43/12/85/1070431285.db2.gz GXNVTFOYCSWMBC-JAIQZWGSSA-N 0 0 540.932 6.937 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000409036478 1070437686 /nfs/dbraw/zinc/43/76/86/1070437686.db2.gz LILPUIWGTKOQAY-UDWIEESQSA-N 0 0 587.342 7.683 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409036547 1070437698 /nfs/dbraw/zinc/43/76/98/1070437698.db2.gz RPYJRHFGFRHUDH-LZYBPNLTSA-N 0 0 673.332 6.679 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409037549 1070440289 /nfs/dbraw/zinc/44/02/89/1070440289.db2.gz CXUPFPKBBUOQAC-YVLHZVERSA-N 0 0 503.383 5.675 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409042466 1070447499 /nfs/dbraw/zinc/44/74/99/1070447499.db2.gz KYFBZGYGRULKNO-VIZOYTHASA-N 0 0 540.847 6.568 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000409043990 1070450942 /nfs/dbraw/zinc/45/09/42/1070450942.db2.gz GFARLOVHSXZXPJ-RUDMXATFSA-N 0 0 532.208 6.663 40 10 KKCBRN CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409045394 1070453788 /nfs/dbraw/zinc/45/37/88/1070453788.db2.gz YGKFSHUMCGKBTE-LZYBPNLTSA-N 0 0 512.187 5.457 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409046320 1070455273 /nfs/dbraw/zinc/45/52/73/1070455273.db2.gz JXCURVVGGCSSGT-CHHVJCJISA-N 0 0 561.721 7.727 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)SC1=S ZINC000409050013 1070464559 /nfs/dbraw/zinc/46/45/59/1070464559.db2.gz RZTPOHFCJMRFGP-UWVJOHFNSA-N 0 0 578.324 7.034 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409051804 1070467419 /nfs/dbraw/zinc/46/74/19/1070467419.db2.gz GKNCMCBPPPSUTJ-UUYOSTAYSA-N 0 0 607.364 7.640 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409051733 1070467431 /nfs/dbraw/zinc/46/74/31/1070467431.db2.gz BLQARFWFUSXSMZ-XYGWBWBKSA-N 0 0 535.040 5.680 40 10 KKCBRN Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409056391 1070468814 /nfs/dbraw/zinc/46/88/14/1070468814.db2.gz DJFHTVLBYGKRHQ-KRWDZBQOSA-N 0 0 517.116 6.914 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409060644 1070473607 /nfs/dbraw/zinc/47/36/07/1070473607.db2.gz RWNKBSLBWMFXPR-ONUIUJJFSA-N 0 0 512.606 5.765 40 10 KKCBRN O=C1C(=Cc2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409062904 1070478285 /nfs/dbraw/zinc/47/82/85/1070478285.db2.gz CPVISGBASQILDO-UHFFFAOYSA-N 0 0 530.968 5.810 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409075361 1070488370 /nfs/dbraw/zinc/48/83/70/1070488370.db2.gz XJZWHZZPZZTIRE-LQKURTRISA-N 0 0 513.544 6.044 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409079846 1070501596 /nfs/dbraw/zinc/50/15/96/1070501596.db2.gz BSIILZXOMVQJEK-CEUNXORHSA-N 0 0 589.489 8.024 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084031 1070509407 /nfs/dbraw/zinc/50/94/07/1070509407.db2.gz OZTFMPSPOXSTAM-BWAHOGKJSA-N 0 0 527.393 7.002 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409086246 1070509439 /nfs/dbraw/zinc/50/94/39/1070509439.db2.gz UWMYGHIIUWGDHA-MHWRWJLKSA-N 0 0 601.753 5.686 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409087910 1070521291 /nfs/dbraw/zinc/52/12/91/1070521291.db2.gz UZRKITCOGPAWTE-DMOKECBHSA-N 0 0 606.334 6.557 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409088493 1070522286 /nfs/dbraw/zinc/52/22/86/1070522286.db2.gz KBIAFEMEVGUADK-SOFYTKRASA-N 0 0 599.366 6.179 40 10 KKCBRN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409089654 1070523936 /nfs/dbraw/zinc/52/39/36/1070523936.db2.gz NJUOWRQJLHHNLG-ULJHMMPZSA-N 0 0 593.886 6.705 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409099107 1070532306 /nfs/dbraw/zinc/53/23/06/1070532306.db2.gz QIGSMHXKQYPVPB-TURZUDJPSA-N 0 0 556.684 7.816 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 ZINC000409107932 1070542296 /nfs/dbraw/zinc/54/22/96/1070542296.db2.gz YHEJBQROJSCGDB-OEAKJJBVSA-N 0 0 510.015 5.821 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409125612 1070553112 /nfs/dbraw/zinc/55/31/12/1070553112.db2.gz DHDMXONAKNZWIB-QQXSKIMKSA-N 0 0 566.611 5.093 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000409129717 1070556718 /nfs/dbraw/zinc/55/67/18/1070556718.db2.gz SEBVTVNBLXXFHM-QFEZKATASA-N 0 0 500.601 5.855 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409138474 1070562247 /nfs/dbraw/zinc/56/22/47/1070562247.db2.gz CHOIFGDYMBFRCX-YSMPRRRNSA-N 0 0 551.564 8.003 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409139890 1070563480 /nfs/dbraw/zinc/56/34/80/1070563480.db2.gz GGCAKKXTBZGZNQ-ZVHZXABRSA-N 0 0 539.078 6.091 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147197 1070565674 /nfs/dbraw/zinc/56/56/74/1070565674.db2.gz WSJOVLDSNKUYDJ-FOKLQQMPSA-N 0 0 756.469 6.924 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142518 1070569990 /nfs/dbraw/zinc/56/99/90/1070569990.db2.gz DHCNFSJOQDHXTI-KBKYJPHKSA-N 0 0 580.150 6.931 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145761 1070573165 /nfs/dbraw/zinc/57/31/65/1070573165.db2.gz PMYWTEWSPAQQRV-WYMPLXKRSA-N 0 0 522.667 5.854 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000409145511 1070573269 /nfs/dbraw/zinc/57/32/69/1070573269.db2.gz QBNDZFLORXOCDK-YSMPRRRNSA-N 0 0 516.663 6.801 40 10 KKCBRN O=C1[C@H](Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409161676 1070581003 /nfs/dbraw/zinc/58/10/03/1070581003.db2.gz OUCJMPQCNCDUJU-NRFANRHFSA-N 0 0 613.343 7.040 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409173571 1070588981 /nfs/dbraw/zinc/58/89/81/1070588981.db2.gz JWHZGZNILDYYTC-IMWIBFENSA-N 0 0 559.273 7.765 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409173778 1070589381 /nfs/dbraw/zinc/58/93/81/1070589381.db2.gz KAGJFKYDJNYRLA-JFLMPSFJSA-N 0 0 608.116 6.227 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176674 1070591549 /nfs/dbraw/zinc/59/15/49/1070591549.db2.gz URKMLWDESAUPDV-IFRROFPPSA-N 0 0 682.645 9.296 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409179069 1070594601 /nfs/dbraw/zinc/59/46/01/1070594601.db2.gz MXOIUUJXSHRNBQ-APSNUPSMSA-N 0 0 593.823 5.050 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409180223 1070597386 /nfs/dbraw/zinc/59/73/86/1070597386.db2.gz QIEVDKDNYNFSIY-HZHRSRAPSA-N 0 0 535.603 5.119 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185208 1070604769 /nfs/dbraw/zinc/60/47/69/1070604769.db2.gz KHBCOJZUKGDMAW-UUGNFUGJSA-N 0 0 714.638 6.394 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185751 1070605382 /nfs/dbraw/zinc/60/53/82/1070605382.db2.gz PMHLNRXZGLPOCJ-ZTMQQJRHSA-N 0 0 685.806 7.396 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185858 1070605438 /nfs/dbraw/zinc/60/54/38/1070605438.db2.gz RNWTWKRDBNQODV-UPQXCOSDSA-N 0 0 615.677 7.099 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186210 1070606158 /nfs/dbraw/zinc/60/61/58/1070606158.db2.gz YVQLPLHIMBKGPH-HMULSRIRSA-N 0 0 905.596 8.868 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)o2)ccc1Cl ZINC000409196435 1070616502 /nfs/dbraw/zinc/61/65/02/1070616502.db2.gz VFPQOEALSQZMQU-IWIPYMOSSA-N 0 0 520.031 7.336 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409196945 1070617176 /nfs/dbraw/zinc/61/71/76/1070617176.db2.gz SZOIRONRKCPMCV-RPPGKUMJSA-N 0 0 716.998 6.549 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409197935 1070618728 /nfs/dbraw/zinc/61/87/28/1070618728.db2.gz SGBMLAPLPXMGRV-XKZIYDEJSA-N 0 0 561.498 6.522 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)c2C)cc1 ZINC000409207486 1070623055 /nfs/dbraw/zinc/62/30/55/1070623055.db2.gz VCECXPYZQOLQLL-MSXFZWOLSA-N 0 0 521.708 5.552 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)c(Cl)c1 ZINC000409204532 1070630283 /nfs/dbraw/zinc/63/02/83/1070630283.db2.gz IEZPZJCQAKZIAU-ODLFYWEKSA-N 0 0 526.983 5.290 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409205179 1070631101 /nfs/dbraw/zinc/63/11/01/1070631101.db2.gz OEHFNKYEJORLRF-KEBDBYFISA-N 0 0 674.661 8.612 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409205372 1070631894 /nfs/dbraw/zinc/63/18/94/1070631894.db2.gz HSPCYHJAYDQDTP-BUVRLJJBSA-N 0 0 501.589 6.034 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223160 1070650144 /nfs/dbraw/zinc/65/01/44/1070650144.db2.gz FGNMEEMGZCUQIV-UHFFFAOYSA-N 0 0 616.457 6.603 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000409223480 1070650268 /nfs/dbraw/zinc/65/02/68/1070650268.db2.gz FYHLTFXVEKENJQ-YSMPRRRNSA-N 0 0 583.131 6.869 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409228097 1070645550 /nfs/dbraw/zinc/64/55/50/1070645550.db2.gz UCDLHTSTFYVYIG-FSJBWODESA-N 0 0 555.860 5.604 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2Cl)c(C)c1 ZINC000409220642 1070647884 /nfs/dbraw/zinc/64/78/84/1070647884.db2.gz CPPAJVWXXDAMAQ-FMCGGJTJSA-N 0 0 577.049 7.399 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409236805 1070652673 /nfs/dbraw/zinc/65/26/73/1070652673.db2.gz HPFXTORWNAZIBC-CFRMEGHHSA-N 0 0 553.105 6.697 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)SC1=S ZINC000409233743 1070659103 /nfs/dbraw/zinc/65/91/03/1070659103.db2.gz WMSAGBSOYOOKOK-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409234158 1070659999 /nfs/dbraw/zinc/65/99/99/1070659999.db2.gz MOFNYQJJCJOKCQ-FMCGGJTJSA-N 0 0 569.060 5.496 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409235615 1070661327 /nfs/dbraw/zinc/66/13/27/1070661327.db2.gz PHKUWTPDEWQJRT-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409235516 1070661343 /nfs/dbraw/zinc/66/13/43/1070661343.db2.gz BSHFRBYGVIIJEJ-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409235203 1070661374 /nfs/dbraw/zinc/66/13/74/1070661374.db2.gz ODEYQZOQTFHRJK-BRPDVVIDSA-N 0 0 582.703 7.301 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1Cl ZINC000409245337 1070662625 /nfs/dbraw/zinc/66/26/25/1070662625.db2.gz RCFHVZMSSLGRPZ-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)c1 ZINC000409241619 1070669162 /nfs/dbraw/zinc/66/91/62/1070669162.db2.gz KNNSDIQQRUAVFX-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409241723 1070669208 /nfs/dbraw/zinc/66/92/08/1070669208.db2.gz UDHVECHATBHZJA-IWIPYMOSSA-N 0 0 554.093 5.838 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)SC1=S ZINC000409241952 1070669246 /nfs/dbraw/zinc/66/92/46/1070669246.db2.gz ZMRNOISXXIUTFS-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000409242619 1070670714 /nfs/dbraw/zinc/67/07/14/1070670714.db2.gz XEJNTXSHQJYYIU-JLPGSUDCSA-N 0 0 581.557 6.527 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409247877 1070664777 /nfs/dbraw/zinc/66/47/77/1070664777.db2.gz DGHLBIUHIFULAL-XYGWBWBKSA-N 0 0 533.675 5.493 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409249947 1070666368 /nfs/dbraw/zinc/66/63/68/1070666368.db2.gz KEDAPXJGAXUGBZ-IWIPYMOSSA-N 0 0 539.078 6.334 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1C ZINC000409254529 1070672671 /nfs/dbraw/zinc/67/26/71/1070672671.db2.gz DZOJNRSNILLEHX-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409255401 1070674091 /nfs/dbraw/zinc/67/40/91/1070674091.db2.gz HTOQWQGXSKMFJQ-NAGKPISUSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409255610 1070674811 /nfs/dbraw/zinc/67/48/11/1070674811.db2.gz HZESXDYSDOYZSB-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409253883 1070686798 /nfs/dbraw/zinc/68/67/98/1070686798.db2.gz CDRQWJWNKUPWCW-UCQKPKSFSA-N 0 0 541.050 5.781 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409251117 1070681129 /nfs/dbraw/zinc/68/11/29/1070681129.db2.gz OMSFXGPSBWRNIB-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)cc2OC)cc1 ZINC000409268402 1070693358 /nfs/dbraw/zinc/69/33/58/1070693358.db2.gz ZNPMRDWULZSBLV-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409260434 1070695529 /nfs/dbraw/zinc/69/55/29/1070695529.db2.gz QGMYCDXDYJQSMT-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409260418 1070695567 /nfs/dbraw/zinc/69/55/67/1070695567.db2.gz QBJGLGAMCFZEOP-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2OC)cc1 ZINC000409269151 1070703259 /nfs/dbraw/zinc/70/32/59/1070703259.db2.gz GATFXXVJPQQYIR-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)ccc1Br ZINC000409273154 1070711967 /nfs/dbraw/zinc/71/19/67/1070711967.db2.gz VXHZPTCCJVNYTB-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879793 1070791187 /nfs/dbraw/zinc/79/11/87/1070791187.db2.gz FRIZSYZXXAIPPQ-UHFFFAOYSA-N 0 0 535.581 5.922 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408880715 1070787105 /nfs/dbraw/zinc/78/71/05/1070787105.db2.gz IGQPUKVCLPPEHP-UHFFFAOYSA-N 0 0 614.477 6.685 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408880507 1070787665 /nfs/dbraw/zinc/78/76/65/1070787665.db2.gz IBKDNINHMBRQMS-UHFFFAOYSA-N 0 0 548.664 6.639 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408879392 1070794661 /nfs/dbraw/zinc/79/46/61/1070794661.db2.gz FQYCDENTIOZXIJ-UHFFFAOYSA-N 0 0 556.977 6.650 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408879462 1070794897 /nfs/dbraw/zinc/79/48/97/1070794897.db2.gz DOYMIDSGSGMYIA-UHFFFAOYSA-N 0 0 603.052 6.008 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408878245 1070801228 /nfs/dbraw/zinc/80/12/28/1070801228.db2.gz YTMLVFBIKQHHPS-UXHLAJHPSA-N 0 0 651.568 7.163 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408878851 1070798160 /nfs/dbraw/zinc/79/81/60/1070798160.db2.gz COCREBMSVITEGG-UHFFFAOYSA-N 0 0 694.978 7.671 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408878867 1070798669 /nfs/dbraw/zinc/79/86/69/1070798669.db2.gz CWYVLDQAGMQGDT-BUEREQSYSA-N 0 0 559.331 8.787 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408878422 1070799957 /nfs/dbraw/zinc/79/99/57/1070799957.db2.gz ANVABNTZRKERHS-QFEZKATASA-N 0 0 535.438 5.738 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408878071 1070802182 /nfs/dbraw/zinc/80/21/82/1070802182.db2.gz ZIJKNEMDJCXCHE-UHFFFAOYSA-N 0 0 524.576 7.002 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408877652 1070806174 /nfs/dbraw/zinc/80/61/74/1070806174.db2.gz XEXZLFUYXABEAZ-UXHLAJHPSA-N 0 0 695.621 7.167 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328343 1070829715 /nfs/dbraw/zinc/82/97/15/1070829715.db2.gz SMKKDVVRXLJROA-UUYOSTAYSA-N 0 0 595.367 8.139 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)c1 ZINC000409328561 1070829889 /nfs/dbraw/zinc/82/98/89/1070829889.db2.gz XOTPDPQUCXKYGS-XYGWBWBKSA-N 0 0 502.661 6.542 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409329365 1070831179 /nfs/dbraw/zinc/83/11/79/1070831179.db2.gz FLNPYGCWEUAIBL-LPYMAVHISA-N 0 0 546.548 7.210 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409330273 1070833234 /nfs/dbraw/zinc/83/32/34/1070833234.db2.gz KMQDITHSVBWAII-HAHDFKILSA-N 0 0 603.503 6.683 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408896118 1070835213 /nfs/dbraw/zinc/83/52/13/1070835213.db2.gz MYCSAZZFKCMTRF-UHFFFAOYSA-N 0 0 532.596 6.474 40 10 KKCBRN O=C1NC(=S)S/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409332954 1070837693 /nfs/dbraw/zinc/83/76/93/1070837693.db2.gz SRKIARIWRCOLSB-NSIKDUERSA-N 0 0 505.293 5.657 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408895597 1070843351 /nfs/dbraw/zinc/84/33/51/1070843351.db2.gz LMHJSGQIEPTIEK-UHFFFAOYSA-N 0 0 617.496 6.924 40 10 KKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409326369 1070844742 /nfs/dbraw/zinc/84/47/42/1070844742.db2.gz AZRJVFQKENGQSR-FGHSJCFPSA-N 0 0 512.878 6.694 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1C1CCCCC1 ZINC000409339749 1070844974 /nfs/dbraw/zinc/84/49/74/1070844974.db2.gz XRCUPOWIUMAUKL-NDENLUEZSA-N 0 0 508.543 6.940 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409339628 1070845405 /nfs/dbraw/zinc/84/54/05/1070845405.db2.gz XHRZUTQIBMQWSD-RQZCQDPDSA-N 0 0 514.850 5.924 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409342582 1070849740 /nfs/dbraw/zinc/84/97/40/1070849740.db2.gz DPMCPLLTJIZCMA-YDZHTSKRSA-N 0 0 621.949 7.555 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342720 1070850468 /nfs/dbraw/zinc/85/04/68/1070850468.db2.gz GDLRXGBJEOMPLX-UCQKPKSFSA-N 0 0 632.501 6.891 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409342878 1070850728 /nfs/dbraw/zinc/85/07/28/1070850728.db2.gz FRQMYTSXUOKCAX-YDZHTSKRSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409344345 1070852603 /nfs/dbraw/zinc/85/26/03/1070852603.db2.gz JAUZGCZITLYPQU-OVCLIPMQSA-N 0 0 593.249 5.619 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1Cl ZINC000409334730 1070853883 /nfs/dbraw/zinc/85/38/83/1070853883.db2.gz XLLFZWVWCJETKJ-MRUKODCESA-N 0 0 578.071 6.077 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409334948 1070853950 /nfs/dbraw/zinc/85/39/50/1070853950.db2.gz XAWRFJCHTZEVMN-ZDLGFXPLSA-N 0 0 554.509 5.527 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409334904 1070854102 /nfs/dbraw/zinc/85/41/02/1070854102.db2.gz XYHDCEQUQBJUID-XKZIYDEJSA-N 0 0 591.467 6.732 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409338411 1070860703 /nfs/dbraw/zinc/86/07/03/1070860703.db2.gz JLZMUIZIKAJTRL-FBHDLOMBSA-N 0 0 626.303 6.681 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409338297 1070860749 /nfs/dbraw/zinc/86/07/49/1070860749.db2.gz HLDWGKMBKFBSLK-MTJSOVHGSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409338472 1070860835 /nfs/dbraw/zinc/86/08/35/1070860835.db2.gz KNWAVJXSYCJRMH-MTJSOVHGSA-N 0 0 564.885 7.235 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409347443 1070864438 /nfs/dbraw/zinc/86/44/38/1070864438.db2.gz PWODFWAYCWCGHY-FSJBWODESA-N 0 0 569.642 6.822 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409347664 1070864543 /nfs/dbraw/zinc/86/45/43/1070864543.db2.gz QVGNOVDTBQONSU-MTJSOVHGSA-N 0 0 516.522 7.120 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)c1 ZINC000409348132 1070865188 /nfs/dbraw/zinc/86/51/88/1070865188.db2.gz RJYJKWLHLLZELC-SRZZPIQSSA-N 0 0 701.414 7.603 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409348404 1070865505 /nfs/dbraw/zinc/86/55/05/1070865505.db2.gz SNJHYIXLWKORGG-DICXZTSXSA-N 0 0 566.531 8.530 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409353024 1070871649 /nfs/dbraw/zinc/87/16/49/1070871649.db2.gz ZYPOTLRAHIJTEQ-UCQKPKSFSA-N 0 0 542.476 6.451 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000408893269 1070867063 /nfs/dbraw/zinc/86/70/63/1070867063.db2.gz LSIPAOQDPFNEDA-UHFFFAOYSA-N 0 0 523.408 5.302 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409350255 1070868309 /nfs/dbraw/zinc/86/83/09/1070868309.db2.gz XJJNGHNGLQFTBC-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409350805 1070868876 /nfs/dbraw/zinc/86/88/76/1070868876.db2.gz SGNABKANUUWSOX-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409350906 1070869051 /nfs/dbraw/zinc/86/90/51/1070869051.db2.gz SUGNRWDMZMJEOV-ZBKNUEDVSA-N 0 0 650.281 8.881 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC ZINC000409352629 1070871017 /nfs/dbraw/zinc/87/10/17/1070871017.db2.gz XLSWCQIAQHTARS-OQLLNIDSSA-N 0 0 515.248 5.635 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409345701 1070877378 /nfs/dbraw/zinc/87/73/78/1070877378.db2.gz IZINNVGJTDWFNR-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409356272 1070882984 /nfs/dbraw/zinc/88/29/84/1070882984.db2.gz FZKWRJFEJDAPBM-VULFUBBASA-N 0 0 541.654 5.719 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408905627 1070898910 /nfs/dbraw/zinc/89/89/10/1070898910.db2.gz ZYRBGEHGEHSNAV-LPYMAVHISA-N 0 0 536.382 6.141 40 10 KKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409367497 1070890707 /nfs/dbraw/zinc/89/07/07/1070890707.db2.gz BYDKQIZFSWVWGG-ZTPSMGMTSA-N 0 0 526.467 6.117 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409369570 1070892853 /nfs/dbraw/zinc/89/28/53/1070892853.db2.gz DDZSTZOBUMFRAG-GRSHGNNSSA-N 0 0 523.430 5.556 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409371257 1070894803 /nfs/dbraw/zinc/89/48/03/1070894803.db2.gz GNYOWFXCSQJJMQ-SSDVNMTOSA-N 0 0 687.852 8.325 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000409371899 1070895222 /nfs/dbraw/zinc/89/52/22/1070895222.db2.gz JLOHCNBQHRCJRS-KSEXSDGBSA-N 0 0 571.486 7.073 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905771 1070898438 /nfs/dbraw/zinc/89/84/38/1070898438.db2.gz DPBCCSAWJDHRQE-UZWMFBFFSA-N 0 0 610.732 6.473 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408904401 1070900649 /nfs/dbraw/zinc/90/06/49/1070900649.db2.gz IYDLQWYVUHECOL-OEAKJJBVSA-N 0 0 595.437 5.822 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408903545 1070903993 /nfs/dbraw/zinc/90/39/93/1070903993.db2.gz ZNHJCLMRRSJUSP-LPYMAVHISA-N 0 0 525.830 6.886 40 10 KKCBRN O=C1/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000408903533 1070904100 /nfs/dbraw/zinc/90/41/00/1070904100.db2.gz ZHYAJBFHJBCDJO-ANYBSYGZSA-N 0 0 559.672 8.125 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(I)cc1 ZINC000408903194 1070905504 /nfs/dbraw/zinc/90/55/04/1070905504.db2.gz VLSUJIQGDWOHIN-CIAFOILYSA-N 0 0 603.254 6.447 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408902981 1070905968 /nfs/dbraw/zinc/90/59/68/1070905968.db2.gz TUOPMXDBYMTUPL-RGVLZGJSSA-N 0 0 563.222 6.983 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903103 1070906763 /nfs/dbraw/zinc/90/67/63/1070906763.db2.gz UNLZUGXMZWYPDO-UDWIEESQSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902914 1070908117 /nfs/dbraw/zinc/90/81/17/1070908117.db2.gz SBGZYQYYJGLPNE-KEBDBYFISA-N 0 0 724.210 8.187 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)SC(=S)N1c1ccccc1 ZINC000408902685 1070908490 /nfs/dbraw/zinc/90/84/90/1070908490.db2.gz PXAHRFVLBBAUHG-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408902749 1070909284 /nfs/dbraw/zinc/90/92/84/1070909284.db2.gz QXUWNQDJPRXOPJ-PCLIKHOPSA-N 0 0 518.059 7.487 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000408902331 1070912577 /nfs/dbraw/zinc/91/25/77/1070912577.db2.gz NBVDITFDSGIGTL-LPYMAVHISA-N 0 0 509.375 6.372 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408901906 1070916036 /nfs/dbraw/zinc/91/60/36/1070916036.db2.gz IRXWVBCXGJVVND-HYARGMPZSA-N 0 0 543.451 6.584 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408901844 1070916045 /nfs/dbraw/zinc/91/60/45/1070916045.db2.gz HUUVZPIDUQONOG-FYJGNVAPSA-N 0 0 577.440 6.424 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000408901366 1070920296 /nfs/dbraw/zinc/92/02/96/1070920296.db2.gz DQJXXWFWDUHPTM-DEDYPNTBSA-N 0 0 528.777 6.330 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408901406 1070920772 /nfs/dbraw/zinc/92/07/72/1070920772.db2.gz FAMJSXJCWQOHKD-RGVLZGJSSA-N 0 0 665.225 6.189 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901475 1070921237 /nfs/dbraw/zinc/92/12/37/1070921237.db2.gz FRZZSNKZWYFUBZ-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408900977 1070926617 /nfs/dbraw/zinc/92/66/17/1070926617.db2.gz BABDEQOAUGTOKN-UDWIEESQSA-N 0 0 606.317 7.105 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3cccc([C@@H]4OC[C@@H](c5ccc(Cl)cc5)C[C@H]4C(C)C)c3)CC2)cc1 ZINC000585292380 1071045920 /nfs/dbraw/zinc/04/59/20/1071045920.db2.gz IITHMAGPANNQHE-CTVJOPNHSA-N 0 0 563.138 6.594 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408911116 1071064748 /nfs/dbraw/zinc/06/47/48/1071064748.db2.gz JDWDQSCEFLISHM-OGEXXFCLSA-N 0 0 705.643 6.318 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920690 1071100839 /nfs/dbraw/zinc/10/08/39/1071100839.db2.gz KLTNHRCDJMNESK-SJXDCSIJSA-N 0 0 695.623 5.908 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408919895 1071114224 /nfs/dbraw/zinc/11/42/24/1071114224.db2.gz DZJRFFDXEBNCEZ-HZHHUVPKSA-N 0 0 625.194 5.829 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408918441 1071136233 /nfs/dbraw/zinc/13/62/33/1071136233.db2.gz KNLWCGYMRVLZET-JAIQZWGSSA-N 0 0 600.422 5.305 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408927717 1071192881 /nfs/dbraw/zinc/19/28/81/1071192881.db2.gz XHEACAWKBVFLAJ-WOSHRIRTSA-N 0 0 611.764 5.506 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cccc(OC)c3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408927705 1071192942 /nfs/dbraw/zinc/19/29/42/1071192942.db2.gz XELQESUWCHUYSX-GWXNNEATSA-N 0 0 661.780 5.528 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000408936564 1071209010 /nfs/dbraw/zinc/20/90/10/1071209010.db2.gz GQKVCGBNDCZRHI-MFKUBSTISA-N 0 0 555.428 6.632 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208705075 1071213691 /nfs/dbraw/zinc/21/36/91/1071213691.db2.gz JAGUFTYSNORUPR-FBHDLOMBSA-N 0 0 626.337 7.658 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000208672583 1071212383 /nfs/dbraw/zinc/21/23/83/1071212383.db2.gz OHKQCHVQOSNJJD-FMCGGJTJSA-N 0 0 532.470 6.995 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197320412 1071212425 /nfs/dbraw/zinc/21/24/25/1071212425.db2.gz WZHYUMUMOKVZKC-DBXPASCUSA-N 0 0 542.502 5.147 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000208697514 1071212978 /nfs/dbraw/zinc/21/29/78/1071212978.db2.gz NUWRAOJVYPJOJD-OYKKKHCWSA-N 0 0 629.370 8.489 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccn4)c(OC)c3)SC2=S)cc1 ZINC000208697112 1071213001 /nfs/dbraw/zinc/21/30/01/1071213001.db2.gz MNMCFFOSWMCDKH-BKUYFWCQSA-N 0 0 543.464 5.846 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000208698423 1071213018 /nfs/dbraw/zinc/21/30/18/1071213018.db2.gz JJMJFBJPGVOWOL-FBHDLOMBSA-N 0 0 540.415 7.997 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000208697069 1071213107 /nfs/dbraw/zinc/21/31/07/1071213107.db2.gz FMRQBLLFLGRMEV-JAIQZWGSSA-N 0 0 547.883 6.491 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408935024 1071227962 /nfs/dbraw/zinc/22/79/62/1071227962.db2.gz CARZLXDLDCFDSJ-KOEQRZSOSA-N 0 0 525.402 6.623 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408933118 1071245022 /nfs/dbraw/zinc/24/50/22/1071245022.db2.gz HSEMMRYBRDGWBH-SLWVDZFMSA-N 0 0 710.834 6.282 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408947138 1071263658 /nfs/dbraw/zinc/26/36/58/1071263658.db2.gz ZPTSDMBYMWIFQW-LPYMAVHISA-N 0 0 553.840 6.522 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000408946579 1071269207 /nfs/dbraw/zinc/26/92/07/1071269207.db2.gz YXVCWAHHACIVOJ-HYARGMPZSA-N 0 0 519.395 5.869 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408945755 1071274836 /nfs/dbraw/zinc/27/48/36/1071274836.db2.gz XDKJNPFKMHMBGJ-SRZZPIQSSA-N 0 0 543.834 7.066 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944288 1071288283 /nfs/dbraw/zinc/28/82/83/1071288283.db2.gz UUFNWAMOTYAUKR-NPRXSWCKSA-N 0 0 696.269 7.225 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Br)c1 ZINC000408942965 1071297105 /nfs/dbraw/zinc/29/71/05/1071297105.db2.gz RIPFPMBQLSWCJV-OEAKJJBVSA-N 0 0 503.396 6.087 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(I)c(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408940639 1071316677 /nfs/dbraw/zinc/31/66/77/1071316677.db2.gz VENQFYXKLMRTTI-OTKSFMAGSA-N 0 0 697.595 5.136 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1F ZINC000408940300 1071317867 /nfs/dbraw/zinc/31/78/67/1071317867.db2.gz NRXMDIMJGKMFSG-UDWIEESQSA-N 0 0 570.358 5.460 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408938529 1071330459 /nfs/dbraw/zinc/33/04/59/1071330459.db2.gz KUNYNDRBBGLCFD-LPYMAVHISA-N 0 0 598.291 6.631 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n21 ZINC000408937895 1071335331 /nfs/dbraw/zinc/33/53/31/1071335331.db2.gz AEFYHTWQRIMRDX-DQARITGZSA-N 0 0 638.559 5.505 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408683703 1071363234 /nfs/dbraw/zinc/36/32/34/1071363234.db2.gz NKLDGZHBLCLKPB-WUFINQPMSA-N 0 0 502.570 6.730 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n21 ZINC000408948633 1071364923 /nfs/dbraw/zinc/36/49/23/1071364923.db2.gz KUTVTVVBBWRSSS-YRSDHNRQSA-N 0 0 746.465 5.970 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c2C)c1 ZINC000408966789 1071407743 /nfs/dbraw/zinc/40/77/43/1071407743.db2.gz ODWAHDWANOCBED-QRVIBDJDSA-N 0 0 512.393 5.671 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408964707 1071417242 /nfs/dbraw/zinc/41/72/42/1071417242.db2.gz FGVXNMYVZGMRBD-COEJQBHMSA-N 0 0 556.691 7.007 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(C)c(I)c1 ZINC000408969342 1071459408 /nfs/dbraw/zinc/45/94/08/1071459408.db2.gz MFFZBNNJLCLHBX-NDENLUEZSA-N 0 0 549.334 6.356 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1cccc2ccccc21 ZINC000408968844 1071460792 /nfs/dbraw/zinc/46/07/92/1071460792.db2.gz CBBPKNRQVSMQFZ-JLPGSUDCSA-N 0 0 502.492 6.776 40 10 KKCBRN CC(C)Oc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1I ZINC000408968951 1071460872 /nfs/dbraw/zinc/46/08/72/1071460872.db2.gz DMPUTXKPFCYGOL-ZSOIEALJSA-N 0 0 626.154 6.032 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968571 1071461456 /nfs/dbraw/zinc/46/14/56/1071461456.db2.gz XLLXICWGZUJHNI-QQXSKIMKSA-N 0 0 515.679 6.683 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968267 1071462183 /nfs/dbraw/zinc/46/21/83/1071462183.db2.gz VBEASZBMQJPXPY-XYGWBWBKSA-N 0 0 501.652 6.375 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968074 1071464372 /nfs/dbraw/zinc/46/43/72/1071464372.db2.gz UCYJLBKHQXFGER-OYKKKHCWSA-N 0 0 522.070 6.720 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)c2C)c1 ZINC000408967482 1071467089 /nfs/dbraw/zinc/46/70/89/1071467089.db2.gz SGASYBGYJFERAN-FMCGGJTJSA-N 0 0 512.393 5.671 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976020 1071473376 /nfs/dbraw/zinc/47/33/76/1071473376.db2.gz OODWTIXAORIFBJ-ASZNLBCTSA-N 0 0 667.569 5.209 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1Br ZINC000408986409 1071490247 /nfs/dbraw/zinc/49/02/47/1071490247.db2.gz QLPDXJOFEZIXOI-XMHGGMMESA-N 0 0 525.240 7.082 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408985312 1071502675 /nfs/dbraw/zinc/50/26/75/1071502675.db2.gz LIYKZKVXZGWYJR-CPNJWEJPSA-N 0 0 525.240 7.082 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408984310 1071509526 /nfs/dbraw/zinc/50/95/26/1071509526.db2.gz GMCZJGLBLIOLJL-NCELDCMTSA-N 0 0 519.553 6.381 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000408983859 1071513344 /nfs/dbraw/zinc/51/33/44/1071513344.db2.gz DOQHAXLDIYFXKC-LDADJPATSA-N 0 0 515.234 7.626 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408726274 1071513369 /nfs/dbraw/zinc/51/33/69/1071513369.db2.gz KWCKBGIKVUMRQQ-WAGURDLBSA-N 0 0 519.957 7.886 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408725695 1071520100 /nfs/dbraw/zinc/52/01/00/1071520100.db2.gz MTYJWDBIHLHIEW-UHFFFAOYSA-N 0 0 549.539 5.766 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408983504 1071517149 /nfs/dbraw/zinc/51/71/49/1071517149.db2.gz KVAZRILKGJYWCP-SPLCHINYSA-N 0 0 612.151 6.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408726064 1071517694 /nfs/dbraw/zinc/51/76/94/1071517694.db2.gz PGADMFGLQCKIDP-MTJSOVHGSA-N 0 0 522.475 6.755 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726068 1071517878 /nfs/dbraw/zinc/51/78/78/1071517878.db2.gz OMXBYURAVGJRSQ-NJZRLIGZSA-N 0 0 627.653 7.618 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408726098 1071517907 /nfs/dbraw/zinc/51/79/07/1071517907.db2.gz PBNFTABPIXIUHV-UHFFFAOYSA-N 0 0 546.623 6.783 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408725590 1071518960 /nfs/dbraw/zinc/51/89/60/1071518960.db2.gz KWVDTOCLLAHOGG-NJZRLIGZSA-N 0 0 582.656 7.628 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408725448 1071519953 /nfs/dbraw/zinc/51/99/53/1071519953.db2.gz GQZOEGICEQLBRJ-NHDPSOOVSA-N 0 0 554.518 5.618 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000408724505 1071525232 /nfs/dbraw/zinc/52/52/32/1071525232.db2.gz ATANAEPUYPVUTK-MWAVMZGNSA-N 0 0 617.101 8.363 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000408724956 1071522976 /nfs/dbraw/zinc/52/29/76/1071522976.db2.gz CJFBSSHSKWUUTR-FLKYKPPWSA-N 0 0 504.782 8.009 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408724920 1071523042 /nfs/dbraw/zinc/52/30/42/1071523042.db2.gz DYJYZRJSJHPLMM-UHFFFAOYSA-N 0 0 593.661 6.548 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408982716 1071523363 /nfs/dbraw/zinc/52/33/63/1071523363.db2.gz JOSCNUQINFKODO-LCQSEVKBSA-N 0 0 604.128 5.034 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000408724801 1071523534 /nfs/dbraw/zinc/52/35/34/1071523534.db2.gz AZTKYJRXDGSUTB-ABVCBXCHSA-N 0 0 503.889 7.721 40 10 KKCBRN O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408723400 1071528261 /nfs/dbraw/zinc/52/82/61/1071528261.db2.gz UAWXPEAXFVVUQH-VCHYOVAHSA-N 0 0 606.723 6.275 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408723332 1071529216 /nfs/dbraw/zinc/52/92/16/1071529216.db2.gz RHSDMIZQTWBPHD-FJNIOPPGSA-N 0 0 745.523 6.911 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n32)c(OC)c1 ZINC000408981114 1071536778 /nfs/dbraw/zinc/53/67/78/1071536778.db2.gz ZMDJVKYFXHDDKD-FFWTUWPMSA-N 0 0 632.786 5.915 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408981005 1071537336 /nfs/dbraw/zinc/53/73/36/1071537336.db2.gz HEAFYKWTPYIKSU-QYJHSCKRSA-N 0 0 608.163 6.305 40 10 KKCBRN O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408721239 1071539604 /nfs/dbraw/zinc/53/96/04/1071539604.db2.gz NBUMJKLTQQUXMV-KEBDBYFISA-N 0 0 507.505 5.128 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408979836 1071542500 /nfs/dbraw/zinc/54/25/00/1071542500.db2.gz SQLAPZVKCISEPG-IKHSWBDUSA-N 0 0 676.795 5.475 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408979392 1071544869 /nfs/dbraw/zinc/54/48/69/1071544869.db2.gz CIKKFLWETXOQGB-MJASDKGPSA-N 0 0 605.760 5.984 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408994307 1071559261 /nfs/dbraw/zinc/55/92/61/1071559261.db2.gz ZEWSKRJQJCRCSJ-UHFFFAOYSA-N 0 0 700.842 8.461 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408993907 1071563361 /nfs/dbraw/zinc/56/33/61/1071563361.db2.gz YANQPQUZFZAQMM-UHFFFAOYSA-N 0 0 804.375 10.243 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733383 1071571847 /nfs/dbraw/zinc/57/18/47/1071571847.db2.gz HVSYPGAUEXTKOB-ZSJKCPIUSA-N 0 0 582.509 5.431 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408991423 1071582127 /nfs/dbraw/zinc/58/21/27/1071582127.db2.gz XHCSCPZNZDVBLV-SLZKQOKCSA-N 0 0 654.188 6.014 40 10 KKCBRN O=C1C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408730409 1071586498 /nfs/dbraw/zinc/58/64/98/1071586498.db2.gz GBKGPWRCHIOJHZ-UHFFFAOYSA-N 0 0 585.663 8.395 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408991091 1071584096 /nfs/dbraw/zinc/58/40/96/1071584096.db2.gz MRQWDLYIBAEZAP-UHFFFAOYSA-N 0 0 550.625 5.155 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408990003 1071592059 /nfs/dbraw/zinc/59/20/59/1071592059.db2.gz JQNLKEINVULFPJ-OFCKJYIJSA-N 0 0 647.760 5.126 40 10 KKCBRN Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408730325 1071587842 /nfs/dbraw/zinc/58/78/42/1071587842.db2.gz FQOSNIHVHKOFIP-UHFFFAOYSA-N 0 0 599.690 8.703 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408990414 1071590645 /nfs/dbraw/zinc/59/06/45/1071590645.db2.gz VRFHVMVGJKZZRY-NXYYLBPMSA-N 0 0 734.059 6.910 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408990206 1071591178 /nfs/dbraw/zinc/59/11/78/1071591178.db2.gz JXDINCLQNJNGBT-UHFFFAOYSA-N 0 0 836.760 9.828 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408990232 1071591518 /nfs/dbraw/zinc/59/15/18/1071591518.db2.gz WILONNOVQLINOL-UOFRAYPZSA-N 0 0 559.691 5.343 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408728205 1071597840 /nfs/dbraw/zinc/59/78/40/1071597840.db2.gz WQIADLWRSUKXJS-WPWJYFEVSA-N 0 0 553.509 8.251 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408989325 1071597956 /nfs/dbraw/zinc/59/79/56/1071597956.db2.gz HJMBVMSTHVYMOI-PLNPHXOGSA-N 0 0 715.613 5.956 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738757 1071607176 /nfs/dbraw/zinc/60/71/76/1071607176.db2.gz NVAJYQLYTJCVRF-JLKMOJGBSA-N 0 0 569.727 5.221 40 10 KKCBRN C=C/C=C\C=C(/C)C1=C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccccc1C(=O)OC ZINC000408738315 1071609187 /nfs/dbraw/zinc/60/91/87/1071609187.db2.gz UUSQKZQOFPLKNI-WMPRRVQTSA-N 0 0 532.423 8.043 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000408987373 1071612386 /nfs/dbraw/zinc/61/23/86/1071612386.db2.gz WYUMCXHWGXOKPH-RCCKNPSSSA-N 0 0 560.831 7.620 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408987650 1071612394 /nfs/dbraw/zinc/61/23/94/1071612394.db2.gz QSVBTXOCHQDJCB-FSPONLMBSA-N 0 0 633.726 5.080 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl ZINC000408737451 1071613629 /nfs/dbraw/zinc/61/36/29/1071613629.db2.gz AUNGMCQSJDFAKU-GHRIWEEISA-N 0 0 527.234 9.032 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(Cl)ccc4OC)C3=O)o2)cc1 ZINC000408987314 1071614005 /nfs/dbraw/zinc/61/40/05/1071614005.db2.gz WFVOABIBHDGNTD-CJLVFECKSA-N 0 0 511.961 6.867 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408996762 1071616429 /nfs/dbraw/zinc/61/64/29/1071616429.db2.gz JWAVZQDZWBAQDB-XYGWBWBKSA-N 0 0 577.431 5.352 40 10 KKCBRN Cc1cccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408995694 1071621514 /nfs/dbraw/zinc/62/15/14/1071621514.db2.gz KRIGIBPOQXKWTF-UHFFFAOYSA-N 0 0 511.581 6.581 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408744077 1071617296 /nfs/dbraw/zinc/61/72/96/1071617296.db2.gz WFRUFTOLOPWXHH-OVCLIPMQSA-N 0 0 665.190 6.652 40 10 KKCBRN Cc1nn(-c2ccccc2)c(C)c1/C=C1\C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408996030 1071620013 /nfs/dbraw/zinc/62/00/13/1071620013.db2.gz COKPFARHIPBVQW-OVVQPSECSA-N 0 0 506.631 5.854 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408741804 1071623327 /nfs/dbraw/zinc/62/33/27/1071623327.db2.gz LGPSWLKYAVNFMW-YBFXNURJSA-N 0 0 508.324 5.926 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408741773 1071624587 /nfs/dbraw/zinc/62/45/87/1071624587.db2.gz KZHUKYCVSIRNLX-DEDYPNTBSA-N 0 0 522.351 6.316 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409006498 1071624666 /nfs/dbraw/zinc/62/46/66/1071624666.db2.gz KCDXIKLDEAUGCX-ZDLGFXPLSA-N 0 0 547.323 6.955 40 10 KKCBRN CC(=O)Oc1c(I)cc(I)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000408741476 1071625618 /nfs/dbraw/zinc/62/56/18/1071625618.db2.gz JESVHVSYXZDBMT-AWNIVKPZSA-N 0 0 592.554 5.456 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409006246 1071625701 /nfs/dbraw/zinc/62/57/01/1071625701.db2.gz IHDNNOZKXQHVLR-ZXVVBBHZSA-N 0 0 621.715 6.086 40 10 KKCBRN CC(=O)Oc1c(I)cc(I)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O ZINC000408740898 1071629014 /nfs/dbraw/zinc/62/90/14/1071629014.db2.gz DVBHUHMBPSZXBT-AWNIVKPZSA-N 0 0 637.005 5.565 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)SC1=S ZINC000409005139 1071631048 /nfs/dbraw/zinc/63/10/48/1071631048.db2.gz DMSDXLSPMNQQCZ-YVLHZVERSA-N 0 0 560.276 5.854 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409004493 1071632515 /nfs/dbraw/zinc/63/25/15/1071632515.db2.gz AGSGIWUBHYPBME-TWKHWXDSSA-N 0 0 619.743 6.776 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000408757190 1071633184 /nfs/dbraw/zinc/63/31/84/1071633184.db2.gz VPODVRARZKHSTH-SZKDJAFWSA-N 0 0 586.673 6.057 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409003105 1071638535 /nfs/dbraw/zinc/63/85/35/1071638535.db2.gz DJJLKLANIFIHMW-WSDLNYQXSA-N 0 0 588.831 5.372 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409002990 1071638649 /nfs/dbraw/zinc/63/86/49/1071638649.db2.gz XRZFXTJLCLGZQV-DAIZXWHWSA-N 0 0 609.792 5.914 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409002857 1071639224 /nfs/dbraw/zinc/63/92/24/1071639224.db2.gz WXNVMCARENSBCO-CLCZQPDDSA-N 0 0 569.546 6.571 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001907 1071643449 /nfs/dbraw/zinc/64/34/49/1071643449.db2.gz XSTNKEMZXMCLHJ-FUAQWRKOSA-N 0 0 680.668 7.229 40 10 KKCBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408754871 1071649521 /nfs/dbraw/zinc/64/95/21/1071649521.db2.gz ADJIOIGMXNYWMV-DPNNOFEESA-N 0 0 540.711 7.916 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000409000062 1071650498 /nfs/dbraw/zinc/65/04/98/1071650498.db2.gz WXLHPDYHYJEOFO-BWAHOGKJSA-N 0 0 526.589 5.288 40 10 KKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408754189 1071653925 /nfs/dbraw/zinc/65/39/25/1071653925.db2.gz DZVJMCWCZFJNFV-XDHOZWIPSA-N 0 0 511.803 7.291 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408753963 1071653979 /nfs/dbraw/zinc/65/39/79/1071653979.db2.gz CQLDLBHYVDQYHJ-ZYQHFCLGSA-N 0 0 589.764 7.393 40 10 KKCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408997655 1071662717 /nfs/dbraw/zinc/66/27/17/1071662717.db2.gz NWINPCZKAAUYKF-CCVNUDIWSA-N 0 0 580.645 6.579 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1Cl ZINC000408998215 1071660240 /nfs/dbraw/zinc/66/02/40/1071660240.db2.gz IKZKFSAVAXJYMH-UQQQWYQISA-N 0 0 571.054 6.752 40 10 KKCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997434 1071663244 /nfs/dbraw/zinc/66/32/44/1071663244.db2.gz OONAOMMKQFPHBN-UHFFFAOYSA-N 0 0 595.096 5.020 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408997569 1071664453 /nfs/dbraw/zinc/66/44/53/1071664453.db2.gz HGUZLZGBQBBNSE-UHFFFAOYSA-N 0 0 600.412 6.454 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409016868 1071664841 /nfs/dbraw/zinc/66/48/41/1071664841.db2.gz APGASJXVKSHIHW-ITYLOYPMSA-N 0 0 513.590 5.940 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409016967 1071665549 /nfs/dbraw/zinc/66/55/49/1071665549.db2.gz CBKUEOSEKUFUOC-DWLKXISJSA-N 0 0 661.780 5.447 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409015570 1071670921 /nfs/dbraw/zinc/67/09/21/1071670921.db2.gz OGBYXGBGJWBYIZ-GSASKQFNSA-N 0 0 603.744 5.660 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409015646 1071671389 /nfs/dbraw/zinc/67/13/89/1071671389.db2.gz CTZKFMHIAAPBCJ-GSFJQCGGSA-N 0 0 648.854 6.131 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409015169 1071672830 /nfs/dbraw/zinc/67/28/30/1071672830.db2.gz AQTCAMBVEDQCPE-GRSHGNNSSA-N 0 0 550.269 7.585 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409015150 1071672896 /nfs/dbraw/zinc/67/28/96/1071672896.db2.gz YUGDIZKXSCDNQZ-ATVHPVEESA-N 0 0 516.362 5.725 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409014930 1071674472 /nfs/dbraw/zinc/67/44/72/1071674472.db2.gz QTYRYZANHRIYRD-LPYMAVHISA-N 0 0 636.318 5.160 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409014751 1071674481 /nfs/dbraw/zinc/67/44/81/1071674481.db2.gz JBDIBWPVLXQOOV-AOFXREQWSA-N 0 0 622.194 6.001 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O ZINC000409014283 1071676685 /nfs/dbraw/zinc/67/66/85/1071676685.db2.gz WWGJQPBYGIBHTA-NTEUORMPSA-N 0 0 588.705 5.533 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013082 1071680798 /nfs/dbraw/zinc/68/07/98/1071680798.db2.gz MGRWZAXQAFASRR-FDAWAROLSA-N 0 0 695.621 7.167 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013939 1071677775 /nfs/dbraw/zinc/67/77/75/1071677775.db2.gz OUEMHDJOIYUZMC-BIZUNTBRSA-N 0 0 645.177 7.127 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409013236 1071680447 /nfs/dbraw/zinc/68/04/47/1071680447.db2.gz MPERFJQDMLWNAB-MFKUBSTISA-N 0 0 553.059 5.272 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC ZINC000409012967 1071681950 /nfs/dbraw/zinc/68/19/50/1071681950.db2.gz SBMFSHYFKRYADS-GZTJUZNOSA-N 0 0 584.863 5.306 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012616 1071684026 /nfs/dbraw/zinc/68/40/26/1071684026.db2.gz KSTPWVKCSPCVQK-VUTHCHCSSA-N 0 0 665.595 7.553 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010465 1071691400 /nfs/dbraw/zinc/69/14/00/1071691400.db2.gz KPCXVHSFXXFUDJ-STBIYBPSSA-N 0 0 576.715 5.616 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010070 1071693670 /nfs/dbraw/zinc/69/36/70/1071693670.db2.gz DECKJQJKWVPENG-UZWMFBFFSA-N 0 0 645.177 7.208 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009951 1071694050 /nfs/dbraw/zinc/69/40/50/1071694050.db2.gz AOCRPURBLGFIAQ-OCSSWDANSA-N 0 0 686.013 7.817 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409009967 1071694130 /nfs/dbraw/zinc/69/41/30/1071694130.db2.gz IWSQWFLOSKIDTO-MTJSOVHGSA-N 0 0 560.275 7.041 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009452 1071695624 /nfs/dbraw/zinc/69/56/24/1071695624.db2.gz ABSDATSWZONTEJ-BIZUNTBRSA-N 0 0 645.177 6.814 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409009189 1071696620 /nfs/dbraw/zinc/69/66/20/1071696620.db2.gz BXIORHJYZMHQSK-JLPGSUDCSA-N 0 0 522.567 6.997 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000409008734 1071698289 /nfs/dbraw/zinc/69/82/89/1071698289.db2.gz DEPJLHRUMIUTEM-MTDXEUNCSA-N 0 0 613.132 5.342 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007598 1071703059 /nfs/dbraw/zinc/70/30/59/1071703059.db2.gz PRKFLCSWKNSYHD-UHFFFAOYSA-N 0 0 577.662 5.769 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408758741 1071703451 /nfs/dbraw/zinc/70/34/51/1071703451.db2.gz QEXPOACEURSEIU-PYCFMQQDSA-N 0 0 541.028 7.879 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408758956 1071703593 /nfs/dbraw/zinc/70/35/93/1071703593.db2.gz VNCZHFPTBXTMKR-FYJGNVAPSA-N 0 0 540.211 5.833 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SC1=S ZINC000409008393 1071699479 /nfs/dbraw/zinc/69/94/79/1071699479.db2.gz XVYUDSQLJCOUIR-SXGWCWSVSA-N 0 0 641.721 6.349 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024374 1071712210 /nfs/dbraw/zinc/71/22/10/1071712210.db2.gz XOHTZBKBNUKGQA-GJKZIJEQSA-N 0 0 598.769 5.061 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409023508 1071715487 /nfs/dbraw/zinc/71/54/87/1071715487.db2.gz GBSIERCZPYRPIX-QYJHSCKRSA-N 0 0 591.708 5.791 40 10 KKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408757283 1071713016 /nfs/dbraw/zinc/71/30/16/1071713016.db2.gz LOEKPXNKHWIGBV-ZMGVVAQMSA-N 0 0 518.705 7.380 40 10 KKCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408757369 1071713481 /nfs/dbraw/zinc/71/34/81/1071713481.db2.gz MPKWOMJDBWZMBF-MNDYBZJGSA-N 0 0 535.648 6.671 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=S ZINC000409023991 1071714112 /nfs/dbraw/zinc/71/41/12/1071714112.db2.gz OVDOLVNTIHSEPY-QLTSDVKISA-N 0 0 567.714 7.765 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409022166 1071719729 /nfs/dbraw/zinc/71/97/29/1071719729.db2.gz HHOYPVLGMHQDBX-ZTKZIYFRSA-N 0 0 529.665 6.797 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409022122 1071719794 /nfs/dbraw/zinc/71/97/94/1071719794.db2.gz FJGLOQYDTIILKR-URFJJRPFSA-N 0 0 637.783 5.500 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023392 1071715991 /nfs/dbraw/zinc/71/59/91/1071715991.db2.gz LUYPKZAHGAECJV-ZJTZAHLKSA-N 0 0 620.569 5.285 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409023063 1071716829 /nfs/dbraw/zinc/71/68/29/1071716829.db2.gz CKYQGFGULYNJTG-ASUJOLEISA-N 0 0 677.665 5.823 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409022414 1071718502 /nfs/dbraw/zinc/71/85/02/1071718502.db2.gz NDMAXHYZOQCKOG-QQMBNGEASA-N 0 0 706.659 5.852 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022307 1071719391 /nfs/dbraw/zinc/71/93/91/1071719391.db2.gz MRWNOHMDXMBWSN-GTIUJOIGSA-N 0 0 629.830 6.471 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020423 1071726641 /nfs/dbraw/zinc/72/66/41/1071726641.db2.gz PCTCKXHKXAHZLP-CPNJWEJPSA-N 0 0 519.500 6.770 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021431 1071723180 /nfs/dbraw/zinc/72/31/80/1071723180.db2.gz HEZZNSJBADONDP-ITNPZBTBSA-N 0 0 583.710 5.023 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409021456 1071723212 /nfs/dbraw/zinc/72/32/12/1071723212.db2.gz IVVBNHJWMHKUKN-HRIDGTDGSA-N 0 0 649.611 5.043 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409021392 1071723226 /nfs/dbraw/zinc/72/32/26/1071723226.db2.gz FLBFFKKANSOXRH-KGENOOAVSA-N 0 0 512.462 6.355 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409021245 1071723545 /nfs/dbraw/zinc/72/35/45/1071723545.db2.gz ZLRGZVZLSDAHAR-XIEYBQDHSA-N 0 0 536.657 6.384 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409020692 1071725688 /nfs/dbraw/zinc/72/56/88/1071725688.db2.gz SBYSFUUZBDCZPV-YSMPRRRNSA-N 0 0 533.466 6.857 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020289 1071727399 /nfs/dbraw/zinc/72/73/99/1071727399.db2.gz NNFVIYBJXNSUPU-RDRPBHBLSA-N 0 0 681.594 7.172 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409019612 1071729517 /nfs/dbraw/zinc/72/95/17/1071729517.db2.gz JYRZXOYAEREGEV-OGLMXYFKSA-N 0 0 702.012 7.517 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409019432 1071730089 /nfs/dbraw/zinc/73/00/89/1071730089.db2.gz JBKOGDCITGFDRT-IWIPYMOSSA-N 0 0 539.459 6.325 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409019065 1071730502 /nfs/dbraw/zinc/73/05/02/1071730502.db2.gz XUZWFDWYBJGGJZ-CXDFQFJYSA-N 0 0 531.472 5.589 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409019165 1071730885 /nfs/dbraw/zinc/73/08/85/1071730885.db2.gz YUILISSYPOJFAZ-GSASKQFNSA-N 0 0 619.812 6.373 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3C)C2=O)cc1OC ZINC000408763552 1071731407 /nfs/dbraw/zinc/73/14/07/1071731407.db2.gz STUVBRCVWLDKBR-CPNJWEJPSA-N 0 0 557.815 6.742 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408763346 1071732758 /nfs/dbraw/zinc/73/27/58/1071732758.db2.gz MXYLMPTWHRTEJU-HYARGMPZSA-N 0 0 526.228 6.445 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(I)c(C)c3)C2=O)cc1 ZINC000408762256 1071735924 /nfs/dbraw/zinc/73/59/24/1071735924.db2.gz DJFJMBDNOLHYKZ-RGEXLXHISA-N 0 0 527.789 6.733 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3I)C2=O)cc1 ZINC000408762043 1071737619 /nfs/dbraw/zinc/73/76/19/1071737619.db2.gz MLGJOMXTPXBNDH-JXAWBTAJSA-N 0 0 513.762 6.425 40 10 KKCBRN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408762965 1071733582 /nfs/dbraw/zinc/73/35/82/1071733582.db2.gz CSWRROIALVPNMF-JMIUGGIZSA-N 0 0 502.474 5.952 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409018059 1071733970 /nfs/dbraw/zinc/73/39/70/1071733970.db2.gz QHAKXBCSEKFBMW-HMMYKYKNSA-N 0 0 512.462 6.355 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409017735 1071734784 /nfs/dbraw/zinc/73/47/84/1071734784.db2.gz GWMYACVKUAKVRL-XGLKJEJJSA-N 0 0 569.727 5.303 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409036876 1071739068 /nfs/dbraw/zinc/73/90/68/1071739068.db2.gz RUSUQOOAFIUBRP-GRSHGNNSSA-N 0 0 571.356 6.656 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(Cl)c1 ZINC000409036803 1071740265 /nfs/dbraw/zinc/74/02/65/1071740265.db2.gz BPLLTOUEMDPMKF-YVLHZVERSA-N 0 0 536.884 6.819 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769975 1071744719 /nfs/dbraw/zinc/74/47/19/1071744719.db2.gz RHLIALADEQTWCW-FCVOFCDTSA-N 0 0 650.595 5.294 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409035539 1071751559 /nfs/dbraw/zinc/75/15/59/1071751559.db2.gz SXQYOVFTIKVWJK-LZYBPNLTSA-N 0 0 536.884 6.738 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409035598 1071749748 /nfs/dbraw/zinc/74/97/48/1071749748.db2.gz QGWMJRBMUOLGRO-WQRHYEAKSA-N 0 0 564.894 6.597 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000409035670 1071750261 /nfs/dbraw/zinc/75/02/61/1071750261.db2.gz PXDNHAQLKUINCU-ABBNRAPFSA-N 0 0 612.590 5.196 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc2n1Cc1ccc(Cl)cc1Cl ZINC000409035437 1071750607 /nfs/dbraw/zinc/75/06/07/1071750607.db2.gz PQRKQCFYGRRXKT-OEAKJJBVSA-N 0 0 542.388 7.962 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408774889 1071758519 /nfs/dbraw/zinc/75/85/19/1071758519.db2.gz DIIZIIDXVBJJJE-OYKKKHCWSA-N 0 0 523.460 7.402 40 10 KKCBRN CCOC(=O)COc1ccc2ccccc2c1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409034592 1071758895 /nfs/dbraw/zinc/75/88/95/1071758895.db2.gz HZIKYQCQBUKUNG-GDNBJRDFSA-N 0 0 504.411 5.283 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000409034450 1071760386 /nfs/dbraw/zinc/76/03/86/1071760386.db2.gz HOHCUXOLOPIMFC-JLHDDXNDSA-N 0 0 569.727 5.301 40 10 KKCBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000408773639 1071765811 /nfs/dbraw/zinc/76/58/11/1071765811.db2.gz WDFXEAHKJPDWBR-UHFFFAOYSA-N 0 0 506.558 6.221 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408773726 1071766441 /nfs/dbraw/zinc/76/64/41/1071766441.db2.gz WYDKXQKUWBVQHQ-IWIPYMOSSA-N 0 0 505.412 6.042 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1F ZINC000409033774 1071767448 /nfs/dbraw/zinc/76/74/48/1071767448.db2.gz LQSQLHJLSREVCX-VGOFMYFVSA-N 0 0 540.847 6.568 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408772909 1071770615 /nfs/dbraw/zinc/77/06/15/1071770615.db2.gz IYJLMHYXSISOHS-XYGWBWBKSA-N 0 0 500.526 5.029 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409032688 1071777679 /nfs/dbraw/zinc/77/76/79/1071777679.db2.gz MLWZBEWDZOJHOG-AWNIVKPZSA-N 0 0 545.266 7.213 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1cccc2ccccc21 ZINC000409032727 1071778152 /nfs/dbraw/zinc/77/81/52/1071778152.db2.gz MWUXDRTUOBZOSY-VXLYETTFSA-N 0 0 617.368 7.692 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408771860 1071778953 /nfs/dbraw/zinc/77/89/53/1071778953.db2.gz JSWXRHPMPDXTJY-USHMODERSA-N 0 0 540.616 5.048 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)S2)cc1 ZINC000408771571 1071780683 /nfs/dbraw/zinc/78/06/83/1071780683.db2.gz JJMBOVBFBHUWPS-AQIZGWBQSA-N 0 0 543.474 6.169 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)sc2=N1 ZINC000409031833 1071785557 /nfs/dbraw/zinc/78/55/57/1071785557.db2.gz BPFCZJKDBQMZHW-DUCIMOQJSA-N 0 0 638.189 6.438 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(Br)cc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2OC)cc1 ZINC000409031922 1071783514 /nfs/dbraw/zinc/78/35/14/1071783514.db2.gz ICAJNTDXRRRNAD-MFOYZWKCSA-N 0 0 639.371 6.715 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031970 1071784011 /nfs/dbraw/zinc/78/40/11/1071784011.db2.gz BUOIPHPJMAHYHM-NBQDTTAVSA-N 0 0 599.753 5.310 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Br)cc1 ZINC000409031767 1071785129 /nfs/dbraw/zinc/78/51/29/1071785129.db2.gz AZTDFYUAPNSQBJ-LICLKQGHSA-N 0 0 581.335 6.928 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409031108 1071791672 /nfs/dbraw/zinc/79/16/72/1071791672.db2.gz IVADQUUAPFWCRL-MKMNVTDBSA-N 0 0 697.623 7.788 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409031145 1071792059 /nfs/dbraw/zinc/79/20/59/1071792059.db2.gz GLDROTUNLIGOTR-RGVLZGJSSA-N 0 0 678.395 7.924 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409030998 1071793702 /nfs/dbraw/zinc/79/37/02/1071793702.db2.gz GELVJNLQPTWWTA-XKZIYDEJSA-N 0 0 585.960 7.828 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409030501 1071797360 /nfs/dbraw/zinc/79/73/60/1071797360.db2.gz DOEPHASDPWPJGW-QRVIBDJDSA-N 0 0 630.411 7.937 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409029884 1071802568 /nfs/dbraw/zinc/80/25/68/1071802568.db2.gz CUFYLCYTWHYRAL-WQRHYEAKSA-N 0 0 609.345 6.706 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc21 ZINC000409030397 1071799439 /nfs/dbraw/zinc/79/94/39/1071799439.db2.gz DBHFLJQIWKWVPG-MOSHPQCFSA-N 0 0 508.446 6.920 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(F)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408767644 1071807094 /nfs/dbraw/zinc/80/70/94/1071807094.db2.gz FXNSNSBFKWAJKI-PNQAETMRSA-N 0 0 596.127 6.527 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c2n1Cc1ccccc1Cl ZINC000409029420 1071807265 /nfs/dbraw/zinc/80/72/65/1071807265.db2.gz ASSPEKFNFDIOJA-HZHRSRAPSA-N 0 0 507.943 7.308 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC1=S ZINC000409029412 1071807282 /nfs/dbraw/zinc/80/72/82/1071807282.db2.gz AOPJQZHUOGXFGY-GRSHGNNSSA-N 0 0 507.431 5.794 40 10 KKCBRN COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl ZINC000409029714 1071804193 /nfs/dbraw/zinc/80/41/93/1071804193.db2.gz AOAPGBCUAFZSHZ-YCRREMRBSA-N 0 0 509.214 5.047 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037977 1071818920 /nfs/dbraw/zinc/81/89/20/1071818920.db2.gz ODIHTMIOKVIYOI-SOJUGJLBSA-N 0 0 725.649 5.915 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(I)c2)cc1 ZINC000408779307 1071832224 /nfs/dbraw/zinc/83/22/24/1071832224.db2.gz UWFSBFBMVLEMBL-CPNJWEJPSA-N 0 0 508.315 5.979 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409046241 1071833426 /nfs/dbraw/zinc/83/34/26/1071833426.db2.gz JMOZWWTZMSRKFR-QGMBQPNBSA-N 0 0 557.302 5.055 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409045301 1071842809 /nfs/dbraw/zinc/84/28/09/1071842809.db2.gz GCOMRMPGIXRMKT-UHFFFAOYSA-N 0 0 711.204 8.137 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409045236 1071841912 /nfs/dbraw/zinc/84/19/12/1071841912.db2.gz IBXARFJKNWKFDK-JAIQZWGSSA-N 0 0 587.932 6.780 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408777640 1071842166 /nfs/dbraw/zinc/84/21/66/1071842166.db2.gz DVHDKMUOGVELFQ-WAHKBFHJSA-N 0 0 601.772 6.467 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408778025 1071839409 /nfs/dbraw/zinc/83/94/09/1071839409.db2.gz OPQZKUHKVDQQGR-UHFFFAOYSA-N 0 0 533.697 7.140 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408787133 1071845947 /nfs/dbraw/zinc/84/59/47/1071845947.db2.gz SAHOVXSIBIYBTH-QQXSKIMKSA-N 0 0 533.466 6.857 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408786577 1071849936 /nfs/dbraw/zinc/84/99/36/1071849936.db2.gz SPJCWAIMWTZMEK-MOSHPQCFSA-N 0 0 560.275 7.041 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409044211 1071851101 /nfs/dbraw/zinc/85/11/01/1071851101.db2.gz UIPWNGANYNLDJH-KEBDBYFISA-N 0 0 595.118 7.904 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408786447 1071851818 /nfs/dbraw/zinc/85/18/18/1071851818.db2.gz QAEDQYWKHDRQLU-FUZBLHKMSA-N 0 0 615.799 6.775 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408786029 1071852429 /nfs/dbraw/zinc/85/24/29/1071852429.db2.gz FIBNOBSMMBQJDU-AZJUONQGSA-N 0 0 646.769 5.467 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408785787 1071855225 /nfs/dbraw/zinc/85/52/25/1071855225.db2.gz ZIAVIECVYZLDTQ-BVMLUPFRSA-N 0 0 533.741 6.949 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408785425 1071858442 /nfs/dbraw/zinc/85/84/42/1071858442.db2.gz ZGEZZCMGCOXFNU-OYKKKHCWSA-N 0 0 520.944 5.374 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409043494 1071858782 /nfs/dbraw/zinc/85/87/82/1071858782.db2.gz RCTNCTPHMDGPOI-YBFXNURJSA-N 0 0 618.709 6.727 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409043135 1071860566 /nfs/dbraw/zinc/86/05/66/1071860566.db2.gz PZISNRRJUUGKSA-UHFFFAOYSA-N 0 0 701.198 8.681 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409042735 1071865577 /nfs/dbraw/zinc/86/55/77/1071865577.db2.gz XPFCPFPQUWGXJQ-BKUYFWCQSA-N 0 0 508.446 6.920 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)S2)cc1 ZINC000408783302 1071870963 /nfs/dbraw/zinc/87/09/63/1071870963.db2.gz MIBOMZSKSFZEJG-JLKMOJGBSA-N 0 0 556.713 7.316 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409041117 1071883247 /nfs/dbraw/zinc/88/32/47/1071883247.db2.gz IKGNANJOUYOAHR-UHFFFAOYSA-N 0 0 607.471 6.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041072 1071885698 /nfs/dbraw/zinc/88/56/98/1071885698.db2.gz ZBFWZMXVCVKAGQ-DDIUQFJASA-N 0 0 599.753 5.310 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409040340 1071892009 /nfs/dbraw/zinc/89/20/09/1071892009.db2.gz GJXUXZIEWTYWFO-UHFFFAOYSA-N 0 0 593.466 8.309 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040739 1071888134 /nfs/dbraw/zinc/88/81/34/1071888134.db2.gz YNTHCTZBVSTLFS-DDIUQFJASA-N 0 0 615.752 5.010 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000409040510 1071888652 /nfs/dbraw/zinc/88/86/52/1071888652.db2.gz YOKPZJUJPSMPOY-KEPJHFNWSA-N 0 0 669.041 6.411 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409040046 1071894732 /nfs/dbraw/zinc/89/47/32/1071894732.db2.gz XNTMYVABIGWVTG-AUWJEWJLSA-N 0 0 636.198 7.845 40 10 KKCBRN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409040047 1071894765 /nfs/dbraw/zinc/89/47/65/1071894765.db2.gz SGRCFYOKSNFVGU-YHYXMXQVSA-N 0 0 554.107 6.112 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039634 1071895629 /nfs/dbraw/zinc/89/56/29/1071895629.db2.gz HEPAMDVULIAYBF-QPKMOXKASA-N 0 0 709.840 6.720 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039756 1071896849 /nfs/dbraw/zinc/89/68/49/1071896849.db2.gz SAKUZZVTLZQINE-IKHSWBDUSA-N 0 0 635.786 6.155 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409038686 1071905842 /nfs/dbraw/zinc/90/58/42/1071905842.db2.gz AOYVLVTXFQNEEB-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038534 1071907870 /nfs/dbraw/zinc/90/78/70/1071907870.db2.gz PAEYMGZXPJKHLM-NQUBGTRZSA-N 0 0 704.289 6.673 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409048915 1071913991 /nfs/dbraw/zinc/91/39/91/1071913991.db2.gz UNUGDRKQAUXLFA-GIJQJNRQSA-N 0 0 501.753 5.892 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049472 1071912967 /nfs/dbraw/zinc/91/29/67/1071912967.db2.gz RAICLKZJXMCOQK-OTHIGLTOSA-N 0 0 685.843 5.454 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047456 1071915650 /nfs/dbraw/zinc/91/56/50/1071915650.db2.gz MQQJZOYUFIHBBD-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409056174 1071923117 /nfs/dbraw/zinc/92/31/17/1071923117.db2.gz KYOAUIUOURIJCM-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)cc2Br)cc1 ZINC000409055516 1071927915 /nfs/dbraw/zinc/92/79/15/1071927915.db2.gz ZBMKFRFWTDYOGA-QRVIBDJDSA-N 0 0 603.401 7.809 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409054039 1071936055 /nfs/dbraw/zinc/93/60/55/1071936055.db2.gz QKEQBYJCOYDRIJ-OYKKKHCWSA-N 0 0 524.505 7.046 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409053908 1071937671 /nfs/dbraw/zinc/93/76/71/1071937671.db2.gz DLRVDUCDIZSJLG-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409053670 1071937690 /nfs/dbraw/zinc/93/76/90/1071937690.db2.gz OBICNOWGSJFTEZ-UUYOSTAYSA-N 0 0 626.368 7.887 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409053911 1071937698 /nfs/dbraw/zinc/93/76/98/1071937698.db2.gz DMZFWKFYNFXBQN-UHFFFAOYSA-N 0 0 626.463 6.059 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409052758 1071945362 /nfs/dbraw/zinc/94/53/62/1071945362.db2.gz MAPPBUFLOVUEAZ-CFRMEGHHSA-N 0 0 540.504 6.747 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409052604 1071945822 /nfs/dbraw/zinc/94/58/22/1071945822.db2.gz HGAZLGJSHOUWNT-OYKKKHCWSA-N 0 0 572.521 7.276 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409052394 1071946367 /nfs/dbraw/zinc/94/63/67/1071946367.db2.gz DNHFHZLQTMBTDR-STGXNMSHSA-N 0 0 567.686 5.065 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409052393 1071946404 /nfs/dbraw/zinc/94/64/04/1071946404.db2.gz DNHFHZLQTMBTDR-NJGZBDCRSA-N 0 0 567.686 5.065 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409050433 1071956256 /nfs/dbraw/zinc/95/62/56/1071956256.db2.gz VPFHFTSNYFFNQQ-MKMNVTDBSA-N 0 0 755.175 6.885 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409049801 1071962108 /nfs/dbraw/zinc/96/21/08/1071962108.db2.gz XMNZAIKQEDQTEI-LZYBPNLTSA-N 0 0 570.643 7.199 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409049204 1071966325 /nfs/dbraw/zinc/96/63/25/1071966325.db2.gz VPADWXXYINIARZ-UHFFFAOYSA-N 0 0 673.463 5.901 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409048687 1071968304 /nfs/dbraw/zinc/96/83/04/1071968304.db2.gz UNPBZHPBAFAYFC-UHFFFAOYSA-N 0 0 607.471 6.653 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048587 1071969813 /nfs/dbraw/zinc/96/98/13/1071969813.db2.gz SKFRAJOYDVIKBF-OEAKJJBVSA-N 0 0 595.437 5.822 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000409047979 1071974376 /nfs/dbraw/zinc/97/43/76/1071974376.db2.gz VKRSECOROMCPRD-MIUGUJGPSA-N 0 0 669.041 6.411 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047701 1071977771 /nfs/dbraw/zinc/97/77/71/1071977771.db2.gz QAOQIJFOXDHWGA-UHFFFAOYSA-N 0 0 588.403 7.064 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409059111 1071982851 /nfs/dbraw/zinc/98/28/51/1071982851.db2.gz PFLUOBGKVAYBIF-AFPJDJCSSA-N 0 0 545.850 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058766 1071984491 /nfs/dbraw/zinc/98/44/91/1071984491.db2.gz LBCGEUDCIDSFGA-JLPGSUDCSA-N 0 0 505.014 5.671 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409058485 1071986659 /nfs/dbraw/zinc/98/66/59/1071986659.db2.gz NKCYGTVNVBAWMM-ONUIUJJFSA-N 0 0 512.606 5.765 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409058562 1071987143 /nfs/dbraw/zinc/98/71/43/1071987143.db2.gz YUKHQPJVQXGLIP-MYYYXRDXSA-N 0 0 500.595 5.605 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409057763 1071990673 /nfs/dbraw/zinc/99/06/73/1071990673.db2.gz HWIMFSDYXCOZLH-YSGLVZJUSA-N 0 0 607.776 5.631 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409057474 1071992520 /nfs/dbraw/zinc/99/25/20/1071992520.db2.gz QOTPKRLFOWPDTH-ROTLSHHCSA-N 0 0 553.442 6.455 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409067060 1071999730 /nfs/dbraw/zinc/99/97/30/1071999730.db2.gz JAUXYCSNCVNZFM-FMCGGJTJSA-N 0 0 539.857 6.696 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409066871 1072000398 /nfs/dbraw/zinc/00/03/98/1072000398.db2.gz XBRRFSAISUZVQX-ZGOFBEGVSA-N 0 0 546.092 5.168 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409065307 1072011510 /nfs/dbraw/zinc/01/15/10/1072011510.db2.gz FVFHCGOZIJDBCS-QRVIBDJDSA-N 0 0 539.857 6.696 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409063749 1072018979 /nfs/dbraw/zinc/01/89/79/1072018979.db2.gz MPBZCSNEZUVCFM-QARYAGPDSA-N 0 0 566.510 5.513 40 10 KKCBRN O=C1C(=Cc2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409063272 1072022468 /nfs/dbraw/zinc/02/24/68/1072022468.db2.gz JTJPWPMKRJDDQD-UHFFFAOYSA-N 0 0 564.960 6.798 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409063599 1072019932 /nfs/dbraw/zinc/01/99/32/1072019932.db2.gz AEYPYXSTMZNBQP-OUBWWKSTSA-N 0 0 550.269 7.585 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409062657 1072023811 /nfs/dbraw/zinc/02/38/11/1072023811.db2.gz YLLQCOWNRSFSAU-WYQLEPPDSA-N 0 0 584.141 5.498 40 10 KKCBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409062202 1072025511 /nfs/dbraw/zinc/02/55/11/1072025511.db2.gz POYLVWYEMOMXJO-JJFYIABZSA-N 0 0 548.879 6.202 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061880 1072026946 /nfs/dbraw/zinc/02/69/46/1072026946.db2.gz JNRGTOKRNLRCDD-XKZIYDEJSA-N 0 0 555.856 6.396 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409061965 1072027029 /nfs/dbraw/zinc/02/70/29/1072027029.db2.gz KRVUSMMICZZMSQ-UNOMPAQXSA-N 0 0 515.824 6.932 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409061473 1072029331 /nfs/dbraw/zinc/02/93/31/1072029331.db2.gz XQTTZYXJCKOBHF-LHMNITIUSA-N 0 0 595.765 5.649 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409061042 1072031351 /nfs/dbraw/zinc/03/13/51/1072031351.db2.gz BOTYCSBEFVTDPY-UCQKPKSFSA-N 0 0 551.437 5.751 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409060690 1072032825 /nfs/dbraw/zinc/03/28/25/1072032825.db2.gz SXHWMMSCMOBKNO-MYYYXRDXSA-N 0 0 533.024 6.110 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409059975 1072036449 /nfs/dbraw/zinc/03/64/49/1072036449.db2.gz TVBJOPMEZJSNBC-OYKKKHCWSA-N 0 0 509.433 6.977 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409077116 1072043745 /nfs/dbraw/zinc/04/37/45/1072043745.db2.gz CXMGXOSBYRNIQS-IKVOSHDESA-N 0 0 589.360 6.724 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409076963 1072046075 /nfs/dbraw/zinc/04/60/75/1072046075.db2.gz CBBKNEOAOJXFRH-GONGWJOBSA-N 0 0 588.733 5.598 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076651 1072049001 /nfs/dbraw/zinc/04/90/01/1072049001.db2.gz BJGMUDSTAGGQJP-UHFFFAOYSA-N 0 0 659.405 6.650 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076348 1072052327 /nfs/dbraw/zinc/05/23/27/1072052327.db2.gz AXHWPZNDILSUTE-XJNHXSSVSA-N 0 0 726.693 7.043 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409076346 1072052344 /nfs/dbraw/zinc/05/23/44/1072052344.db2.gz AXHWPZNDILSUTE-KXBQFYOSSA-N 0 0 726.693 7.043 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075844 1072055717 /nfs/dbraw/zinc/05/57/17/1072055717.db2.gz URRFPXFOJWOUJF-UHFFFAOYSA-N 0 0 637.497 6.743 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409073949 1072070635 /nfs/dbraw/zinc/07/06/35/1072070635.db2.gz UXZMEDWCDJJHBS-FMCGGJTJSA-N 0 0 528.958 6.952 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409074040 1072071294 /nfs/dbraw/zinc/07/12/94/1072071294.db2.gz RORKHWWIRKSJJL-JFLMPSFJSA-N 0 0 576.878 7.186 40 10 KKCBRN O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409073709 1072072722 /nfs/dbraw/zinc/07/27/22/1072072722.db2.gz HWOLFTZYFIDIMY-UHFFFAOYSA-N 0 0 558.999 5.691 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000409073576 1072074428 /nfs/dbraw/zinc/07/44/28/1072074428.db2.gz QJICFSWYIXSQJK-UHFFFAOYSA-N 0 0 538.581 5.346 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409071102 1072091669 /nfs/dbraw/zinc/09/16/69/1072091669.db2.gz ONCIGDULADXLDQ-JLPGSUDCSA-N 0 0 505.014 6.332 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070009 1072097669 /nfs/dbraw/zinc/09/76/69/1072097669.db2.gz KHGMZXBOMYRZMW-UHFFFAOYSA-N 0 0 603.052 6.090 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409068658 1072110804 /nfs/dbraw/zinc/11/08/04/1072110804.db2.gz SJPHZPOOBLPFQA-UHFFFAOYSA-N 0 0 627.889 6.998 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000409080654 1072119664 /nfs/dbraw/zinc/11/96/64/1072119664.db2.gz FNVFMDYBPZKUPO-OGMUYLFESA-N 0 0 700.602 5.895 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409080490 1072123791 /nfs/dbraw/zinc/12/37/91/1072123791.db2.gz IEHDNDROPIXBMT-ONUIUJJFSA-N 0 0 543.450 7.806 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409079936 1072127522 /nfs/dbraw/zinc/12/75/22/1072127522.db2.gz CLCAACJCBSXBAJ-ITYLOYPMSA-N 0 0 573.070 6.649 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(F)cc1 ZINC000409078914 1072139152 /nfs/dbraw/zinc/13/91/52/1072139152.db2.gz JCXUXESJOSSRHS-XYGWBWBKSA-N 0 0 604.419 6.852 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409078596 1072144918 /nfs/dbraw/zinc/14/49/18/1072144918.db2.gz IMJHCWNFKCOAHW-IPLHSMHLSA-N 0 0 505.661 6.198 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409077965 1072150600 /nfs/dbraw/zinc/15/06/00/1072150600.db2.gz GVSVDHQNMJLOCP-OFWBYEQRSA-N 0 0 510.593 7.262 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409077996 1072150992 /nfs/dbraw/zinc/15/09/92/1072150992.db2.gz GGRCJKBVADLPQU-UHFFFAOYSA-N 0 0 710.593 8.170 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)S1 ZINC000409077691 1072153737 /nfs/dbraw/zinc/15/37/37/1072153737.db2.gz FJMRYGFODJADBE-FRKPEAEDSA-N 0 0 589.103 5.660 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409086539 1072164623 /nfs/dbraw/zinc/16/46/23/1072164623.db2.gz QVTAFUJEDSTQRZ-UUMRFZBWSA-N 0 0 595.524 5.958 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086568 1072165247 /nfs/dbraw/zinc/16/52/47/1072165247.db2.gz VZJZOMVMAVBGCW-UHFFFAOYSA-N 0 0 682.405 7.760 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409085543 1072176646 /nfs/dbraw/zinc/17/66/46/1072176646.db2.gz ZTWMWADNVMIVAC-UHFFFAOYSA-N 0 0 629.379 6.641 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)S1 ZINC000409084714 1072187380 /nfs/dbraw/zinc/18/73/80/1072187380.db2.gz QCCQLMBDFPXREU-RGVLZGJSSA-N 0 0 560.267 6.050 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409084478 1072188066 /nfs/dbraw/zinc/18/80/66/1072188066.db2.gz XIJSSCAXGFYULX-PADWCVLASA-N 0 0 514.883 6.606 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409084566 1072189111 /nfs/dbraw/zinc/18/91/11/1072189111.db2.gz MHAPOHMPJDORTH-PADWCVLASA-N 0 0 559.334 6.715 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409084082 1072193962 /nfs/dbraw/zinc/19/39/62/1072193962.db2.gz PCDFINRKAVGGET-SOFYTKRASA-N 0 0 538.460 5.556 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc2ccccc21 ZINC000409083614 1072198234 /nfs/dbraw/zinc/19/82/34/1072198234.db2.gz TVHMQWWGGFUPIZ-COEJQBHMSA-N 0 0 650.516 8.257 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083054 1072204805 /nfs/dbraw/zinc/20/48/05/1072204805.db2.gz UPGCCPLKQGMKMC-ULJHMMPZSA-N 0 0 527.393 7.002 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082905 1072206194 /nfs/dbraw/zinc/20/61/94/1072206194.db2.gz UBOLWSBYDRQEIV-ITYLOYPMSA-N 0 0 527.393 7.002 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc(F)c1 ZINC000409082476 1072211442 /nfs/dbraw/zinc/21/14/42/1072211442.db2.gz SPBXCLIJNKILHD-ONUIUJJFSA-N 0 0 618.446 7.243 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409081452 1072223012 /nfs/dbraw/zinc/22/30/12/1072223012.db2.gz PEAXKAHKKATHAB-QOMWVZHYSA-N 0 0 524.598 5.688 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409081843 1072217979 /nfs/dbraw/zinc/21/79/79/1072217979.db2.gz QMVJWVRVBROZLJ-BABSMXRMSA-N 0 0 631.557 6.802 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409081903 1072218463 /nfs/dbraw/zinc/21/84/63/1072218463.db2.gz QXWXDONEASZPOK-BCUAHEQISA-N 0 0 521.016 5.216 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081785 1072220438 /nfs/dbraw/zinc/22/04/38/1072220438.db2.gz HZTCJTATPHBRIZ-HAHDFKILSA-N 0 0 672.782 7.467 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081801 1072220800 /nfs/dbraw/zinc/22/08/00/1072220800.db2.gz OKTSXLCTSNHAAN-UHFFFAOYSA-N 0 0 594.536 6.277 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409081389 1072222691 /nfs/dbraw/zinc/22/26/91/1072222691.db2.gz PVGCYSMYJNXADX-UHFFFAOYSA-N 0 0 550.483 5.879 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409326402 1072247159 /nfs/dbraw/zinc/24/71/59/1072247159.db2.gz BJLLMCDGZUFDNX-XYGWBWBKSA-N 0 0 550.658 5.526 40 10 KKCBRN CN1CCN(c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2[N+](=O)[O-])CC1 ZINC000409095466 1072239956 /nfs/dbraw/zinc/23/99/56/1072239956.db2.gz HOTVPRNORBOAGU-PCLIKHOPSA-N 0 0 577.663 5.144 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409326431 1072247597 /nfs/dbraw/zinc/24/75/97/1072247597.db2.gz BQYWUABFBZGLDO-BKUYFWCQSA-N 0 0 561.466 6.253 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409326873 1072244009 /nfs/dbraw/zinc/24/40/09/1072244009.db2.gz FRQRBJWNIDZGPN-DHRITJCHSA-N 0 0 548.642 5.546 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409326906 1072244101 /nfs/dbraw/zinc/24/41/01/1072244101.db2.gz GHSIAFCMPPEAMI-CAOOACKPSA-N 0 0 573.284 5.178 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409326672 1072244558 /nfs/dbraw/zinc/24/45/58/1072244558.db2.gz DDZMNTLFPDACQK-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c1 ZINC000409326706 1072245005 /nfs/dbraw/zinc/24/50/05/1072245005.db2.gz DPMOENCATLLTCU-MSXFZWOLSA-N 0 0 509.483 7.711 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409094606 1072245368 /nfs/dbraw/zinc/24/53/68/1072245368.db2.gz DSPCAJWEHNLUCZ-JFLMPSFJSA-N 0 0 684.008 8.487 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCC(=O)OC ZINC000409326634 1072246737 /nfs/dbraw/zinc/24/67/37/1072246737.db2.gz CQULLWCQUDPJJZ-FYJGNVAPSA-N 0 0 558.475 5.959 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409326456 1072248086 /nfs/dbraw/zinc/24/80/86/1072248086.db2.gz BVYWUQVYWCAHFS-UCQKPKSFSA-N 0 0 571.474 6.741 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409326320 1072249518 /nfs/dbraw/zinc/24/95/18/1072249518.db2.gz AEERFLLTTDBRIK-JJFYIABZSA-N 0 0 595.367 8.058 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409093578 1072251787 /nfs/dbraw/zinc/25/17/87/1072251787.db2.gz AWFVJEJETKBTSY-RGVLZGJSSA-N 0 0 513.959 6.045 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093047 1072258465 /nfs/dbraw/zinc/25/84/65/1072258465.db2.gz YVRDINAADOGWLO-ZTJHJZSNSA-N 0 0 729.491 6.138 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409092624 1072262257 /nfs/dbraw/zinc/26/22/57/1072262257.db2.gz VTWYVYLEHRJKHJ-UHFFFAOYSA-N 0 0 500.963 6.668 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409091827 1072268021 /nfs/dbraw/zinc/26/80/21/1072268021.db2.gz SDJUJZCEMROWBZ-UHFFFAOYSA-N 0 0 642.373 8.296 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409092143 1072265654 /nfs/dbraw/zinc/26/56/54/1072265654.db2.gz VPVRAVACLSCJNN-BCUAHEQISA-N 0 0 535.441 5.317 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1[N+](=O)[O-] ZINC000409089944 1072285697 /nfs/dbraw/zinc/28/56/97/1072285697.db2.gz PHROUMUXSYIXHH-BUVRLJJBSA-N 0 0 550.637 6.238 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409089820 1072287006 /nfs/dbraw/zinc/28/70/06/1072287006.db2.gz KJLVZIHGRQDSNW-CNJGYECJSA-N 0 0 537.444 5.250 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088796 1072295808 /nfs/dbraw/zinc/29/58/08/1072295808.db2.gz HBOQFXVOAUNKJJ-XYGWBWBKSA-N 0 0 533.842 8.060 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087961 1072301523 /nfs/dbraw/zinc/30/15/23/1072301523.db2.gz VHAIAQQUXHQTAZ-XYGWBWBKSA-N 0 0 544.394 7.315 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000409088036 1072302465 /nfs/dbraw/zinc/30/24/65/1072302465.db2.gz VTDKWTPCQTUUBZ-OGMUYLFESA-N 0 0 653.602 6.053 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087529 1072306728 /nfs/dbraw/zinc/30/67/28/1072306728.db2.gz CXWATKQMNUTAQQ-OFWBYEQRSA-N 0 0 515.012 7.907 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br ZINC000409087484 1072309154 /nfs/dbraw/zinc/30/91/54/1072309154.db2.gz YXCDWPRGRNHHEL-ZHZULCJRSA-N 0 0 540.255 6.835 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101909 1072311776 /nfs/dbraw/zinc/31/17/76/1072311776.db2.gz ZGAAKOYSQKSNCK-JBDHCHCMSA-N 0 0 628.025 6.471 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409101563 1072313370 /nfs/dbraw/zinc/31/33/70/1072313370.db2.gz YHGXXWPBYHQPKI-STBIYBPSSA-N 0 0 584.694 7.380 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409101355 1072315952 /nfs/dbraw/zinc/31/59/52/1072315952.db2.gz BJMAQYSLLNPPAT-ZCTHSVRISA-N 0 0 625.146 8.869 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409099857 1072323319 /nfs/dbraw/zinc/32/33/19/1072323319.db2.gz MBBOJPIEIJHMHM-LQKURTRISA-N 0 0 615.664 6.980 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1 ZINC000409099829 1072323351 /nfs/dbraw/zinc/32/33/51/1072323351.db2.gz UJFVNNHZIOABRC-FSJBWODESA-N 0 0 544.460 6.475 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409335898 1072334950 /nfs/dbraw/zinc/33/49/50/1072334950.db2.gz ZNMLDHFLGZKCNE-WGOQTCKBSA-N 0 0 532.687 6.238 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409097724 1072336465 /nfs/dbraw/zinc/33/64/65/1072336465.db2.gz JEYCYGQCLBBOJR-YDZHTSKRSA-N 0 0 552.605 5.044 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409335621 1072337109 /nfs/dbraw/zinc/33/71/09/1072337109.db2.gz XVMBTPGBMJMGTP-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 ZINC000409097355 1072337864 /nfs/dbraw/zinc/33/78/64/1072337864.db2.gz NBDISBRUISORMH-PCLIKHOPSA-N 0 0 518.639 5.234 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409335424 1072338150 /nfs/dbraw/zinc/33/81/50/1072338150.db2.gz ZWYOVRGWLKXBOE-UCQKPKSFSA-N 0 0 528.120 7.445 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409335292 1072338932 /nfs/dbraw/zinc/33/89/32/1072338932.db2.gz ZXYXGUFWZWJQBJ-UUYOSTAYSA-N 0 0 561.468 7.285 40 10 KKCBRN COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000409106954 1072339817 /nfs/dbraw/zinc/33/98/17/1072339817.db2.gz NOMVMSSUXZSXMZ-UHFFFAOYSA-N 0 0 513.619 5.052 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409334933 1072342583 /nfs/dbraw/zinc/34/25/83/1072342583.db2.gz XZPYTURXENLMLP-UCQKPKSFSA-N 0 0 585.501 7.049 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409335009 1072341260 /nfs/dbraw/zinc/34/12/60/1072341260.db2.gz YHJCTSOFTKDAEQ-SSDVNMTOSA-N 0 0 654.391 6.898 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409106605 1072343130 /nfs/dbraw/zinc/34/31/30/1072343130.db2.gz OEXOPVYFDRLPIR-RGFRMHDHSA-N 0 0 638.031 5.927 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000409334805 1072344176 /nfs/dbraw/zinc/34/41/76/1072344176.db2.gz WHQVAOSPJCPRSN-WOJGMQOQSA-N 0 0 593.430 6.903 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409106246 1072344383 /nfs/dbraw/zinc/34/43/83/1072344383.db2.gz MUUVKJGNMYZNQU-AFUMVMLFSA-N 0 0 539.053 6.314 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409334671 1072344952 /nfs/dbraw/zinc/34/49/52/1072344952.db2.gz VQYHJUBIYSYCFW-WOJGMQOQSA-N 0 0 510.356 7.134 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409334422 1072345525 /nfs/dbraw/zinc/34/55/25/1072345525.db2.gz XRHYHNNPOLWPTC-NHDPSOOVSA-N 0 0 527.511 5.849 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409105823 1072347152 /nfs/dbraw/zinc/34/71/52/1072347152.db2.gz OZRPNJKIHMLWTF-RGFRMHDHSA-N 0 0 685.031 5.769 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c(C)c1 ZINC000409334171 1072348026 /nfs/dbraw/zinc/34/80/26/1072348026.db2.gz VUIWTAITTHJQED-QRVIBDJDSA-N 0 0 500.472 7.595 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409334160 1072348137 /nfs/dbraw/zinc/34/81/37/1072348137.db2.gz VRWHSTDZMPWLND-BUVRLJJBSA-N 0 0 520.632 5.436 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C2=O)cc1 ZINC000409105629 1072348291 /nfs/dbraw/zinc/34/82/91/1072348291.db2.gz NPWKPLIHQLPRQZ-UXHLAJHPSA-N 0 0 599.684 6.886 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OCc2ccccc2)c1 ZINC000409334214 1072348476 /nfs/dbraw/zinc/34/84/76/1072348476.db2.gz WGPVPEOXIKXVAB-VULFUBBASA-N 0 0 518.660 6.246 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409334206 1072348500 /nfs/dbraw/zinc/34/85/00/1072348500.db2.gz WFAPXJINQSRSEG-ZMOGYAJESA-N 0 0 557.049 6.640 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409334244 1072348509 /nfs/dbraw/zinc/34/85/09/1072348509.db2.gz WIYGDNFEEMEVRA-WSDLNYQXSA-N 0 0 624.018 7.004 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409105393 1072349956 /nfs/dbraw/zinc/34/99/56/1072349956.db2.gz IYXFEWZNCRCKAR-IAOUMNOZSA-N 0 0 559.135 5.165 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409332900 1072357667 /nfs/dbraw/zinc/35/76/67/1072357667.db2.gz SEPPSWNARNANOT-BKUYFWCQSA-N 0 0 599.943 7.066 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1Cl ZINC000409333570 1072352449 /nfs/dbraw/zinc/35/24/49/1072352449.db2.gz ULARYYILMPZWIU-NHDPSOOVSA-N 0 0 500.985 6.539 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCC ZINC000409333624 1072352894 /nfs/dbraw/zinc/35/28/94/1072352894.db2.gz UWGRXPFOROXBGV-YVLHZVERSA-N 0 0 579.403 6.513 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccccc1F ZINC000409333521 1072354165 /nfs/dbraw/zinc/35/41/65/1072354165.db2.gz SOAAAELEVNRFQO-JAIQZWGSSA-N 0 0 511.962 6.760 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409333513 1072354182 /nfs/dbraw/zinc/35/41/82/1072354182.db2.gz UFIBZMAFPSFWGB-YDZHTSKRSA-N 0 0 524.645 6.310 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409332932 1072358126 /nfs/dbraw/zinc/35/81/26/1072358126.db2.gz SLWGJCYFYYJQSW-XYGWBWBKSA-N 0 0 524.708 6.254 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c(OC)c1 ZINC000409103991 1072358296 /nfs/dbraw/zinc/35/82/96/1072358296.db2.gz XWFRAQYIJFHOOT-PCLIKHOPSA-N 0 0 535.666 6.339 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409104238 1072355927 /nfs/dbraw/zinc/35/59/27/1072355927.db2.gz CANNZAISQLKLMV-JVWAILMASA-N 0 0 609.531 8.370 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409332683 1072358427 /nfs/dbraw/zinc/35/84/27/1072358427.db2.gz QXEPERBVRWIXFF-OPEKNORGSA-N 0 0 589.020 8.375 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409332945 1072356311 /nfs/dbraw/zinc/35/63/11/1072356311.db2.gz SPAHFIVPUZOQEK-FMCGGJTJSA-N 0 0 559.496 6.815 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409332961 1072356432 /nfs/dbraw/zinc/35/64/32/1072356432.db2.gz STJNXTWLIRUYGX-YUMHPJSZSA-N 0 0 511.071 7.902 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409332798 1072357346 /nfs/dbraw/zinc/35/73/46/1072357346.db2.gz RHFMHQNDYMGHAM-VULFUBBASA-N 0 0 532.042 7.207 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409332076 1072363307 /nfs/dbraw/zinc/36/33/07/1072363307.db2.gz PHQMNJWRPNPLMM-JMIUGGIZSA-N 0 0 663.762 8.869 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409332109 1072363795 /nfs/dbraw/zinc/36/37/95/1072363795.db2.gz QAMBHGAGISXDFH-JJFYIABZSA-N 0 0 585.361 8.684 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409332187 1072364221 /nfs/dbraw/zinc/36/42/21/1072364221.db2.gz PTMQOGPCNQVWNB-NUGSKGIGSA-N 0 0 547.891 8.195 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409331824 1072366482 /nfs/dbraw/zinc/36/64/82/1072366482.db2.gz OFLBUVKVNBSNRJ-ZVHZXABRSA-N 0 0 522.623 5.956 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409331865 1072367045 /nfs/dbraw/zinc/36/70/45/1072367045.db2.gz PAPQPOQZEHOBQO-IWIPYMOSSA-N 0 0 522.604 5.987 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1 ZINC000409102375 1072367246 /nfs/dbraw/zinc/36/72/46/1072367246.db2.gz ZBRKZLHKKDQDMG-JVWAILMASA-N 0 0 575.086 7.716 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409331687 1072367428 /nfs/dbraw/zinc/36/74/28/1072367428.db2.gz OYTVREKMOIIAJC-GATIEOLUSA-N 0 0 612.431 9.131 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409331669 1072367439 /nfs/dbraw/zinc/36/74/39/1072367439.db2.gz OGPWDKQULVVQCF-LSFURLLWSA-N 0 0 664.257 9.446 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409331206 1072370735 /nfs/dbraw/zinc/37/07/35/1072370735.db2.gz MQNOBCYKHWFREF-GIJQJNRQSA-N 0 0 619.886 5.310 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1 ZINC000409331255 1072370826 /nfs/dbraw/zinc/37/08/26/1072370826.db2.gz NBZVGPMZWAROPG-WSDLNYQXSA-N 0 0 625.444 7.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O ZINC000409330714 1072375434 /nfs/dbraw/zinc/37/54/34/1072375434.db2.gz LKQBUWUKVIWWOF-PXNMLYILSA-N 0 0 515.248 5.722 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409330356 1072377145 /nfs/dbraw/zinc/37/71/45/1072377145.db2.gz LIVFEKWVCJPFBJ-QFEZKATASA-N 0 0 566.535 7.159 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409330601 1072377217 /nfs/dbraw/zinc/37/72/17/1072377217.db2.gz KYZNEUKZRFUJBM-OYKKKHCWSA-N 0 0 552.508 6.851 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330375 1072377296 /nfs/dbraw/zinc/37/72/96/1072377296.db2.gz LMOLYOKRDQLHQT-PKAZHMFMSA-N 0 0 546.714 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409330361 1072377303 /nfs/dbraw/zinc/37/73/03/1072377303.db2.gz LKGBPEZCSYCPCX-MTJSOVHGSA-N 0 0 604.447 6.193 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OCC ZINC000409330394 1072377661 /nfs/dbraw/zinc/37/76/61/1072377661.db2.gz LWSFWVVNUAKKGF-ODLFYWEKSA-N 0 0 542.904 6.704 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330219 1072378570 /nfs/dbraw/zinc/37/85/70/1072378570.db2.gz JWRDLKVVFDTLPZ-JMIUGGIZSA-N 0 0 543.966 6.363 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409330259 1072379059 /nfs/dbraw/zinc/37/90/59/1072379059.db2.gz KLFKFSFJVCVFMF-YBFXNURJSA-N 0 0 510.509 5.105 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409329758 1072382041 /nfs/dbraw/zinc/38/20/41/1072382041.db2.gz HSZQJCHWXUTINM-JJFYIABZSA-N 0 0 634.917 6.443 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409329879 1072380446 /nfs/dbraw/zinc/38/04/46/1072380446.db2.gz IEDZQZXMBVCREG-NHDPSOOVSA-N 0 0 578.410 6.550 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409329893 1072380457 /nfs/dbraw/zinc/38/04/57/1072380457.db2.gz INHOBGZWJCRCLD-YDZHTSKRSA-N 0 0 546.497 7.386 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409329515 1072384869 /nfs/dbraw/zinc/38/48/69/1072384869.db2.gz DYHPJDKFNWSUPB-JFLMPSFJSA-N 0 0 688.008 8.490 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409329305 1072385345 /nfs/dbraw/zinc/38/53/45/1072385345.db2.gz DJOVEKCKQVZARO-JMIUGGIZSA-N 0 0 549.855 7.293 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409329390 1072385819 /nfs/dbraw/zinc/38/58/19/1072385819.db2.gz FOGCKZVYQBOSLQ-WYMPLXKRSA-N 0 0 536.587 5.707 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409329163 1072386136 /nfs/dbraw/zinc/38/61/36/1072386136.db2.gz DGIWMOHSAMLCLJ-CAOOACKPSA-N 0 0 591.730 6.213 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409329165 1072386274 /nfs/dbraw/zinc/38/62/74/1072386274.db2.gz DGWWGALHNNRDLX-IWIPYMOSSA-N 0 0 533.631 6.142 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409329205 1072386729 /nfs/dbraw/zinc/38/67/29/1072386729.db2.gz BZRQEDYAPAUBKU-RGVLZGJSSA-N 0 0 520.415 6.454 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409329178 1072386751 /nfs/dbraw/zinc/38/67/51/1072386751.db2.gz DMKSDWQXKJMWOE-MFOYZWKCSA-N 0 0 533.296 6.565 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000409329025 1072387584 /nfs/dbraw/zinc/38/75/84/1072387584.db2.gz CHEDBFGFVJCQIR-CPNJWEJPSA-N 0 0 539.460 6.193 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)c1 ZINC000409329017 1072387590 /nfs/dbraw/zinc/38/75/90/1072387590.db2.gz CEZWCMHMJGCJPQ-ZMOGYAJESA-N 0 0 599.597 7.211 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2OC)cc1 ZINC000409329125 1072387958 /nfs/dbraw/zinc/38/79/58/1072387958.db2.gz CWBPMLVSWRQCAN-BUVRLJJBSA-N 0 0 522.623 5.820 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409328911 1072388877 /nfs/dbraw/zinc/38/88/77/1072388877.db2.gz AFOVBBICWIEXLY-REZTVBANSA-N 0 0 519.269 6.569 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328968 1072389471 /nfs/dbraw/zinc/38/94/71/1072389471.db2.gz BGCQVNBVQMMOLN-QQXSKIMKSA-N 0 0 668.534 7.736 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000409328961 1072389551 /nfs/dbraw/zinc/38/95/51/1072389551.db2.gz BDCHBNIQGAMMSX-FYJGNVAPSA-N 0 0 557.413 5.374 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409328788 1072390446 /nfs/dbraw/zinc/39/04/46/1072390446.db2.gz AUCRTLVXKJAVRF-LGJNPRDNSA-N 0 0 663.421 7.856 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328851 1072390844 /nfs/dbraw/zinc/39/08/44/1072390844.db2.gz BLFPXASRMUHDJG-SSDVNMTOSA-N 0 0 684.815 8.157 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1C ZINC000409328595 1072390849 /nfs/dbraw/zinc/39/08/49/1072390849.db2.gz YHELNTFPDRTAQI-WSDLNYQXSA-N 0 0 623.819 8.467 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409328604 1072390881 /nfs/dbraw/zinc/39/08/81/1072390881.db2.gz YNQZMSDWNSVGHP-LICLKQGHSA-N 0 0 579.403 6.513 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409328687 1072391898 /nfs/dbraw/zinc/39/18/98/1072391898.db2.gz ZVPPWLZFJYDNNU-OYKKKHCWSA-N 0 0 537.479 7.305 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409328531 1072392750 /nfs/dbraw/zinc/39/27/50/1072392750.db2.gz XCQYTJDEEHMHIX-VULFUBBASA-N 0 0 616.592 6.973 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409328530 1072392844 /nfs/dbraw/zinc/39/28/44/1072392844.db2.gz XCDFDCVBKIRUKG-UYRXBGFRSA-N 0 0 554.475 5.560 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409328317 1072393655 /nfs/dbraw/zinc/39/36/55/1072393655.db2.gz RXYXGWDJQNLCSZ-BRJLIKDPSA-N 0 0 527.627 5.410 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328361 1072393732 /nfs/dbraw/zinc/39/37/32/1072393732.db2.gz SVUPDOCNZGXNDO-NHDPSOOVSA-N 0 0 638.892 6.846 40 10 KKCBRN CN(C)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1Br ZINC000409110832 1072394871 /nfs/dbraw/zinc/39/48/71/1072394871.db2.gz HASNUCZXEZGXDJ-LJAQVGFWSA-N 0 0 571.475 6.785 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409327948 1072397395 /nfs/dbraw/zinc/39/73/95/1072397395.db2.gz NYCZIZWSGSBQHT-MSXFZWOLSA-N 0 0 651.526 7.517 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409327733 1072398233 /nfs/dbraw/zinc/39/82/33/1072398233.db2.gz MDIHEDTUWPPQSY-XYGWBWBKSA-N 0 0 509.096 7.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409327742 1072398305 /nfs/dbraw/zinc/39/83/05/1072398305.db2.gz MFVUVEIMRRQUKK-MOSHPQCFSA-N 0 0 519.486 5.966 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409327765 1072398675 /nfs/dbraw/zinc/39/86/75/1072398675.db2.gz MPJRETAPTMVDBH-WYMPLXKRSA-N 0 0 540.548 7.331 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409327592 1072399613 /nfs/dbraw/zinc/39/96/13/1072399613.db2.gz LBRVNZGYQSDTKH-MTJSOVHGSA-N 0 0 505.970 7.344 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409327585 1072399636 /nfs/dbraw/zinc/39/96/36/1072399636.db2.gz KZJBNZFVBNJDNY-WGARJPEWSA-N 0 0 692.427 9.135 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409327401 1072400724 /nfs/dbraw/zinc/40/07/24/1072400724.db2.gz JNRZNZZLKILTOY-MTJSOVHGSA-N 0 0 591.892 7.004 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409327498 1072401271 /nfs/dbraw/zinc/40/12/71/1072401271.db2.gz KEHUTZXAJKIMKC-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409327355 1072402386 /nfs/dbraw/zinc/40/23/86/1072402386.db2.gz JGNJPQZOOMUHAG-JAIQZWGSSA-N 0 0 531.428 5.977 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409327382 1072402911 /nfs/dbraw/zinc/40/29/11/1072402911.db2.gz JJBXDURAHKHFBU-DHRITJCHSA-N 0 0 519.688 6.531 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108811 1072405323 /nfs/dbraw/zinc/40/53/23/1072405323.db2.gz WFCSBLNKQMIRCX-NNAGEYCMSA-N 0 0 589.161 5.173 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409108550 1072405818 /nfs/dbraw/zinc/40/58/18/1072405818.db2.gz WSWDOTCRYZZXCB-JBDHCHCMSA-N 0 0 611.570 5.957 40 10 KKCBRN Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409108422 1072406910 /nfs/dbraw/zinc/40/69/10/1072406910.db2.gz TUSODPNSPUZMJE-MTDXEUNCSA-N 0 0 554.668 7.371 40 10 KKCBRN Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCC[C@@H]5C)cc4N4CCCC[C@H]4C)c(=O)n3c2cc1C ZINC000409336834 1072408078 /nfs/dbraw/zinc/40/80/78/1072408078.db2.gz QMQMLZYBHSOUEP-CUNAVMFRSA-N 0 0 545.709 5.740 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409108182 1072409076 /nfs/dbraw/zinc/40/90/76/1072409076.db2.gz VWQXSYCOJZGNSX-UXHLAJHPSA-N 0 0 595.696 7.934 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409346967 1072410133 /nfs/dbraw/zinc/41/01/33/1072410133.db2.gz LVAKTDLXTNWYCA-OEAKJJBVSA-N 0 0 590.948 7.495 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409346858 1072411752 /nfs/dbraw/zinc/41/17/52/1072411752.db2.gz OPBFXUHGLGAADM-FSGOGVSDSA-N 0 0 582.747 7.785 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409346878 1072411806 /nfs/dbraw/zinc/41/18/06/1072411806.db2.gz OUXYMQAHZGCSPK-FBHDLOMBSA-N 0 0 613.755 7.989 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409346713 1072412929 /nfs/dbraw/zinc/41/29/29/1072412929.db2.gz ODSAUPRKTCXNOM-MXAYSNPKSA-N 0 0 580.663 6.003 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409346717 1072413490 /nfs/dbraw/zinc/41/34/90/1072413490.db2.gz ODSZVEUKTZZKHB-WPWMEQJKSA-N 0 0 576.537 7.986 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409346722 1072413503 /nfs/dbraw/zinc/41/35/03/1072413503.db2.gz ODWDBRDGJKSMNT-MXAYSNPKSA-N 0 0 631.400 8.903 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409346808 1072413797 /nfs/dbraw/zinc/41/37/97/1072413797.db2.gz LKHVOSWMKGDNPT-BOPFTXTBSA-N 0 0 507.445 6.284 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1 ZINC000409346546 1072413806 /nfs/dbraw/zinc/41/38/06/1072413806.db2.gz NTXSZQZJCPCPDC-SSDVNMTOSA-N 0 0 603.459 6.013 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409346625 1072415081 /nfs/dbraw/zinc/41/50/81/1072415081.db2.gz NGTFVVWFEMEZHU-JLPGSUDCSA-N 0 0 534.062 5.920 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409123571 1072415836 /nfs/dbraw/zinc/41/58/36/1072415836.db2.gz CVTDIZQJDCJFEU-HAHDFKILSA-N 0 0 598.462 5.978 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409123040 1072417952 /nfs/dbraw/zinc/41/79/52/1072417952.db2.gz DJRNUGILGKOUFK-ONUIUJJFSA-N 0 0 561.570 7.458 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409122830 1072420570 /nfs/dbraw/zinc/42/05/70/1072420570.db2.gz BVUGIAMRGPZXKX-JJFYIABZSA-N 0 0 549.943 6.993 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409345876 1072420702 /nfs/dbraw/zinc/42/07/02/1072420702.db2.gz LSNWCPBXAKSHFT-FBHDLOMBSA-N 0 0 517.415 6.886 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c1 ZINC000409345912 1072421150 /nfs/dbraw/zinc/42/11/50/1072421150.db2.gz MBZAYAJLEBZWMX-SRZZPIQSSA-N 0 0 625.404 8.057 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000409345739 1072422227 /nfs/dbraw/zinc/42/22/27/1072422227.db2.gz JIVNFLZWHDQSLM-AQTBWJFISA-N 0 0 525.433 5.885 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409345554 1072423311 /nfs/dbraw/zinc/42/33/11/1072423311.db2.gz JGJAAFBEQBHRKS-VCHYOVAHSA-N 0 0 566.861 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409345585 1072423316 /nfs/dbraw/zinc/42/33/16/1072423316.db2.gz JLTMTQUAHQZHPM-KSEXSDGBSA-N 0 0 556.459 6.171 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409345612 1072423675 /nfs/dbraw/zinc/42/36/75/1072423675.db2.gz JPSUEBKSRLEIQM-LPYMAVHISA-N 0 0 558.544 7.164 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c1 ZINC000409345438 1072424790 /nfs/dbraw/zinc/42/47/90/1072424790.db2.gz IJYRZYXUKIYAQO-LPYMAVHISA-N 0 0 528.518 7.156 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409345235 1072425219 /nfs/dbraw/zinc/42/52/19/1072425219.db2.gz KVSRICAINQTRME-BUVRLJJBSA-N 0 0 521.620 5.654 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)cc1Cl ZINC000409345292 1072425846 /nfs/dbraw/zinc/42/58/46/1072425846.db2.gz LFZSUPQSCWVGSO-WGOQTCKBSA-N 0 0 518.059 7.487 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409345078 1072426333 /nfs/dbraw/zinc/42/63/33/1072426333.db2.gz KCUCAUBWEUSOLS-OEAKJJBVSA-N 0 0 541.050 5.482 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409345190 1072427510 /nfs/dbraw/zinc/42/75/10/1072427510.db2.gz KPUOBTUKNUJBEF-YUMHPJSZSA-N 0 0 575.111 7.315 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409345045 1072428389 /nfs/dbraw/zinc/42/83/89/1072428389.db2.gz JWWIAOKWIMMLAS-JMIUGGIZSA-N 0 0 538.319 7.569 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1C ZINC000409344491 1072431137 /nfs/dbraw/zinc/43/11/37/1072431137.db2.gz HANIDCHOVJZYFX-FMCGGJTJSA-N 0 0 587.948 7.143 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409344597 1072431695 /nfs/dbraw/zinc/43/16/95/1072431695.db2.gz HKFBMTFGDBOXGN-UDWIEESQSA-N 0 0 592.334 6.600 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409344342 1072432184 /nfs/dbraw/zinc/43/21/84/1072432184.db2.gz IVOJTWJIDZVKHI-XKZIYDEJSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409344360 1072432214 /nfs/dbraw/zinc/43/22/14/1072432214.db2.gz IXLMIMJZIRNBRM-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409344409 1072432889 /nfs/dbraw/zinc/43/28/89/1072432889.db2.gz JEDZAMJBJNMAFS-BKUYFWCQSA-N 0 0 593.895 6.938 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409344421 1072432927 /nfs/dbraw/zinc/43/29/27/1072432927.db2.gz JMSCFIBOOQKBMQ-NKVSQWTQSA-N 0 0 502.539 6.247 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409344237 1072433927 /nfs/dbraw/zinc/43/39/27/1072433927.db2.gz ICUZYIYDFDEAFG-AWQFTUOYSA-N 0 0 592.836 7.117 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409344318 1072434580 /nfs/dbraw/zinc/43/45/80/1072434580.db2.gz IPLWEWSQOVKETO-MTDXEUNCSA-N 0 0 575.756 6.698 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)SC1=S ZINC000409343961 1072436147 /nfs/dbraw/zinc/43/61/47/1072436147.db2.gz FBFARHUHZKFMKL-LPYMAVHISA-N 0 0 560.466 6.590 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409343479 1072439554 /nfs/dbraw/zinc/43/95/54/1072439554.db2.gz HFUATVZDBQLQRY-AUEPDCJTSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409343584 1072440745 /nfs/dbraw/zinc/44/07/45/1072440745.db2.gz HWHRUCWLDPLIDT-YVNNLAQVSA-N 0 0 710.364 9.000 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409343321 1072440825 /nfs/dbraw/zinc/44/08/25/1072440825.db2.gz GPCMPHAIIBBOOP-WOJGMQOQSA-N 0 0 559.878 6.538 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1 ZINC000409343350 1072441118 /nfs/dbraw/zinc/44/11/18/1072441118.db2.gz GKAWLOWLARGHBD-MYYYXRDXSA-N 0 0 514.632 6.070 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000409343376 1072441174 /nfs/dbraw/zinc/44/11/74/1072441174.db2.gz HCMURKBGNGXLDC-YBFXNURJSA-N 0 0 534.840 6.555 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409343411 1072441803 /nfs/dbraw/zinc/44/18/03/1072441803.db2.gz HHMDFZUQOFJPKJ-ROTLSHHCSA-N 0 0 577.986 8.478 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409343077 1072443715 /nfs/dbraw/zinc/44/37/15/1072443715.db2.gz CLJOCTJOPMJYFK-UUYOSTAYSA-N 0 0 573.921 6.834 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409343082 1072443789 /nfs/dbraw/zinc/44/37/89/1072443789.db2.gz DIZFYQROPHCRRA-LPYMAVHISA-N 0 0 553.574 6.108 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409343049 1072443815 /nfs/dbraw/zinc/44/38/15/1072443815.db2.gz CJXHUTBDNOTWPN-BUVRLJJBSA-N 0 0 554.531 7.449 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409343116 1072444320 /nfs/dbraw/zinc/44/43/20/1072444320.db2.gz DKVVDNAMOSKEDC-BOPFTXTBSA-N 0 0 511.406 5.413 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c1 ZINC000409342756 1072446118 /nfs/dbraw/zinc/44/61/18/1072446118.db2.gz CJNGNZIJMKFRJL-SRZZPIQSSA-N 0 0 548.589 7.534 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409342706 1072448048 /nfs/dbraw/zinc/44/80/48/1072448048.db2.gz FDDPFOGIAABTMC-WSDLNYQXSA-N 0 0 601.018 5.894 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409126980 1072448207 /nfs/dbraw/zinc/44/82/07/1072448207.db2.gz IJJYDBLAQMFCTN-XYGWBWBKSA-N 0 0 574.610 6.475 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409126994 1072448807 /nfs/dbraw/zinc/44/88/07/1072448807.db2.gz GPARPOMNAOPHKN-KSEXSDGBSA-N 0 0 557.897 7.650 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409342575 1072449080 /nfs/dbraw/zinc/44/90/80/1072449080.db2.gz DPHZUXKJHSYDEQ-CIAFOILYSA-N 0 0 594.339 6.881 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409342577 1072449119 /nfs/dbraw/zinc/44/91/19/1072449119.db2.gz FSCAGDNMXZMZQD-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409342180 1072450334 /nfs/dbraw/zinc/45/03/34/1072450334.db2.gz COTUCLOVIUVERH-ODCIPOBUSA-N 0 0 694.681 9.165 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409342420 1072450388 /nfs/dbraw/zinc/45/03/88/1072450388.db2.gz DUUWJNIBENYZPY-YDZHTSKRSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342265 1072450878 /nfs/dbraw/zinc/45/08/78/1072450878.db2.gz AZXWTMDDDSCNRO-SRZZPIQSSA-N 0 0 609.991 6.614 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342278 1072451546 /nfs/dbraw/zinc/45/15/46/1072451546.db2.gz DBZHLQVLPFCBGK-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S ZINC000409341935 1072453890 /nfs/dbraw/zinc/45/38/90/1072453890.db2.gz CUHYTFFPSRQIBV-YBFXNURJSA-N 0 0 517.382 6.032 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1 ZINC000409341428 1072457314 /nfs/dbraw/zinc/45/73/14/1072457314.db2.gz BOZRDVXLPWVSHE-FYJGNVAPSA-N 0 0 533.469 6.470 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409341431 1072457323 /nfs/dbraw/zinc/45/73/23/1072457323.db2.gz BPQWOWSTRQDMTC-FSJBWODESA-N 0 0 555.578 6.844 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409341483 1072458088 /nfs/dbraw/zinc/45/80/88/1072458088.db2.gz DUXHUPXACJCHNP-DHRITJCHSA-N 0 0 562.072 6.376 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)NC2=S)cc1 ZINC000409125748 1072458502 /nfs/dbraw/zinc/45/85/02/1072458502.db2.gz ATTVIRRXANWZCK-JLPGSUDCSA-N 0 0 531.638 5.263 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCC ZINC000409341363 1072459937 /nfs/dbraw/zinc/45/99/37/1072459937.db2.gz BFXUCNUBSKJCKD-MFOYZWKCSA-N 0 0 533.296 6.959 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 ZINC000409124965 1072463397 /nfs/dbraw/zinc/46/33/97/1072463397.db2.gz CRLYMSNLTWYXNZ-DGMIEQENSA-N 0 0 522.692 5.888 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409124840 1072464250 /nfs/dbraw/zinc/46/42/50/1072464250.db2.gz KXQZOOYDKOQILR-QFEZKATASA-N 0 0 613.509 5.507 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409124879 1072464730 /nfs/dbraw/zinc/46/47/30/1072464730.db2.gz LEGHCNPXEWOVPT-FMCGGJTJSA-N 0 0 557.897 7.046 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409340406 1072465845 /nfs/dbraw/zinc/46/58/45/1072465845.db2.gz WOQNRQYFJNLSDZ-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)S1)c1ccccc1 ZINC000409124478 1072465881 /nfs/dbraw/zinc/46/58/81/1072465881.db2.gz AMISUENCYYDEPK-NDENLUEZSA-N 0 0 617.275 6.099 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409340424 1072466359 /nfs/dbraw/zinc/46/63/59/1072466359.db2.gz WYMKWIRBCBUIPE-FRKPEAEDSA-N 0 0 610.278 5.564 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409340446 1072466437 /nfs/dbraw/zinc/46/64/37/1072466437.db2.gz XKLRMPSNNACSCX-MTDXEUNCSA-N 0 0 527.667 7.232 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)SC1=S ZINC000409340531 1072467422 /nfs/dbraw/zinc/46/74/22/1072467422.db2.gz YRXLXRXRRKLPPU-XDHOZWIPSA-N 0 0 510.450 6.177 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000409340332 1072467931 /nfs/dbraw/zinc/46/79/31/1072467931.db2.gz VHZYXKONCFQXMF-RGVLZGJSSA-N 0 0 581.391 7.574 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409340365 1072468658 /nfs/dbraw/zinc/46/86/58/1072468658.db2.gz VUXANAWNSLDKTQ-ZDLGFXPLSA-N 0 0 510.058 5.418 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000409340164 1072468885 /nfs/dbraw/zinc/46/88/85/1072468885.db2.gz RLLXJVKQRNNXHV-PDGQHHTCSA-N 0 0 604.329 6.647 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1Cl ZINC000409340028 1072470181 /nfs/dbraw/zinc/47/01/81/1072470181.db2.gz OZIVEVXCDGCGNL-FSJBWODESA-N 0 0 516.015 6.481 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1Cl ZINC000409339809 1072471290 /nfs/dbraw/zinc/47/12/90/1072471290.db2.gz YTINSAUICWLNJK-JFLMPSFJSA-N 0 0 548.085 7.495 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409339887 1072471756 /nfs/dbraw/zinc/47/17/56/1072471756.db2.gz MMXBMINJWDGQCB-QRVIBDJDSA-N 0 0 625.393 8.148 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409339772 1072473491 /nfs/dbraw/zinc/47/34/91/1072473491.db2.gz YDTPJVVNQQHONC-WSDLNYQXSA-N 0 0 593.895 6.938 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409137284 1072473510 /nfs/dbraw/zinc/47/35/10/1072473510.db2.gz WNBGNIHUSVWGBN-MIXAMLLLSA-N 0 0 617.728 5.539 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000409339799 1072474095 /nfs/dbraw/zinc/47/40/95/1072474095.db2.gz YOQKGDGEWIPAFH-VXLYETTFSA-N 0 0 512.878 6.694 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409137113 1072474287 /nfs/dbraw/zinc/47/42/87/1072474287.db2.gz VCMPBQCCKGRFPF-XKZIYDEJSA-N 0 0 548.572 6.054 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409339609 1072474694 /nfs/dbraw/zinc/47/46/94/1072474694.db2.gz XAVZBAGTYOFBAM-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409339604 1072474700 /nfs/dbraw/zinc/47/47/00/1072474700.db2.gz WWWJAYOWUHLXMJ-NHDPSOOVSA-N 0 0 611.885 7.077 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409339569 1072474711 /nfs/dbraw/zinc/47/47/11/1072474711.db2.gz WIENHMYRIPPRNH-HZHRSRAPSA-N 0 0 511.646 5.486 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC ZINC000409339646 1072475373 /nfs/dbraw/zinc/47/53/73/1072475373.db2.gz JZWYTAJOAGKHJX-SXGWCWSVSA-N 0 0 542.376 5.013 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409339409 1072475868 /nfs/dbraw/zinc/47/58/68/1072475868.db2.gz VCOITTVSBRYAEI-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409136592 1072476347 /nfs/dbraw/zinc/47/63/47/1072476347.db2.gz RWUAIAQJNXUAFQ-ITYLOYPMSA-N 0 0 521.614 5.185 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409339300 1072477527 /nfs/dbraw/zinc/47/75/27/1072477527.db2.gz TVUFANQNACHXTE-WGOQTCKBSA-N 0 0 702.433 8.590 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409339338 1072477535 /nfs/dbraw/zinc/47/75/35/1072477535.db2.gz UGZMKYCPJUFWID-FSJBWODESA-N 0 0 560.575 7.437 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339354 1072478136 /nfs/dbraw/zinc/47/81/36/1072478136.db2.gz HTHZWZVTWWOVGR-JAIQZWGSSA-N 0 0 554.518 5.618 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409339135 1072478605 /nfs/dbraw/zinc/47/86/05/1072478605.db2.gz SCTPBCUTCQTRKJ-DHRITJCHSA-N 0 0 564.641 5.246 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000409339000 1072479778 /nfs/dbraw/zinc/47/97/78/1072479778.db2.gz CZSIIURSKVRQCV-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409339034 1072480322 /nfs/dbraw/zinc/48/03/22/1072480322.db2.gz DMYHFXIXRIDWLS-MTJSOVHGSA-N 0 0 579.310 7.336 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339011 1072480346 /nfs/dbraw/zinc/48/03/46/1072480346.db2.gz DDRSMIDSBPJFJA-KBKYJPHKSA-N 0 0 587.550 7.553 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCOc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000409136022 1072480846 /nfs/dbraw/zinc/48/08/46/1072480846.db2.gz VWUUUHVVFMMLDJ-ITYLOYPMSA-N 0 0 536.625 6.305 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409339073 1072480801 /nfs/dbraw/zinc/48/08/01/1072480801.db2.gz RNLOMVTXARZDDF-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409338833 1072481327 /nfs/dbraw/zinc/48/13/27/1072481327.db2.gz BWGDGFAPCITWNH-YDZHTSKRSA-N 0 0 551.602 5.035 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338845 1072481402 /nfs/dbraw/zinc/48/14/02/1072481402.db2.gz PIWQXRZJSUSLRC-RGVLZGJSSA-N 0 0 581.391 7.574 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338664 1072482502 /nfs/dbraw/zinc/48/25/02/1072482502.db2.gz NXVUBDJPWVPFHZ-SRZZPIQSSA-N 0 0 611.417 7.583 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409338550 1072484072 /nfs/dbraw/zinc/48/40/72/1072484072.db2.gz LVXQSRLRSOAYGL-ZVHZXABRSA-N 0 0 509.483 7.711 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409338573 1072484102 /nfs/dbraw/zinc/48/41/02/1072484102.db2.gz MJNBSKFDTIFFKL-OVCLIPMQSA-N 0 0 670.719 5.494 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409134915 1072489318 /nfs/dbraw/zinc/48/93/18/1072489318.db2.gz OPTWCXGSQNUIRR-HMAPJEAMSA-N 0 0 618.880 6.323 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338019 1072490382 /nfs/dbraw/zinc/49/03/82/1072490382.db2.gz BNQYTKMOWUVOQO-QQXSKIMKSA-N 0 0 657.982 8.481 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)S1)c1ccccc1 ZINC000409134626 1072491694 /nfs/dbraw/zinc/49/16/94/1072491694.db2.gz SOCLYNDLAQXVMO-MTJSOVHGSA-N 0 0 517.821 6.626 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409134009 1072495023 /nfs/dbraw/zinc/49/50/23/1072495023.db2.gz OIULITIWMNOQHE-NKVSQWTQSA-N 0 0 519.917 6.963 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3cc(Br)ccc32)cc1C ZINC000409133908 1072496102 /nfs/dbraw/zinc/49/61/02/1072496102.db2.gz UXHCEQAMLZTLGG-NHDPSOOVSA-N 0 0 501.471 5.931 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409357198 1072496732 /nfs/dbraw/zinc/49/67/32/1072496732.db2.gz HTRUSONYXYQXPG-IGXVRLBYSA-N 0 0 527.654 6.244 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409133716 1072497040 /nfs/dbraw/zinc/49/70/40/1072497040.db2.gz QXYZZPZTKNVIOC-ONUIUJJFSA-N 0 0 534.703 6.461 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC1=S ZINC000409132807 1072501897 /nfs/dbraw/zinc/50/18/97/1072501897.db2.gz KDOAWLVABHBZEJ-AQHIEDMUSA-N 0 0 559.507 6.069 40 10 KKCBRN CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409132142 1072505925 /nfs/dbraw/zinc/50/59/25/1072505925.db2.gz NIOOQRLTGANFTL-JLPGSUDCSA-N 0 0 507.637 6.990 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC[C@H]4C)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409131304 1072511203 /nfs/dbraw/zinc/51/12/03/1072511203.db2.gz VIDAQUVIAJMCMJ-BMLZXRGUSA-N 0 0 598.588 6.215 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000409131096 1072511439 /nfs/dbraw/zinc/51/14/39/1072511439.db2.gz JQJAHZVJAIVVEK-ULJHMMPZSA-N 0 0 509.741 5.998 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3ccccc32)cc1 ZINC000409130895 1072511971 /nfs/dbraw/zinc/51/19/71/1072511971.db2.gz OCTNOHGADOKKHA-YUMHPJSZSA-N 0 0 529.687 6.304 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000409130865 1072513446 /nfs/dbraw/zinc/51/34/46/1072513446.db2.gz WVHZDGWLBLZTMZ-HMAPJEAMSA-N 0 0 618.880 6.323 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409130103 1072517045 /nfs/dbraw/zinc/51/70/45/1072517045.db2.gz LUIIUKUSJZVNPX-RCHMDRHMSA-N 0 0 587.517 5.592 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409129787 1072518220 /nfs/dbraw/zinc/51/82/20/1072518220.db2.gz SMPSHFCJWXKHJC-KSEXSDGBSA-N 0 0 520.477 6.249 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 ZINC000409129118 1072522035 /nfs/dbraw/zinc/52/20/35/1072522035.db2.gz UMTOUARBXSPTBD-OLIBUNOHSA-N 0 0 558.523 5.799 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409128505 1072525623 /nfs/dbraw/zinc/52/56/23/1072525623.db2.gz PBWFCEBWEHXDOI-UUYOSTAYSA-N 0 0 521.689 5.576 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1Cl ZINC000409352685 1072526072 /nfs/dbraw/zinc/52/60/72/1072526072.db2.gz YLBLWTMOQFFLIF-SSDVNMTOSA-N 0 0 611.366 7.758 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409352706 1072526163 /nfs/dbraw/zinc/52/61/63/1072526163.db2.gz YPPBWHXMHZRPMM-MSXFZWOLSA-N 0 0 628.526 6.406 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409352216 1072528672 /nfs/dbraw/zinc/52/86/72/1072528672.db2.gz WRBGZVZAVXPIHH-IWIPYMOSSA-N 0 0 587.536 7.038 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 ZINC000409127956 1072529175 /nfs/dbraw/zinc/52/91/75/1072529175.db2.gz DCKUBOCHHAZQPY-VCYKRWNGSA-N 0 0 556.507 5.105 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409144766 1072532013 /nfs/dbraw/zinc/53/20/13/1072532013.db2.gz OYTNZSIBFUZPMA-CFRMEGHHSA-N 0 0 584.561 5.826 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144616 1072532846 /nfs/dbraw/zinc/53/28/46/1072532846.db2.gz MAVILPAGGINJBG-ZVBGSRNCSA-N 0 0 533.502 6.702 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409351529 1072534042 /nfs/dbraw/zinc/53/40/42/1072534042.db2.gz UBOQEHXYRMYQOH-XETRRMDNSA-N 0 0 610.571 7.878 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409351588 1072534522 /nfs/dbraw/zinc/53/45/22/1072534522.db2.gz VFQBPVYCMWJLEN-UCQKPKSFSA-N 0 0 574.949 7.482 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1F ZINC000409351406 1072535877 /nfs/dbraw/zinc/53/58/77/1072535877.db2.gz UGMBYOMGYMWSGF-MTJSOVHGSA-N 0 0 534.859 7.226 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409144223 1072536297 /nfs/dbraw/zinc/53/62/97/1072536297.db2.gz OHGZUPZEDICBOH-WGARJPEWSA-N 0 0 567.563 7.969 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409143804 1072539181 /nfs/dbraw/zinc/53/91/81/1072539181.db2.gz JFGXMVRAKYSIIE-WYMPLXKRSA-N 0 0 549.674 5.623 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409143580 1072539526 /nfs/dbraw/zinc/53/95/26/1072539526.db2.gz FYZLUZZEWQYZOT-LSHDLFTRSA-N 0 0 672.837 7.852 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N(CC)CC)c21 ZINC000409143646 1072540021 /nfs/dbraw/zinc/54/00/21/1072540021.db2.gz MVZQOZBRQNOBQM-ULJHMMPZSA-N 0 0 505.709 5.516 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000409350802 1072540277 /nfs/dbraw/zinc/54/02/77/1072540277.db2.gz YTADSYJKIWDLOK-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409350649 1072541188 /nfs/dbraw/zinc/54/11/88/1072541188.db2.gz YQLYQKKCKFSYQZ-AFUMVMLFSA-N 0 0 553.105 6.895 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409350630 1072541303 /nfs/dbraw/zinc/54/13/03/1072541303.db2.gz SASKPXARPLQEQM-UFFVCSGVSA-N 0 0 543.966 6.363 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409350646 1072541408 /nfs/dbraw/zinc/54/14/08/1072541408.db2.gz RWRMJSOSPBSJLQ-BOPFTXTBSA-N 0 0 513.276 6.406 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409350667 1072541426 /nfs/dbraw/zinc/54/14/26/1072541426.db2.gz SFHCDSOHZAMSLX-ZVHZXABRSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409350702 1072541660 /nfs/dbraw/zinc/54/16/60/1072541660.db2.gz SGTKMBDOOXSNBI-WSDLNYQXSA-N 0 0 545.469 6.127 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409350742 1072541809 /nfs/dbraw/zinc/54/18/09/1072541809.db2.gz SKXSTTIVSUTPEW-OYKKKHCWSA-N 0 0 530.498 7.685 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409350528 1072542737 /nfs/dbraw/zinc/54/27/37/1072542737.db2.gz YICHSOXHFCONJI-NHDPSOOVSA-N 0 0 628.340 7.591 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409350457 1072543893 /nfs/dbraw/zinc/54/38/93/1072543893.db2.gz RPXTYMVQWYZDBV-MTDXEUNCSA-N 0 0 570.692 6.372 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccccc1 ZINC000409350226 1072544497 /nfs/dbraw/zinc/54/44/97/1072544497.db2.gz QYOWYGSVVXNRBD-RGVLZGJSSA-N 0 0 581.391 7.574 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409350286 1072544884 /nfs/dbraw/zinc/54/48/84/1072544884.db2.gz RIYSICXISONBJA-ZVBGSRNCSA-N 0 0 546.504 6.540 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409350060 1072545427 /nfs/dbraw/zinc/54/54/27/1072545427.db2.gz WZXXZFPQFCINGL-ZRGSRPPYSA-N 0 0 588.730 5.868 40 10 KKCBRN O=C1[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142753 1072545367 /nfs/dbraw/zinc/54/53/67/1072545367.db2.gz BRUSCVYKSKQSRG-OAQYLSRUSA-N 0 0 524.441 6.822 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1Cl ZINC000409349956 1072546740 /nfs/dbraw/zinc/54/67/40/1072546740.db2.gz WQSTWSKBFIEBIS-QFEZKATASA-N 0 0 523.054 7.205 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409142649 1072546934 /nfs/dbraw/zinc/54/69/34/1072546934.db2.gz BFXMOZMJBJWGJR-JVWAILMASA-N 0 0 715.034 7.930 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c(C)c1 ZINC000409349632 1072548045 /nfs/dbraw/zinc/54/80/45/1072548045.db2.gz VTRLDPJIPXSUEB-RPPGKUMJSA-N 0 0 541.654 6.031 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC ZINC000409349702 1072548827 /nfs/dbraw/zinc/54/88/27/1072548827.db2.gz VWRAMVWDZPRCJP-LICLKQGHSA-N 0 0 511.406 5.331 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142034 1072550157 /nfs/dbraw/zinc/55/01/57/1072550157.db2.gz POHPHQCFJGIECP-LIMNOBDPSA-N 0 0 731.359 8.546 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409349168 1072551085 /nfs/dbraw/zinc/55/10/85/1072551085.db2.gz URTFMOLHSPMMDL-OEAKJJBVSA-N 0 0 574.493 6.980 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409349231 1072551695 /nfs/dbraw/zinc/55/16/95/1072551695.db2.gz VLALMIJCRKFJLA-JAIQZWGSSA-N 0 0 538.969 6.529 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409349285 1072551983 /nfs/dbraw/zinc/55/19/83/1072551983.db2.gz VLIZMUGTWRDRBS-VCHYOVAHSA-N 0 0 520.375 5.708 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1Cl ZINC000409349034 1072552474 /nfs/dbraw/zinc/55/24/74/1072552474.db2.gz UGFFRDIQRFDFIX-SRZZPIQSSA-N 0 0 719.791 7.543 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409348933 1072553772 /nfs/dbraw/zinc/55/37/72/1072553772.db2.gz TYDRFDACVCCSAZ-WYMPLXKRSA-N 0 0 568.507 6.551 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409141209 1072554949 /nfs/dbraw/zinc/55/49/49/1072554949.db2.gz JBFHEVGACJOYGG-QRQIAZFYSA-N 0 0 591.596 7.544 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1 ZINC000409141198 1072554972 /nfs/dbraw/zinc/55/49/72/1072554972.db2.gz MOMKZADHYYNDDR-ZMOGYAJESA-N 0 0 548.686 5.363 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409141075 1072555786 /nfs/dbraw/zinc/55/57/86/1072555786.db2.gz LUMHBYFOCQKKNE-WOJGMQOQSA-N 0 0 525.877 5.746 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409348675 1072556006 /nfs/dbraw/zinc/55/60/06/1072556006.db2.gz OJWMMCSPHMPTJH-WOJGMQOQSA-N 0 0 519.829 5.909 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409348554 1072556950 /nfs/dbraw/zinc/55/69/50/1072556950.db2.gz OOWVRLBVWYUQSZ-UUYOSTAYSA-N 0 0 546.548 6.816 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(Cl)c3)c(OC)c2)SC1=S ZINC000409348557 1072557013 /nfs/dbraw/zinc/55/70/13/1072557013.db2.gz OPJJWGGRERDDJU-GRSHGNNSSA-N 0 0 555.903 5.740 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409348379 1072557804 /nfs/dbraw/zinc/55/78/04/1072557804.db2.gz SJYBXQBMOXVPFU-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409348351 1072557834 /nfs/dbraw/zinc/55/78/34/1072557834.db2.gz SPHSSBAZNVOEEM-UUYOSTAYSA-N 0 0 675.919 8.347 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000409348156 1072558199 /nfs/dbraw/zinc/55/81/99/1072558199.db2.gz RUYWKKQGQUKURT-UNOMPAQXSA-N 0 0 573.905 6.534 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409140586 1072558664 /nfs/dbraw/zinc/55/86/64/1072558664.db2.gz JSMVXLAJMTVSMD-RWPZCVJISA-N 0 0 554.737 6.868 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409348221 1072558791 /nfs/dbraw/zinc/55/87/91/1072558791.db2.gz RPQZYLJKHRQZOP-MTJSOVHGSA-N 0 0 535.996 7.352 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409140607 1072558731 /nfs/dbraw/zinc/55/87/31/1072558731.db2.gz KMDZHMFNQMPHLO-OYKKKHCWSA-N 0 0 557.068 6.311 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409348248 1072559149 /nfs/dbraw/zinc/55/91/49/1072559149.db2.gz RWFAIGPYBWEAFE-ZVHZXABRSA-N 0 0 506.605 6.205 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000409140456 1072559634 /nfs/dbraw/zinc/55/96/34/1072559634.db2.gz DUBBDKLOTOMGTQ-BKUYFWCQSA-N 0 0 538.379 5.337 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409347842 1072560084 /nfs/dbraw/zinc/56/00/84/1072560084.db2.gz RMFSOFYEVGLWJD-JMIUGGIZSA-N 0 0 547.492 6.720 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000409140344 1072560447 /nfs/dbraw/zinc/56/04/47/1072560447.db2.gz DRXKEUAXLVOSRS-JLPGSUDCSA-N 0 0 509.741 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409347698 1072561001 /nfs/dbraw/zinc/56/10/01/1072561001.db2.gz QUEPQPBFDARIMX-YVLHZVERSA-N 0 0 545.851 5.753 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409347700 1072561048 /nfs/dbraw/zinc/56/10/48/1072561048.db2.gz QXKBVBSSSXJULP-QFEZKATASA-N 0 0 597.556 6.493 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000409347756 1072561420 /nfs/dbraw/zinc/56/14/20/1072561420.db2.gz RDVMQEVNHZZZJE-UFFVCSGVSA-N 0 0 543.966 6.363 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409347819 1072561788 /nfs/dbraw/zinc/56/17/88/1072561788.db2.gz MYHDPSRDMVUFAW-MTDXEUNCSA-N 0 0 666.606 7.894 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409347630 1072562800 /nfs/dbraw/zinc/56/28/00/1072562800.db2.gz MVTBYWFXTSTPAR-NVMNQCDNSA-N 0 0 555.962 6.885 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409347612 1072562870 /nfs/dbraw/zinc/56/28/70/1072562870.db2.gz QNQVSVYGGYIQRH-PXNMLYILSA-N 0 0 533.694 6.670 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409139683 1072563374 /nfs/dbraw/zinc/56/33/74/1072563374.db2.gz CWOUUUXOAHPSMN-ZPZBNPFISA-N 0 0 526.684 5.373 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139693 1072563435 /nfs/dbraw/zinc/56/34/35/1072563435.db2.gz DAASNFXDCFKKIA-ZVHZXABRSA-N 0 0 584.075 6.081 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000409347439 1072563783 /nfs/dbraw/zinc/56/37/83/1072563783.db2.gz QAMHZWFMILBHJI-NDENLUEZSA-N 0 0 508.543 6.940 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409347484 1072563924 /nfs/dbraw/zinc/56/39/24/1072563924.db2.gz PZWOWCTZAAMUQQ-SRZZPIQSSA-N 0 0 595.765 7.850 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409347521 1072564300 /nfs/dbraw/zinc/56/43/00/1072564300.db2.gz QDMFIMCTYCZGKN-QRVIBDJDSA-N 0 0 539.907 7.511 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409347516 1072564355 /nfs/dbraw/zinc/56/43/55/1072564355.db2.gz QDFSXECMAVGKQJ-AFUMVMLFSA-N 0 0 585.103 6.179 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409347389 1072564854 /nfs/dbraw/zinc/56/48/54/1072564854.db2.gz PRZQHNPQWYWAAD-ZVHZXABRSA-N 0 0 503.580 6.451 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000409139437 1072565307 /nfs/dbraw/zinc/56/53/07/1072565307.db2.gz AVDCYSKVEMMLGI-ONUIUJJFSA-N 0 0 511.672 5.402 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409138981 1072567444 /nfs/dbraw/zinc/56/74/44/1072567444.db2.gz KSHFBFRRFXBPCN-ZMFRSBBQSA-N 0 0 578.557 6.896 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 ZINC000409137670 1072574417 /nfs/dbraw/zinc/57/44/17/1072574417.db2.gz XUYXGJVYYDPWAV-BRTCBXNNSA-N 0 0 576.582 5.481 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409366273 1072574846 /nfs/dbraw/zinc/57/48/46/1072574846.db2.gz ZNUZRNIEGWIHQQ-UHFFFAOYSA-N 0 0 644.453 6.198 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409137341 1072575710 /nfs/dbraw/zinc/57/57/10/1072575710.db2.gz VUQNVTPCSQLJKH-MSXFZWOLSA-N 0 0 568.493 6.418 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000409146801 1072578503 /nfs/dbraw/zinc/57/85/03/1072578503.db2.gz KVUKLMDGPBTUKY-ITYLOYPMSA-N 0 0 502.636 6.303 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccc(Br)cc23)SC1=S ZINC000409146905 1072578862 /nfs/dbraw/zinc/57/88/62/1072578862.db2.gz LRUQVZYZOQVUJK-QZPXRHMKSA-N 0 0 534.545 5.662 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409364785 1072581730 /nfs/dbraw/zinc/58/17/30/1072581730.db2.gz LTJHERBGMHDEKC-BRJLIKDPSA-N 0 0 596.517 7.030 40 10 KKCBRN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)C(C)C)cc1 ZINC000409364861 1072582164 /nfs/dbraw/zinc/58/21/64/1072582164.db2.gz NKGFHKKOATWAIS-OHAPQNGISA-N 0 0 541.681 6.397 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409146165 1072583713 /nfs/dbraw/zinc/58/37/13/1072583713.db2.gz RCHXLYYUGWHLJS-GATIEOLUSA-N 0 0 622.725 5.070 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409145548 1072586422 /nfs/dbraw/zinc/58/64/22/1072586422.db2.gz QTBXOYPOGALTQH-QQXSKIMKSA-N 0 0 581.532 7.066 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1Cl ZINC000409145320 1072588853 /nfs/dbraw/zinc/58/88/53/1072588853.db2.gz OGJWPAMUJCZDML-BRJLIKDPSA-N 0 0 569.148 6.376 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409147362 1072591176 /nfs/dbraw/zinc/59/11/76/1072591176.db2.gz YVILFUWZWMUSLC-LGJNPRDNSA-N 0 0 593.727 6.021 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409156965 1072593399 /nfs/dbraw/zinc/59/33/99/1072593399.db2.gz TVYSBINWBUERKB-VULFUBBASA-N 0 0 639.528 6.458 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(F)F ZINC000409361975 1072597719 /nfs/dbraw/zinc/59/77/19/1072597719.db2.gz SAQABZPSYBQJAZ-PXNMLYILSA-N 0 0 520.804 6.508 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154540 1072604569 /nfs/dbraw/zinc/60/45/69/1072604569.db2.gz BIWIHGYMPUKIRG-GGUMNFRJSA-N 0 0 576.274 8.078 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)N2 ZINC000409154166 1072607839 /nfs/dbraw/zinc/60/78/39/1072607839.db2.gz FYOSJWRVVQVCTJ-RRQZXNHTSA-N 0 0 589.313 7.957 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409153350 1072613002 /nfs/dbraw/zinc/61/30/02/1072613002.db2.gz HUJPDZKVTYSRDW-YTZAWJCFSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409152898 1072615840 /nfs/dbraw/zinc/61/58/40/1072615840.db2.gz KFIZDNFVAOWSDW-QJMRKGMQSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152012 1072621437 /nfs/dbraw/zinc/62/14/37/1072621437.db2.gz IPMXIAOMIPVLFT-DGUDUIIESA-N 0 0 590.301 8.387 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409150975 1072626766 /nfs/dbraw/zinc/62/67/66/1072626766.db2.gz FPYHPPROXLCJJR-MZJWZYIUSA-N 0 0 598.552 7.402 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409150577 1072629532 /nfs/dbraw/zinc/62/95/32/1072629532.db2.gz CWOQITLGHFJBKB-OJLQRUNKSA-N 0 0 610.719 8.732 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409150015 1072630973 /nfs/dbraw/zinc/63/09/73/1072630973.db2.gz YHBVUCIUOKWMLW-AUEPDCJTSA-N 0 0 696.914 7.893 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149785 1072633542 /nfs/dbraw/zinc/63/35/42/1072633542.db2.gz QTPKAIATSSMVCA-JMIUGGIZSA-N 0 0 531.124 6.533 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409149587 1072634080 /nfs/dbraw/zinc/63/40/80/1072634080.db2.gz KRUZTQVEVCDXSF-OYKKKHCWSA-N 0 0 582.103 5.529 40 10 KKCBRN O=C1[C@@H](Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409149649 1072634536 /nfs/dbraw/zinc/63/45/36/1072634536.db2.gz MERQELOQCGBONM-OAQYLSRUSA-N 0 0 524.441 6.822 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409148886 1072639254 /nfs/dbraw/zinc/63/92/54/1072639254.db2.gz TVYGWJVIZXVLCH-QETRNLNESA-N 0 0 582.589 6.249 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409148717 1072640550 /nfs/dbraw/zinc/64/05/50/1072640550.db2.gz QSLHABIKSBCLRC-QRVIBDJDSA-N 0 0 539.476 6.477 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)c(Br)c4)c3C)NC2=S)cc1 ZINC000409148452 1072642219 /nfs/dbraw/zinc/64/22/19/1072642219.db2.gz YSUWCXSBFXXUGR-XYGWBWBKSA-N 0 0 581.536 5.354 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409148439 1072642247 /nfs/dbraw/zinc/64/22/47/1072642247.db2.gz YSJKTYFGSZYOGM-BWAHOGKJSA-N 0 0 523.768 6.388 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409372949 1072643548 /nfs/dbraw/zinc/64/35/48/1072643548.db2.gz RBNCJQWFPDSNQC-JMIUGGIZSA-N 0 0 606.469 6.426 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409371657 1072648250 /nfs/dbraw/zinc/64/82/50/1072648250.db2.gz JGGCKHUAFSZEID-VROXFSQNSA-N 0 0 632.591 7.062 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409371431 1072649637 /nfs/dbraw/zinc/64/96/37/1072649637.db2.gz FMZRZLVPFCGJJZ-FMCGGJTJSA-N 0 0 633.535 5.966 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccncc1 ZINC000409371196 1072649656 /nfs/dbraw/zinc/64/96/56/1072649656.db2.gz GYHWHPLSUXVRNW-SRZZPIQSSA-N 0 0 561.472 5.914 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409147512 1072649989 /nfs/dbraw/zinc/64/99/89/1072649989.db2.gz ZTMCECBTOUOJDK-FOKLQQMPSA-N 0 0 593.941 7.089 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409370803 1072651869 /nfs/dbraw/zinc/65/18/69/1072651869.db2.gz DNRITIUYESNGMZ-RGVLZGJSSA-N 0 0 596.901 7.021 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165806 1072652730 /nfs/dbraw/zinc/65/27/30/1072652730.db2.gz AGSDPMRCQAMMTG-MHPIHPPYSA-N 0 0 564.829 8.535 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165701 1072653675 /nfs/dbraw/zinc/65/36/75/1072653675.db2.gz AYXKMXFEMIVSNP-RHGYRFJNSA-N 0 0 576.274 8.078 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409370603 1072653917 /nfs/dbraw/zinc/65/39/17/1072653917.db2.gz AYLACQIAYJYJQB-FBHDLOMBSA-N 0 0 639.520 5.916 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409370544 1072654027 /nfs/dbraw/zinc/65/40/27/1072654027.db2.gz STFQHGOOSRGGAU-HYARGMPZSA-N 0 0 590.510 7.148 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409370120 1072655784 /nfs/dbraw/zinc/65/57/84/1072655784.db2.gz LKUUTSQLHBSJKZ-FBHDLOMBSA-N 0 0 627.344 7.412 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)SC1=S ZINC000409369976 1072656364 /nfs/dbraw/zinc/65/63/64/1072656364.db2.gz IPUIGQNEZRWWGM-YBEGLDIGSA-N 0 0 513.276 6.012 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409369812 1072656861 /nfs/dbraw/zinc/65/68/61/1072656861.db2.gz YTPDRGOISKYVAQ-MTJSOVHGSA-N 0 0 595.530 5.331 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409369685 1072657928 /nfs/dbraw/zinc/65/79/28/1072657928.db2.gz VOSWIGZXFUDGAR-ZVBGSRNCSA-N 0 0 636.451 6.549 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409164713 1072658491 /nfs/dbraw/zinc/65/84/91/1072658491.db2.gz MQMHZXBOQUMWPB-LGJNPRDNSA-N 0 0 618.970 7.747 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409369188 1072659686 /nfs/dbraw/zinc/65/96/86/1072659686.db2.gz HEBHVOAKMYGLDO-VULFUBBASA-N 0 0 750.467 8.667 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409369165 1072659764 /nfs/dbraw/zinc/65/97/64/1072659764.db2.gz GDDBTGRSYVJBNI-LZYBPNLTSA-N 0 0 577.309 6.101 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409368988 1072661976 /nfs/dbraw/zinc/66/19/76/1072661976.db2.gz WJRROGAYBJZGLY-LSFURLLWSA-N 0 0 769.297 8.820 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000409368838 1072663085 /nfs/dbraw/zinc/66/30/85/1072663085.db2.gz PFGKYRYFTZLKSJ-CIAFOILYSA-N 0 0 530.458 6.510 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163859 1072663104 /nfs/dbraw/zinc/66/31/04/1072663104.db2.gz YTWMMQXYIDOFRT-JXQFQVJHSA-N 0 0 541.283 7.626 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409163186 1072665337 /nfs/dbraw/zinc/66/53/37/1072665337.db2.gz NDYOBASAXVTRPX-JFLMPSFJSA-N 0 0 617.684 5.442 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409163058 1072666618 /nfs/dbraw/zinc/66/66/18/1072666618.db2.gz LHIXZZJPHMQMSE-FBHDLOMBSA-N 0 0 536.278 7.400 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409368244 1072666696 /nfs/dbraw/zinc/66/66/96/1072666696.db2.gz VQPAGDDTVMBPQG-BRJLIKDPSA-N 0 0 689.603 6.703 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S ZINC000409368049 1072667186 /nfs/dbraw/zinc/66/71/86/1072667186.db2.gz QSMXKMWBTICATI-CPSFFCFKSA-N 0 0 538.221 6.146 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000409367895 1072667771 /nfs/dbraw/zinc/66/77/71/1072667771.db2.gz JCLCOCBTLGYMFO-GIJQJNRQSA-N 0 0 559.283 7.498 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S ZINC000409367951 1072668333 /nfs/dbraw/zinc/66/83/33/1072668333.db2.gz PHYYJESCTHUMEI-MFKUBSTISA-N 0 0 580.518 7.664 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409367820 1072668746 /nfs/dbraw/zinc/66/87/46/1072668746.db2.gz LUXBWKBRIZNKRY-SSDVNMTOSA-N 0 0 734.852 8.167 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409162436 1072669619 /nfs/dbraw/zinc/66/96/19/1072669619.db2.gz DXLUSUAVIJQGHL-SRGWNRLKSA-N 0 0 565.722 8.823 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)SC1=S ZINC000409378017 1072678529 /nfs/dbraw/zinc/67/85/29/1072678529.db2.gz MPCGRNYIXRFMOF-SXGWCWSVSA-N 0 0 733.172 6.301 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409161219 1072678837 /nfs/dbraw/zinc/67/88/37/1072678837.db2.gz KZQFNRVMXKRSJL-YSURURNPSA-N 0 0 610.670 5.753 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)N2 ZINC000409158808 1072692002 /nfs/dbraw/zinc/69/20/02/1072692002.db2.gz ZASLLPJSLGPCHC-UZEJHQAJSA-N 0 0 623.758 8.610 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409385336 1072694322 /nfs/dbraw/zinc/69/43/22/1072694322.db2.gz HSGHTUGHNVVCEY-ZVHZXABRSA-N 0 0 597.478 5.320 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)SC1=S ZINC000409383659 1072701288 /nfs/dbraw/zinc/70/12/88/1072701288.db2.gz ZECTUPNTRLUXRE-SXGWCWSVSA-N 0 0 625.266 5.835 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166745 1072702797 /nfs/dbraw/zinc/70/27/97/1072702797.db2.gz FOGSFZJLUFNTKU-MHPIHPPYSA-N 0 0 565.722 8.823 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409176774 1072707215 /nfs/dbraw/zinc/70/72/15/1072707215.db2.gz XHDBOVJELJIQDJ-IUXPMGMMSA-N 0 0 516.399 5.489 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409177022 1072708587 /nfs/dbraw/zinc/70/85/87/1072708587.db2.gz AXCNZIRLPXRSJA-OEAKJJBVSA-N 0 0 568.076 5.302 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409381707 1072709925 /nfs/dbraw/zinc/70/99/25/1072709925.db2.gz ISISIQRRRQIYGA-YVLHZVERSA-N 0 0 545.851 5.753 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409176566 1072711674 /nfs/dbraw/zinc/71/16/74/1072711674.db2.gz RFPUQTXOHJATAH-CIAFOILYSA-N 0 0 575.546 5.961 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409176230 1072712037 /nfs/dbraw/zinc/71/20/37/1072712037.db2.gz ZAVRPLDWSXLHJN-TZPNTHKFSA-N 0 0 600.167 9.477 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409176180 1072712099 /nfs/dbraw/zinc/71/20/99/1072712099.db2.gz JPCDJJSDMXNZTF-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409394189 1072723585 /nfs/dbraw/zinc/72/35/85/1072723585.db2.gz WXLMXJZFRAJUKV-MWLSYYOVSA-N 0 0 540.088 6.714 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1C ZINC000409389323 1072732903 /nfs/dbraw/zinc/73/29/03/1072732903.db2.gz XXOVRUHUGBBDRN-MXAYSNPKSA-N 0 0 536.053 5.377 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 ZINC000409387698 1072741240 /nfs/dbraw/zinc/74/12/40/1072741240.db2.gz SIHISYBGWXGYBD-VEILYXNESA-N 0 0 527.690 6.058 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409171047 1072741878 /nfs/dbraw/zinc/74/18/78/1072741878.db2.gz XUPAXBLIBIYRCF-KCYKTTMJSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409170648 1072744307 /nfs/dbraw/zinc/74/43/07/1072744307.db2.gz WBYODJMUYOUHBS-UZINWLIJSA-N 0 0 555.856 7.733 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409400475 1072745788 /nfs/dbraw/zinc/74/57/88/1072745788.db2.gz RQRSLDQSIBCTBX-IWIPYMOSSA-N 0 0 562.504 6.275 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409167742 1072758885 /nfs/dbraw/zinc/75/88/85/1072758885.db2.gz JWFQSVCXQZWRGZ-JXQFQVJHSA-N 0 0 541.829 7.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186239 1072762126 /nfs/dbraw/zinc/76/21/26/1072762126.db2.gz ZHVLROBHDNLYPT-QICITKFESA-N 0 0 719.601 6.399 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OCC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186166 1072764554 /nfs/dbraw/zinc/76/45/54/1072764554.db2.gz XYFSXWRBWFTBBE-RHRXXFDWSA-N 0 0 746.955 8.342 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186201 1072765158 /nfs/dbraw/zinc/76/51/58/1072765158.db2.gz YRWOHNMCLKXAAW-JNCORGFBSA-N 0 0 627.766 7.242 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185976 1072765465 /nfs/dbraw/zinc/76/54/65/1072765465.db2.gz UEEXKGCOMWQLDQ-JQELSTPGSA-N 0 0 776.753 8.738 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185848 1072767117 /nfs/dbraw/zinc/76/71/17/1072767117.db2.gz RHAFYQQZHYDUHX-QBMFFJCHSA-N 0 0 744.664 6.403 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185643 1072768062 /nfs/dbraw/zinc/76/80/62/1072768062.db2.gz NTROCQQGEMAEGZ-IOSUBWPCSA-N 0 0 827.716 8.411 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185695 1072768887 /nfs/dbraw/zinc/76/88/87/1072768887.db2.gz OTCVGMAXGIDTKQ-IDRDTGJUSA-N 0 0 732.302 8.629 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(I)c(OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185716 1072768899 /nfs/dbraw/zinc/76/88/99/1072768899.db2.gz OYYDYLUSIDVMJR-VBGKSVJVSA-N 0 0 747.655 7.092 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185535 1072769795 /nfs/dbraw/zinc/76/97/95/1072769795.db2.gz MEWOHBOAAIXZMF-GBHGQGFISA-N 0 0 671.794 7.798 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409185600 1072770214 /nfs/dbraw/zinc/77/02/14/1072770214.db2.gz NDDVYHNNJACXRG-OCSSWDANSA-N 0 0 686.013 7.817 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185588 1072770307 /nfs/dbraw/zinc/77/03/07/1072770307.db2.gz MYAOOOVVTUSNIP-FRHTZWARSA-N 0 0 826.813 9.973 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185205 1072771727 /nfs/dbraw/zinc/77/17/27/1072771727.db2.gz KGZIWPKJXPGKKX-CGNBRMLGSA-N 0 0 729.771 7.689 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409185080 1072772129 /nfs/dbraw/zinc/77/21/29/1072772129.db2.gz RQOCOWSDDGTULP-WYEJZRMESA-N 0 0 565.722 8.823 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185135 1072772557 /nfs/dbraw/zinc/77/25/57/1072772557.db2.gz JQDDFNGGNMMRCM-WQZRLSSLSA-N 0 0 768.335 9.474 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185111 1072772702 /nfs/dbraw/zinc/77/27/02/1072772702.db2.gz JICLZMJIYPGIKF-NRNSZXCESA-N 0 0 811.596 9.184 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184919 1072773040 /nfs/dbraw/zinc/77/30/40/1072773040.db2.gz YUROHKGTICPFKZ-XFZPSDCUSA-N 0 0 689.281 8.449 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)cc(OC)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184977 1072773939 /nfs/dbraw/zinc/77/39/39/1072773939.db2.gz IZDQJARMUUXBAW-JIIYESLPSA-N 0 0 719.601 6.399 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(I)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184972 1072774045 /nfs/dbraw/zinc/77/40/45/1072774045.db2.gz IXDRIUBBGSPACI-FMWYSGSYSA-N 0 0 673.576 6.684 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184809 1072774482 /nfs/dbraw/zinc/77/44/82/1072774482.db2.gz HXHRTCCOBQSUSJ-WUZIEQONSA-N 0 0 819.718 7.025 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2sccc2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184819 1072774515 /nfs/dbraw/zinc/77/45/15/1072774515.db2.gz HYFXYCKRLJMXPW-GHEYMRAQSA-N 0 0 567.736 6.450 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184835 1072774563 /nfs/dbraw/zinc/77/45/63/1072774563.db2.gz IDBFZWHPZFWMAF-SJCMINGZSA-N 0 0 726.902 9.236 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184885 1072774938 /nfs/dbraw/zinc/77/49/38/1072774938.db2.gz IKRMTURSEDVWMW-MUWTWVSGSA-N 0 0 733.732 8.558 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)C(C(=O)OC)=C1C ZINC000409184510 1072776296 /nfs/dbraw/zinc/77/62/96/1072776296.db2.gz LMMFRDLJNBPELS-OVVQPSECSA-N 0 0 599.105 5.033 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184575 1072776665 /nfs/dbraw/zinc/77/66/65/1072776665.db2.gz YFEPVJREOVIBSJ-HVPHOBGISA-N 0 0 831.616 9.737 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184585 1072776703 /nfs/dbraw/zinc/77/67/03/1072776703.db2.gz HAWHNHMEDUHXFG-FHNCLFAKSA-N 0 0 685.802 7.517 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184387 1072777660 /nfs/dbraw/zinc/77/76/60/1072777660.db2.gz GLADVKFJAQTKBE-OURMJXGFSA-N 0 0 627.122 6.641 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184222 1072778653 /nfs/dbraw/zinc/77/86/53/1072778653.db2.gz FUWSRVIOWZRDEO-RGAWFTBRSA-N 0 0 751.497 7.319 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184158 1072779474 /nfs/dbraw/zinc/77/94/74/1072779474.db2.gz FMIKHHSEOKNCFU-RQBSVBTHSA-N 0 0 893.041 9.679 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183985 1072780300 /nfs/dbraw/zinc/78/03/00/1072780300.db2.gz DPNPMDDMENYAKI-CZUMTRSGSA-N 0 0 796.525 7.846 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183619 1072781619 /nfs/dbraw/zinc/78/16/19/1072781619.db2.gz CPJKUBMRKKOZOF-FDLISNHGSA-N 0 0 561.707 6.388 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1 ZINC000409183644 1072782228 /nfs/dbraw/zinc/78/22/28/1072782228.db2.gz FEOIVRNXLJDXSB-SWYRRKHMSA-N 0 0 602.310 7.776 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183375 1072783970 /nfs/dbraw/zinc/78/39/70/1072783970.db2.gz BPZYYNZCYWQWHA-NSZXKBIDSA-N 0 0 577.706 6.088 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183155 1072784399 /nfs/dbraw/zinc/78/43/99/1072784399.db2.gz AMSXQEZILHRZNJ-UJBYRJLJSA-N 0 0 807.723 8.338 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183211 1072785000 /nfs/dbraw/zinc/78/50/00/1072785000.db2.gz AYAOCIUXZNYHDS-IOSUBWPCSA-N 0 0 780.716 8.569 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409183291 1072785899 /nfs/dbraw/zinc/78/58/99/1072785899.db2.gz BEIZTNJSOSCHKU-RHANQZHGSA-N 0 0 621.111 6.098 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183064 1072786295 /nfs/dbraw/zinc/78/62/95/1072786295.db2.gz ABXQAUJEBHFWDP-XIIJSIAZSA-N 0 0 685.806 7.396 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000409412381 1072787684 /nfs/dbraw/zinc/78/76/84/1072787684.db2.gz VUEGEFLERFZWDC-UHFFFAOYSA-N 0 0 571.699 5.340 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182801 1072788016 /nfs/dbraw/zinc/78/80/16/1072788016.db2.gz OCKIJAQSYMQPIW-RQBZGXNNSA-N 0 0 711.287 8.736 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(F)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182078 1072792805 /nfs/dbraw/zinc/79/28/05/1072792805.db2.gz HYLMMTAKQVNEDW-UPQXCOSDSA-N 0 0 565.670 6.219 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409182071 1072792896 /nfs/dbraw/zinc/79/28/96/1072792896.db2.gz IEHMIZUZZFQPBM-LSFURLLWSA-N 0 0 642.355 7.327 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181475 1072797433 /nfs/dbraw/zinc/79/74/33/1072797433.db2.gz BGBDKFLTQLEPEW-IDRDTGJUSA-N 0 0 776.753 8.738 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1ccccc1 ZINC000409180111 1072805753 /nfs/dbraw/zinc/80/57/53/1072805753.db2.gz PFHGOQXILTZAMT-FYJGNVAPSA-N 0 0 559.894 6.228 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409180041 1072807073 /nfs/dbraw/zinc/80/70/73/1072807073.db2.gz VQISXMZTPIWCQX-JAIQZWGSSA-N 0 0 502.448 5.947 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409409752 1072808191 /nfs/dbraw/zinc/80/81/91/1072808191.db2.gz WTYMUKIUCNHJCR-NDENLUEZSA-N 0 0 528.200 5.252 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409409809 1072808722 /nfs/dbraw/zinc/80/87/22/1072808722.db2.gz XHACQUDOSDKQIM-ODLFYWEKSA-N 0 0 558.226 5.261 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409179619 1072809498 /nfs/dbraw/zinc/80/94/98/1072809498.db2.gz SCFOCHWMPFJCAP-NHDPSOOVSA-N 0 0 520.434 7.126 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409179319 1072811383 /nfs/dbraw/zinc/81/13/83/1072811383.db2.gz RDWHMUPROXZYMT-CFRMEGHHSA-N 0 0 527.473 7.850 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409409160 1072811611 /nfs/dbraw/zinc/81/16/11/1072811611.db2.gz TWDMTNUJWIPCJK-UNOMPAQXSA-N 0 0 527.802 5.542 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409197209 1072826728 /nfs/dbraw/zinc/82/67/28/1072826728.db2.gz YPCJCMYSTHAODL-XODNFHPESA-N 0 0 642.561 6.865 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409197264 1072826817 /nfs/dbraw/zinc/82/68/17/1072826817.db2.gz ACPDVYSIUZJOQK-YDZHTSKRSA-N 0 0 569.502 6.189 40 10 KKCBRN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000409197078 1072827109 /nfs/dbraw/zinc/82/71/09/1072827109.db2.gz VKKOXIAGINSUEA-XIEYBQDHSA-N 0 0 508.643 7.040 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409196979 1072828404 /nfs/dbraw/zinc/82/84/04/1072828404.db2.gz YUEXNZOQVDDKHJ-JJFYIABZSA-N 0 0 621.512 5.848 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409196962 1072828543 /nfs/dbraw/zinc/82/85/43/1072828543.db2.gz TYQONHQZYCRCFL-YDZHTSKRSA-N 0 0 526.477 6.751 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409197010 1072828779 /nfs/dbraw/zinc/82/87/79/1072828779.db2.gz ZSFNSRJKTLVODO-RGVLZGJSSA-N 0 0 522.406 6.975 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409196618 1072830307 /nfs/dbraw/zinc/83/03/07/1072830307.db2.gz QIVHRUOKLVXCDV-VXLYETTFSA-N 0 0 535.828 6.985 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409195804 1072835435 /nfs/dbraw/zinc/83/54/35/1072835435.db2.gz LBQQAZCORXYCLF-RMORIDSASA-N 0 0 558.443 5.847 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409195629 1072835836 /nfs/dbraw/zinc/83/58/36/1072835836.db2.gz JRKDHJGDBCWSLA-AWQFTUOYSA-N 0 0 660.287 8.337 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409195279 1072837234 /nfs/dbraw/zinc/83/72/34/1072837234.db2.gz OBZLETBWGKVIIE-FMCGGJTJSA-N 0 0 539.907 7.511 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(OCc2ccccc2)c1 ZINC000409195326 1072837621 /nfs/dbraw/zinc/83/76/21/1072837621.db2.gz OQGAKDSGVYNGDK-MWAVMZGNSA-N 0 0 584.742 5.497 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409194828 1072840068 /nfs/dbraw/zinc/84/00/68/1072840068.db2.gz COASACPFHQKMJZ-YBFXNURJSA-N 0 0 526.401 6.267 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409194912 1072840158 /nfs/dbraw/zinc/84/01/58/1072840158.db2.gz FQCGSCAVIGVOPI-JJFYIABZSA-N 0 0 600.472 5.789 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409194377 1072845093 /nfs/dbraw/zinc/84/50/93/1072845093.db2.gz KVUJLVRRGCBCRA-PKAZHMFMSA-N 0 0 593.661 6.548 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409207115 1072886637 /nfs/dbraw/zinc/88/66/37/1072886637.db2.gz PHMCFKHMLAPZHN-JVWAILMASA-N 0 0 576.537 7.986 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409206869 1072888937 /nfs/dbraw/zinc/88/89/37/1072888937.db2.gz QRRDDBUDJZGADZ-WPWMEQJKSA-N 0 0 574.659 5.738 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409206098 1072894083 /nfs/dbraw/zinc/89/40/83/1072894083.db2.gz MHQQBVIJVCRIDW-DICXZTSXSA-N 0 0 557.741 6.169 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409205563 1072897673 /nfs/dbraw/zinc/89/76/73/1072897673.db2.gz QMLHSANWVHFUJJ-MYYYXRDXSA-N 0 0 584.620 5.625 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205335 1072900090 /nfs/dbraw/zinc/90/00/90/1072900090.db2.gz PUDJPINMOMWQCQ-KEBDBYFISA-N 0 0 548.429 6.893 40 10 KKCBRN O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204965 1072901442 /nfs/dbraw/zinc/90/14/42/1072901442.db2.gz DRUDDLJUOLVNQR-AUWJEWJLSA-N 0 0 518.195 5.165 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409204837 1072902479 /nfs/dbraw/zinc/90/24/79/1072902479.db2.gz JZHSCTLKXPCHNC-XKZIYDEJSA-N 0 0 539.476 6.181 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409201634 1072917298 /nfs/dbraw/zinc/91/72/98/1072917298.db2.gz NDRVKIJNGOSVSJ-UVHMKAGCSA-N 0 0 583.924 8.874 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409201259 1072918155 /nfs/dbraw/zinc/91/81/55/1072918155.db2.gz OZPSLSMJOCODEF-LPYMAVHISA-N 0 0 556.587 6.215 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409200281 1072922871 /nfs/dbraw/zinc/92/28/71/1072922871.db2.gz REAUBEOUWSTBDE-UUYOSTAYSA-N 0 0 523.548 5.496 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409198824 1072927998 /nfs/dbraw/zinc/92/79/98/1072927998.db2.gz LMEAPSGEVMVMSZ-UQQQWYQISA-N 0 0 529.643 5.275 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409198728 1072928517 /nfs/dbraw/zinc/92/85/17/1072928517.db2.gz KIEGHOJFZWJXIS-CIAFOILYSA-N 0 0 638.346 7.047 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409198757 1072929002 /nfs/dbraw/zinc/92/90/02/1072929002.db2.gz FANUWQHQZXGTPJ-WSDLNYQXSA-N 0 0 607.922 7.246 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409198564 1072929575 /nfs/dbraw/zinc/92/95/75/1072929575.db2.gz HXPHEVCGPXEIGY-MFOYZWKCSA-N 0 0 587.311 5.568 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198445 1072930495 /nfs/dbraw/zinc/93/04/95/1072930495.db2.gz GALJXNYEMKQMAL-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])SC1=S ZINC000409198132 1072931906 /nfs/dbraw/zinc/93/19/06/1072931906.db2.gz XXDHHKQKWNMZLL-YDZHTSKRSA-N 0 0 508.577 5.597 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409197837 1072933807 /nfs/dbraw/zinc/93/38/07/1072933807.db2.gz PWHBHDQANFXZBD-ZXVVBBHZSA-N 0 0 519.442 8.229 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409207579 1072941808 /nfs/dbraw/zinc/94/18/08/1072941808.db2.gz WWUGCWINTJRMKY-ZMOGYAJESA-N 0 0 583.529 6.498 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)ccc1Cl ZINC000409207671 1072942276 /nfs/dbraw/zinc/94/22/76/1072942276.db2.gz WXIXZPGSGYNPAL-NDENLUEZSA-N 0 0 514.968 6.091 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409216739 1072944491 /nfs/dbraw/zinc/94/44/91/1072944491.db2.gz KZXNJZFXGZCOPB-KEBDBYFISA-N 0 0 534.806 6.593 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409225725 1072977443 /nfs/dbraw/zinc/97/74/43/1072977443.db2.gz KMZOFDMDJGKOGT-LQKURTRISA-N 0 0 563.506 8.216 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409222720 1072990782 /nfs/dbraw/zinc/99/07/82/1072990782.db2.gz DGEULZKWMHLBPT-XYGWBWBKSA-N 0 0 568.120 6.228 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)ccc1Br ZINC000409221587 1072998141 /nfs/dbraw/zinc/99/81/41/1072998141.db2.gz SLBSZEIEVBNBDZ-XHFXOGKZSA-N 0 0 567.530 6.737 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409221531 1072999185 /nfs/dbraw/zinc/99/91/85/1072999185.db2.gz RPLPJVZZLFCFJQ-IUXPMGMMSA-N 0 0 588.876 5.110 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409221467 1072999221 /nfs/dbraw/zinc/99/92/21/1072999221.db2.gz QSPOOQTVIJPJAC-OYKKKHCWSA-N 0 0 557.068 6.610 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c1 ZINC000409220750 1073002842 /nfs/dbraw/zinc/00/28/42/1073002842.db2.gz FGEOXCJZMLTVID-VEILYXNESA-N 0 0 568.676 6.911 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409220562 1073003793 /nfs/dbraw/zinc/00/37/93/1073003793.db2.gz BNHAARYKGTYEKG-QRVIBDJDSA-N 0 0 557.068 6.528 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409217541 1073015150 /nfs/dbraw/zinc/01/51/50/1073015150.db2.gz DBCNJKHXEQKFTI-UHFFFAOYSA-N 0 0 640.490 6.367 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409229634 1073019010 /nfs/dbraw/zinc/01/90/10/1073019010.db2.gz SDISUPVERODJMJ-IXGURIBZSA-N 0 0 567.516 5.790 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409229557 1073020725 /nfs/dbraw/zinc/02/07/25/1073020725.db2.gz QZSMQBNIDLYOIE-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409229544 1073020754 /nfs/dbraw/zinc/02/07/54/1073020754.db2.gz QWKPABWZLZYQTC-SRZZPIQSSA-N 0 0 557.832 5.050 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1 ZINC000409229211 1073021919 /nfs/dbraw/zinc/02/19/19/1073021919.db2.gz LHOFMGATRYZYTE-WSDLNYQXSA-N 0 0 540.439 5.540 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409229196 1073022142 /nfs/dbraw/zinc/02/21/42/1073022142.db2.gz LBBCNJHDZCVDTH-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409229016 1073023467 /nfs/dbraw/zinc/02/34/67/1073023467.db2.gz ILMNSYYGKPTODV-ONUIUJJFSA-N 0 0 581.159 6.817 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409228630 1073026237 /nfs/dbraw/zinc/02/62/37/1073026237.db2.gz BUTMCCQPEMQGSX-IWIPYMOSSA-N 0 0 572.630 6.175 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409228458 1073027233 /nfs/dbraw/zinc/02/72/33/1073027233.db2.gz YXZAIUUYQGAUBP-QZPXRHMKSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409227821 1073030860 /nfs/dbraw/zinc/03/08/60/1073030860.db2.gz RMLDCGMHTPEUQM-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409237283 1073033468 /nfs/dbraw/zinc/03/34/68/1073033468.db2.gz JFUOZWPCYAXIDU-MYYYXRDXSA-N 0 0 550.677 6.573 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2Cl)cc1 ZINC000409236684 1073037736 /nfs/dbraw/zinc/03/77/36/1073037736.db2.gz GFQIAJXQAWUQEV-QRVIBDJDSA-N 0 0 577.049 7.345 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1 ZINC000409236504 1073038367 /nfs/dbraw/zinc/03/83/67/1073038367.db2.gz SLTWUPORBLRMCL-KSEXSDGBSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)c(OCC)c3)SC2=S)cc1 ZINC000409236418 1073039632 /nfs/dbraw/zinc/03/96/32/1073039632.db2.gz FWEYKLYRTGWNLL-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409235719 1073042495 /nfs/dbraw/zinc/04/24/95/1073042495.db2.gz PZPBPTFVLSBJSQ-ZVHZXABRSA-N 0 0 517.010 5.971 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)SC1=S ZINC000409235672 1073043310 /nfs/dbraw/zinc/04/33/10/1073043310.db2.gz PPDJKXKDICYXLW-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409234859 1073046906 /nfs/dbraw/zinc/04/69/06/1073046906.db2.gz NJNKEMBHSYONRP-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409234777 1073048318 /nfs/dbraw/zinc/04/83/18/1073048318.db2.gz MJTAQHNFPFYDBM-MXAYSNPKSA-N 0 0 562.669 5.460 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409234828 1073048940 /nfs/dbraw/zinc/04/89/40/1073048940.db2.gz MXDVNMHKHAWDCP-APSNUPSMSA-N 0 0 562.294 5.613 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409234290 1073050577 /nfs/dbraw/zinc/05/05/77/1073050577.db2.gz KJDRXYAKYVENSV-BKUYFWCQSA-N 0 0 554.612 5.359 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409234041 1073052526 /nfs/dbraw/zinc/05/25/26/1073052526.db2.gz YBROHRNRQSQTJN-XKZIYDEJSA-N 0 0 561.031 6.440 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1 ZINC000409234066 1073052928 /nfs/dbraw/zinc/05/29/28/1073052928.db2.gz YNCOIOXQDOWOOO-HAHDFKILSA-N 0 0 558.603 6.527 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409233643 1073055386 /nfs/dbraw/zinc/05/53/86/1073055386.db2.gz GYUHWVWXSBAZIL-CFRMEGHHSA-N 0 0 557.068 6.473 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409232666 1073058993 /nfs/dbraw/zinc/05/89/93/1073058993.db2.gz BBPVEGRPGUFPAK-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2OCC)cc1 ZINC000409232726 1073059577 /nfs/dbraw/zinc/05/95/77/1073059577.db2.gz PBFZLBYNCRAXBN-ONUIUJJFSA-N 0 0 564.685 5.916 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409232454 1073061213 /nfs/dbraw/zinc/06/12/13/1073061213.db2.gz HXEOIZDWGNOFQO-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409232068 1073062196 /nfs/dbraw/zinc/06/21/96/1073062196.db2.gz NUCGKSUIYXKGKG-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409232019 1073063557 /nfs/dbraw/zinc/06/35/57/1073063557.db2.gz NKVHERONBULYFR-OEAKJJBVSA-N 0 0 509.031 5.489 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409231407 1073065034 /nfs/dbraw/zinc/06/50/34/1073065034.db2.gz JWDIQFHCQURFHY-OYKKKHCWSA-N 0 0 587.550 6.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409231336 1073065570 /nfs/dbraw/zinc/06/55/70/1073065570.db2.gz BYXVFILWSDYONC-ONUIUJJFSA-N 0 0 561.729 6.191 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409230606 1073068407 /nfs/dbraw/zinc/06/84/07/1073068407.db2.gz ZZWJSMPIYKPGGE-MYYYXRDXSA-N 0 0 583.131 6.787 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409230699 1073069014 /nfs/dbraw/zinc/06/90/14/1073069014.db2.gz FQJYYBZTWJJSNZ-WMWHPZEKSA-N 0 0 572.630 6.694 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409230536 1073069401 /nfs/dbraw/zinc/06/94/01/1073069401.db2.gz ZEFNUQMIAZJOBC-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409230402 1073070493 /nfs/dbraw/zinc/07/04/93/1073070493.db2.gz CZTMIFWTJLCYRV-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409247251 1073071379 /nfs/dbraw/zinc/07/13/79/1073071379.db2.gz CSFAEUUTKOMWIN-QRVIBDJDSA-N 0 0 557.068 6.528 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)cc1 ZINC000409247130 1073071726 /nfs/dbraw/zinc/07/17/26/1073071726.db2.gz GJOOOAJQFJBUNC-OGLMXYFKSA-N 0 0 614.705 6.837 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409247183 1073072293 /nfs/dbraw/zinc/07/22/93/1073072293.db2.gz CIMXGIWRFLMRRX-FMCGGJTJSA-N 0 0 577.942 7.633 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409246633 1073076056 /nfs/dbraw/zinc/07/60/56/1073076056.db2.gz JXLGIFMYMPNGMS-UUYOSTAYSA-N 0 0 587.517 6.086 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409245935 1073079802 /nfs/dbraw/zinc/07/98/02/1073079802.db2.gz BBBFWXVOPQMUFP-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409245655 1073082116 /nfs/dbraw/zinc/08/21/16/1073082116.db2.gz XCZUANGFGILPFO-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409245717 1073082332 /nfs/dbraw/zinc/08/23/32/1073082332.db2.gz YCSRDLNTAYFRRW-MOSHPQCFSA-N 0 0 549.512 5.785 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409245713 1073082380 /nfs/dbraw/zinc/08/23/80/1073082380.db2.gz YAJWZIUPWOTCKI-OYKKKHCWSA-N 0 0 587.550 6.772 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409245705 1073082418 /nfs/dbraw/zinc/08/24/18/1073082418.db2.gz XXIDNDPFBZFJBK-IMRQLAEWSA-N 0 0 573.095 7.556 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OCC)c2)SC1=S ZINC000409245005 1073086606 /nfs/dbraw/zinc/08/66/06/1073086606.db2.gz MAKXIOHRMDTQIP-HMAPJEAMSA-N 0 0 577.566 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409244829 1073086839 /nfs/dbraw/zinc/08/68/39/1073086839.db2.gz JGAGPNFJNZMXOG-MTJSOVHGSA-N 0 0 563.484 6.404 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409244503 1073087889 /nfs/dbraw/zinc/08/78/89/1073087889.db2.gz DREJNCVLONJHME-IWIPYMOSSA-N 0 0 571.095 6.864 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1 ZINC000409244593 1073088451 /nfs/dbraw/zinc/08/84/51/1073088451.db2.gz FZWOHARNVZJJFW-HAHDFKILSA-N 0 0 569.502 6.271 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S ZINC000409244038 1073089905 /nfs/dbraw/zinc/08/99/05/1073089905.db2.gz WPUIVFHGSKGUHF-MOSHPQCFSA-N 0 0 549.512 5.785 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409244135 1073090233 /nfs/dbraw/zinc/09/02/33/1073090233.db2.gz YIPWQNJXOWAQAY-BRPDVVIDSA-N 0 0 566.704 7.465 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)c(OCC)c3)SC2=S)cc1 ZINC000409243843 1073091216 /nfs/dbraw/zinc/09/12/16/1073091216.db2.gz VDNHQRREGQVHTK-YSMPRRRNSA-N 0 0 583.131 6.869 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409243299 1073092383 /nfs/dbraw/zinc/09/23/83/1073092383.db2.gz ZYRAXQUYKVFKEE-MFKUBSTISA-N 0 0 516.022 6.576 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409243169 1073093555 /nfs/dbraw/zinc/09/35/55/1073093555.db2.gz ZLBDMNFJFIDUIZ-ZWXNIRCYSA-N 0 0 581.159 7.335 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409242409 1073097974 /nfs/dbraw/zinc/09/79/74/1073097974.db2.gz URVXOEHUYXQLDC-NDENLUEZSA-N 0 0 563.539 6.012 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)SC1=S ZINC000409242068 1073098588 /nfs/dbraw/zinc/09/85/88/1073098588.db2.gz UHVBBDOTYUKJAV-HMAPJEAMSA-N 0 0 577.566 6.483 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000409241948 1073099413 /nfs/dbraw/zinc/09/94/13/1073099413.db2.gz SXSWFNIVIKZRSV-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c1 ZINC000409241615 1073100716 /nfs/dbraw/zinc/10/07/16/1073100716.db2.gz KLWVUKOKYCXMPN-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409241614 1073100757 /nfs/dbraw/zinc/10/07/57/1073100757.db2.gz KLFZFWKVZVRCJN-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409241357 1073102220 /nfs/dbraw/zinc/10/22/20/1073102220.db2.gz RRLNRRBNEDKNPK-AIRTYWKNSA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)c(OCC)c3)SC2=S)cc1 ZINC000409241030 1073104158 /nfs/dbraw/zinc/10/41/58/1073104158.db2.gz MYRNEELTHQXOKV-ONUIUJJFSA-N 0 0 562.713 6.524 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409241084 1073104252 /nfs/dbraw/zinc/10/42/52/1073104252.db2.gz XADNXCGUVRCOFB-ZMFRSBBQSA-N 0 0 562.669 5.460 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409240831 1073104694 /nfs/dbraw/zinc/10/46/94/1073104694.db2.gz QCILFQGQKUDPLU-IWIPYMOSSA-N 0 0 587.550 7.378 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C2=O)cc1 ZINC000409240803 1073106740 /nfs/dbraw/zinc/10/67/40/1073106740.db2.gz ICBPVDQSHINWGJ-WKULSOCRSA-N 0 0 636.557 7.664 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409240325 1073109372 /nfs/dbraw/zinc/10/93/72/1073109372.db2.gz SMYYSFGWJMWFCK-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000409240081 1073111350 /nfs/dbraw/zinc/11/13/50/1073111350.db2.gz JMLXDSATUSWVKT-HAHDFKILSA-N 0 0 569.502 6.271 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409239614 1073113860 /nfs/dbraw/zinc/11/38/60/1073113860.db2.gz HQQDSIFODFGMTE-XLFQKYORSA-N 0 0 557.068 6.468 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 ZINC000409238782 1073116891 /nfs/dbraw/zinc/11/68/91/1073116891.db2.gz BNILHPHSYHRAED-MXAYSNPKSA-N 0 0 567.088 6.050 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1Cl ZINC000409238082 1073122321 /nfs/dbraw/zinc/12/23/21/1073122321.db2.gz BXLSZFYXSQBXHE-MYKKPKGFSA-N 0 0 553.061 5.796 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409238157 1073122328 /nfs/dbraw/zinc/12/23/28/1073122328.db2.gz LVUMOEIYOZGDPP-OVVQPSECSA-N 0 0 564.711 6.688 40 10 KKCBRN Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000409237996 1073123366 /nfs/dbraw/zinc/12/33/66/1073123366.db2.gz JUKXLSUTZUZNQX-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409237677 1073125502 /nfs/dbraw/zinc/12/55/02/1073125502.db2.gz KUCIGEQLHTXKCA-IMRQLAEWSA-N 0 0 561.729 6.137 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409250907 1073131834 /nfs/dbraw/zinc/13/18/34/1073131834.db2.gz OSEWCFPYTGIUPA-RWPZCVJISA-N 0 0 573.621 6.626 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)cc1Cl ZINC000409250463 1073134460 /nfs/dbraw/zinc/13/44/60/1073134460.db2.gz LXEYVZNOMYPQOP-YNJLWJOVSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409250145 1073138117 /nfs/dbraw/zinc/13/81/17/1073138117.db2.gz WGTWTZGQHYCBQT-MTJSOVHGSA-N 0 0 579.914 7.079 40 10 KKCBRN Cc1ccccc1NC(=O)COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409249452 1073141285 /nfs/dbraw/zinc/14/12/85/1073141285.db2.gz JEJBXGJEPQRVGY-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1C ZINC000409249378 1073142654 /nfs/dbraw/zinc/14/26/54/1073142654.db2.gz HOQRUGRLLANZGH-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409249017 1073144287 /nfs/dbraw/zinc/14/42/87/1073144287.db2.gz MIWQUBJQMYDCHC-IWIPYMOSSA-N 0 0 569.104 6.479 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409248993 1073144302 /nfs/dbraw/zinc/14/43/02/1073144302.db2.gz RWFWXMSMNGZEDR-KQWNVCNZSA-N 0 0 553.503 5.911 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409249130 1073145275 /nfs/dbraw/zinc/14/52/75/1073145275.db2.gz MRMAOFUCEWJZOL-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)c(OC)c3)SC2=S)cc1 ZINC000409248425 1073147871 /nfs/dbraw/zinc/14/78/71/1073147871.db2.gz GKFLTXBEDZXMLZ-OYKKKHCWSA-N 0 0 536.631 5.136 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409248521 1073148833 /nfs/dbraw/zinc/14/88/33/1073148833.db2.gz KYOKDECVNQJDAL-NDENLUEZSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409248335 1073149325 /nfs/dbraw/zinc/14/93/25/1073149325.db2.gz PXIUDEQPPIXOBR-JLPGSUDCSA-N 0 0 553.105 6.724 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409248110 1073151329 /nfs/dbraw/zinc/15/13/29/1073151329.db2.gz BZUNLWYVYRYINE-GTNUZRKBSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409247829 1073151407 /nfs/dbraw/zinc/15/14/07/1073151407.db2.gz OEMGJGUMDFXGBY-VYYCAZPPSA-N 0 0 576.696 5.850 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409247770 1073152571 /nfs/dbraw/zinc/15/25/71/1073152571.db2.gz NTIQTBWWRKMBAP-WGOQTCKBSA-N 0 0 527.024 5.745 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409247539 1073152966 /nfs/dbraw/zinc/15/29/66/1073152966.db2.gz DDZHTNAEYLTQGY-HPUZFYODSA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409247543 1073153407 /nfs/dbraw/zinc/15/34/07/1073153407.db2.gz DDZHTNAEYLTQGY-NLULDLIBSA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409247675 1073153800 /nfs/dbraw/zinc/15/38/00/1073153800.db2.gz AFCAJQLQQWSIDL-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1 ZINC000409247421 1073154203 /nfs/dbraw/zinc/15/42/03/1073154203.db2.gz CCBNGCMUMHRVCF-UHFFFAOYSA-N 0 0 517.541 5.288 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2Cl)cc1 ZINC000409256593 1073155328 /nfs/dbraw/zinc/15/53/28/1073155328.db2.gz MGHTWLHNKCEIEY-JLPGSUDCSA-N 0 0 523.079 6.110 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409256725 1073156169 /nfs/dbraw/zinc/15/61/69/1073156169.db2.gz PGFDXLQTCRZGJF-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409257124 1073158258 /nfs/dbraw/zinc/15/82/58/1073158258.db2.gz QTEOBAGTGOOZPB-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)c(OC)c3)SC2=S)cc1 ZINC000409257104 1073158286 /nfs/dbraw/zinc/15/82/86/1073158286.db2.gz QIIWHAZKIXXVSA-MYYYXRDXSA-N 0 0 534.659 5.690 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2OC)cc1 ZINC000409256739 1073159457 /nfs/dbraw/zinc/15/94/57/1073159457.db2.gz PKMIQQYTGMETIJ-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256999 1073159485 /nfs/dbraw/zinc/15/94/85/1073159485.db2.gz RANDSGOPMBQANQ-QQXSKIMKSA-N 0 0 547.702 5.801 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409256193 1073162382 /nfs/dbraw/zinc/16/23/82/1073162382.db2.gz KGRCXSLWWJSITM-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409255796 1073165409 /nfs/dbraw/zinc/16/54/09/1073165409.db2.gz IWAMSMUJCVHDDR-LIAPLOTISA-N 0 0 518.660 5.984 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409254972 1073169959 /nfs/dbraw/zinc/16/99/59/1073169959.db2.gz GMKQGZFXQYEJDH-KQWNVCNZSA-N 0 0 539.078 5.810 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409254301 1073174139 /nfs/dbraw/zinc/17/41/39/1073174139.db2.gz WWSNLSFCPGYIPO-UCQKPKSFSA-N 0 0 527.042 5.941 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254192 1073175954 /nfs/dbraw/zinc/17/59/54/1073175954.db2.gz VUTRWZIFEHZJCW-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1 ZINC000409254237 1073175963 /nfs/dbraw/zinc/17/59/63/1073175963.db2.gz HYLNKLXAXLHWCP-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409253826 1073177593 /nfs/dbraw/zinc/17/75/93/1073177593.db2.gz VNEXJJCWKWHTNX-MFOYZWKCSA-N 0 0 541.876 5.316 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409253834 1073177616 /nfs/dbraw/zinc/17/76/16/1073177616.db2.gz CBMJRKRIYKYFCA-SNNLMFDCSA-N 0 0 539.078 6.329 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409253587 1073180145 /nfs/dbraw/zinc/18/01/45/1073180145.db2.gz ZXTVRXGPXJCVHH-OYKKKHCWSA-N 0 0 587.645 6.203 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409253197 1073182993 /nfs/dbraw/zinc/18/29/93/1073182993.db2.gz YZOMQBBGHYIECL-XYGWBWBKSA-N 0 0 583.131 6.869 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1Cl ZINC000409252996 1073183889 /nfs/dbraw/zinc/18/38/89/1073183889.db2.gz FSBSECHXZIZVKR-YVNNLAQVSA-N 0 0 547.460 6.864 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)SC1=S ZINC000409252574 1073186670 /nfs/dbraw/zinc/18/66/70/1073186670.db2.gz CKTWQBLRZRYKJX-UKWGHVSLSA-N 0 0 525.479 6.021 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1 ZINC000409252610 1073187018 /nfs/dbraw/zinc/18/70/18/1073187018.db2.gz UESBZRHXMDIAHS-JLPGSUDCSA-N 0 0 519.648 5.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409252632 1073187044 /nfs/dbraw/zinc/18/70/44/1073187044.db2.gz TTYRIWHHDSKKGB-HZRSJKMUSA-N 0 0 571.095 6.858 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1Cl ZINC000409251623 1073191384 /nfs/dbraw/zinc/19/13/84/1073191384.db2.gz VBIHNYKRATTXDF-UUYOSTAYSA-N 0 0 573.921 6.834 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409251608 1073193012 /nfs/dbraw/zinc/19/30/12/1073193012.db2.gz PYUBALUPJYFJQF-UWVJOHFNSA-N 0 0 574.349 6.775 40 10 KKCBRN Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409265256 1073194440 /nfs/dbraw/zinc/19/44/40/1073194440.db2.gz RPGADNGLBJJDSA-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)c(C)c1 ZINC000409262908 1073195255 /nfs/dbraw/zinc/19/52/55/1073195255.db2.gz GETBNYOKMYECMJ-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409267158 1073196642 /nfs/dbraw/zinc/19/66/42/1073196642.db2.gz SRYSJEJUSUCUJN-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409267032 1073197973 /nfs/dbraw/zinc/19/79/73/1073197973.db2.gz RODJSDBQVPKCMA-UQQQWYQISA-N 0 0 532.687 5.773 40 10 KKCBRN CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)c(Cl)c3)S2)CC1 ZINC000001879305 1073199635 /nfs/dbraw/zinc/19/96/35/1073199635.db2.gz WTIREULGAXSOTE-KOEQRZSOSA-N 0 0 565.095 5.837 40 10 KKCBRN O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000002590364 1073200476 /nfs/dbraw/zinc/20/04/76/1073200476.db2.gz XISNPTZRKCCEDL-OEAKJJBVSA-N 0 0 504.036 6.672 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1C ZINC000409266541 1073200609 /nfs/dbraw/zinc/20/06/09/1073200609.db2.gz ZTPBWAOKFCCBTD-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409266438 1073201924 /nfs/dbraw/zinc/20/19/24/1073201924.db2.gz WWPXQZBCFJOLJG-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)SC2=S)cc1 ZINC000409266108 1073203209 /nfs/dbraw/zinc/20/32/09/1073203209.db2.gz JQUCRSVDYMXONQ-IWIPYMOSSA-N 0 0 520.632 5.517 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000033860171 1073203673 /nfs/dbraw/zinc/20/36/73/1073203673.db2.gz RITCOQYXEBTTIC-KOEQRZSOSA-N 0 0 515.660 6.713 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409265787 1073204796 /nfs/dbraw/zinc/20/47/96/1073204796.db2.gz PFAAVOXEKUBAMA-RIRGPFDCSA-N 0 0 546.714 6.682 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1 ZINC000409266042 1073204828 /nfs/dbraw/zinc/20/48/28/1073204828.db2.gz JHVBETYYCBHTGK-UQQQWYQISA-N 0 0 533.675 5.575 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1Cl ZINC000033736583 1073207827 /nfs/dbraw/zinc/20/78/27/1073207827.db2.gz OCPSDONJJAIGTF-BUVRLJJBSA-N 0 0 526.127 7.229 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)cc2OC)cc1 ZINC000409265087 1073208354 /nfs/dbraw/zinc/20/83/54/1073208354.db2.gz SEPKTBLLRPFMDX-ONUIUJJFSA-N 0 0 532.687 6.243 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1C ZINC000409264919 1073209214 /nfs/dbraw/zinc/20/92/14/1073209214.db2.gz HAODWKIGAHGVOF-UHFFFAOYSA-N 0 0 614.485 7.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409264280 1073213590 /nfs/dbraw/zinc/21/35/90/1073213590.db2.gz QIFMVZLAGOFUNF-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)SC2=S)cc1 ZINC000409263478 1073217309 /nfs/dbraw/zinc/21/73/09/1073217309.db2.gz LFOIWCCTAGQXJZ-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263081 1073219710 /nfs/dbraw/zinc/21/97/10/1073219710.db2.gz GUVLFKGNPOHEEV-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c1 ZINC000409262769 1073220275 /nfs/dbraw/zinc/22/02/75/1073220275.db2.gz HBMFLPYGKWVWCA-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c(C)c1 ZINC000409262312 1073221791 /nfs/dbraw/zinc/22/17/91/1073221791.db2.gz HPZKZMNFBFOMDE-UCQKPKSFSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409262200 1073223101 /nfs/dbraw/zinc/22/31/01/1073223101.db2.gz FTLSMUXIDLWTNA-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)c(C)c1 ZINC000409262186 1073223186 /nfs/dbraw/zinc/22/31/86/1073223186.db2.gz FYSMBPFKKGPGNS-UCQKPKSFSA-N 0 0 542.604 6.746 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)SC1=S ZINC000409262243 1073223486 /nfs/dbraw/zinc/22/34/86/1073223486.db2.gz FYZWLZDMBYOZJX-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409262053 1073223833 /nfs/dbraw/zinc/22/38/33/1073223833.db2.gz CGQTUVLRHNSHSV-QQXSKIMKSA-N 0 0 546.714 6.742 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409261568 1073226096 /nfs/dbraw/zinc/22/60/96/1073226096.db2.gz DSUUPGQOKZEHOU-XYGWBWBKSA-N 0 0 533.675 5.493 40 10 KKCBRN O=C(COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261454 1073226944 /nfs/dbraw/zinc/22/69/44/1073226944.db2.gz DBCFHJRQKQVFCP-UHFFFAOYSA-N 0 0 620.876 7.248 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409261427 1073226966 /nfs/dbraw/zinc/22/69/66/1073226966.db2.gz BQQHPEUNUMORSF-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)c(C)c1 ZINC000409261214 1073229136 /nfs/dbraw/zinc/22/91/36/1073229136.db2.gz BYTSZEQAUASBFK-UCQKPKSFSA-N 0 0 542.604 6.746 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409261245 1073229157 /nfs/dbraw/zinc/22/91/57/1073229157.db2.gz BIQIVDXDHGHSQV-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409261086 1073230469 /nfs/dbraw/zinc/23/04/69/1073230469.db2.gz BAFAPPYJYBUWOX-PKIWBCANSA-N 0 0 533.071 5.136 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2OC)cc1 ZINC000409260848 1073230764 /nfs/dbraw/zinc/23/07/64/1073230764.db2.gz XMSYDWYNTPWQRW-ITYLOYPMSA-N 0 0 548.686 5.555 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2Cl)cc1 ZINC000409260930 1073231131 /nfs/dbraw/zinc/23/11/31/1073231131.db2.gz YQGNZKPTSPZYRW-UUMRFZBWSA-N 0 0 517.072 5.300 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409260771 1073231880 /nfs/dbraw/zinc/23/18/80/1073231880.db2.gz WDHJIIIXQUBTKA-XYGWBWBKSA-N 0 0 534.659 5.195 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409260402 1073233516 /nfs/dbraw/zinc/23/35/16/1073233516.db2.gz PVUAJEGVBCTULU-RHYJSTRDSA-N 0 0 523.463 5.391 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 ZINC000409259976 1073236235 /nfs/dbraw/zinc/23/62/35/1073236235.db2.gz IOFMYLAGLROUSW-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)SC2=S)cc1 ZINC000409259526 1073238688 /nfs/dbraw/zinc/23/86/88/1073238688.db2.gz ADUWPCFLISOVLK-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c(C)c1 ZINC000409259150 1073241916 /nfs/dbraw/zinc/24/19/16/1073241916.db2.gz XTZSRFKPWREOKO-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409258891 1073243369 /nfs/dbraw/zinc/24/33/69/1073243369.db2.gz YCOZFQBJWFCOJB-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409258772 1073244762 /nfs/dbraw/zinc/24/47/62/1073244762.db2.gz VHQFKHDHZLYHDO-SAHIIKMKSA-N 0 0 536.650 6.204 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258360 1073245441 /nfs/dbraw/zinc/24/54/41/1073245441.db2.gz SYNLDUDUINTSOM-UHFFFAOYSA-N 0 0 721.935 6.863 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409258421 1073246217 /nfs/dbraw/zinc/24/62/17/1073246217.db2.gz UBIZRYBKRKLDSY-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)c1 ZINC000409258196 1073246715 /nfs/dbraw/zinc/24/67/15/1073246715.db2.gz RWLQLUUPURELMI-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1 ZINC000409258059 1073247597 /nfs/dbraw/zinc/24/75/97/1073247597.db2.gz WBZSUMQCHSTDHX-HMAPJEAMSA-N 0 0 543.497 6.979 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)SC2=S)cc1 ZINC000409258066 1073247602 /nfs/dbraw/zinc/24/76/02/1073247602.db2.gz SYDBFUGIXGGVED-HAHDFKILSA-N 0 0 524.067 5.829 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c1 ZINC000409257921 1073248443 /nfs/dbraw/zinc/24/84/43/1073248443.db2.gz URZSYMYKVIXCEH-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409257904 1073248467 /nfs/dbraw/zinc/24/84/67/1073248467.db2.gz UJLKZYGWEGFKPQ-UHFFFAOYSA-N 0 0 575.621 5.913 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409257517 1073251303 /nfs/dbraw/zinc/25/13/03/1073251303.db2.gz SFJZERQZJHEERB-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409271825 1073260067 /nfs/dbraw/zinc/26/00/67/1073260067.db2.gz NQBYUZBTPVDUCC-RWPZCVJISA-N 0 0 631.711 5.750 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2OC)c1 ZINC000409271458 1073263813 /nfs/dbraw/zinc/26/38/13/1073263813.db2.gz LFHAMERKCGDPDB-QRVIBDJDSA-N 0 0 524.595 5.266 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409270957 1073266489 /nfs/dbraw/zinc/26/64/89/1073266489.db2.gz SFXXADFIGNTBGX-XYGWBWBKSA-N 0 0 536.650 6.210 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409270797 1073267960 /nfs/dbraw/zinc/26/79/60/1073267960.db2.gz AUSISFGPZVOAQO-MTJSOVHGSA-N 0 0 505.562 5.408 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000409270537 1073269693 /nfs/dbraw/zinc/26/96/93/1073269693.db2.gz QRALQPUSFTYZBD-IWIPYMOSSA-N 0 0 523.079 6.110 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409270377 1073270974 /nfs/dbraw/zinc/27/09/74/1073270974.db2.gz FBNKUZHYHIWTML-MTJSOVHGSA-N 0 0 532.540 6.268 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)c(C)c1 ZINC000409269594 1073275306 /nfs/dbraw/zinc/27/53/06/1073275306.db2.gz KNRMPKJPMWEYPA-FMCGGJTJSA-N 0 0 527.042 6.519 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269612 1073275659 /nfs/dbraw/zinc/27/56/59/1073275659.db2.gz KRXGUQNJCKCBLI-IMRQLAEWSA-N 0 0 546.714 6.164 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000409269558 1073276706 /nfs/dbraw/zinc/27/67/06/1073276706.db2.gz KFEAHDKGNZPFOF-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409268853 1073280890 /nfs/dbraw/zinc/28/08/90/1073280890.db2.gz BOGYBPHCQNTZQA-BKUYFWCQSA-N 0 0 536.597 5.511 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409268658 1073283237 /nfs/dbraw/zinc/28/32/37/1073283237.db2.gz XECIJHRSXGKBEW-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409268193 1073285542 /nfs/dbraw/zinc/28/55/42/1073285542.db2.gz RJPZEHFOZSQOFD-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 ZINC000409267717 1073287880 /nfs/dbraw/zinc/28/78/80/1073287880.db2.gz XGEYQZQICOHGCN-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000409267807 1073288224 /nfs/dbraw/zinc/28/82/24/1073288224.db2.gz WJOMCJDGHRHFIX-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2OC)c1 ZINC000409267580 1073288688 /nfs/dbraw/zinc/28/86/88/1073288688.db2.gz OEKREJCRZLAFRS-OYKKKHCWSA-N 0 0 520.632 5.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409267675 1073289574 /nfs/dbraw/zinc/28/95/74/1073289574.db2.gz VRHNADOWIMKREY-OYKKKHCWSA-N 0 0 536.650 6.183 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409276238 1073291156 /nfs/dbraw/zinc/29/11/56/1073291156.db2.gz ZDLOOSHKJBWXHD-ZVHZXABRSA-N 0 0 506.027 5.369 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)ccc1Cl ZINC000409274732 1073307048 /nfs/dbraw/zinc/30/70/48/1073307048.db2.gz XDHMZQHRTCYOLX-GRSHGNNSSA-N 0 0 566.861 5.020 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409273406 1073320151 /nfs/dbraw/zinc/32/01/51/1073320151.db2.gz XTUYHMIIWIBNHL-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224515892 193957055 /nfs/dbraw/zinc/95/70/55/193957055.db2.gz QRWSVMJOAXQSDQ-CLJLJLNGSA-N 0 0 561.505 6.215 40 10 KKCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224525657 193962727 /nfs/dbraw/zinc/96/27/27/193962727.db2.gz QDEVSOGGYRKURV-UHFFFAOYSA-N 0 0 502.655 5.933 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225542463 193974579 /nfs/dbraw/zinc/97/45/79/193974579.db2.gz XVGLUQITADCVPC-NOCHOARKSA-N 0 0 608.812 5.889 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225545386 193976505 /nfs/dbraw/zinc/97/65/05/193976505.db2.gz KLXFNWAGPUWQKY-XZWHSSHBSA-N 0 0 574.150 6.412 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409382240 195514347 /nfs/dbraw/zinc/51/43/47/195514347.db2.gz ZKFXZVQUJYKQJE-YSMPRRRNSA-N 0 0 513.663 5.641 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000408850290 195487749 /nfs/dbraw/zinc/48/77/49/195487749.db2.gz KLEQTAIGUCAMRM-GONGWJOBSA-N 0 0 714.629 6.285 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000409050321 195499248 /nfs/dbraw/zinc/49/92/48/195499248.db2.gz UMWSMEDZWBMFNQ-MKMNVTDBSA-N 0 0 611.317 6.267 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409050998 195501204 /nfs/dbraw/zinc/50/12/04/195501204.db2.gz GMBABYOJKPAGIH-OYKKKHCWSA-N 0 0 554.531 7.055 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)ccc1Br ZINC000409230650 195504631 /nfs/dbraw/zinc/50/46/31/195504631.db2.gz DWYOOTSSYVNHPU-JLPGSUDCSA-N 0 0 567.530 6.219 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Br ZINC000409231715 195508130 /nfs/dbraw/zinc/50/81/30/195508130.db2.gz LQKVTTBNSFLECG-CIAFOILYSA-N 0 0 501.833 6.747 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)NCc1ccccc1 ZINC000000920529 551574292 /nfs/dbraw/zinc/57/42/92/551574292.db2.gz NVYYNCVEIKLUGR-UHFFFAOYSA-N 0 0 502.615 5.353 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000002075880 551749926 /nfs/dbraw/zinc/74/99/26/551749926.db2.gz FHQRQLWLMLRAII-XFAGBWLFSA-N 0 0 550.305 7.383 40 10 KKCBRN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1 ZINC000002276121 552086582 /nfs/dbraw/zinc/08/65/82/552086582.db2.gz KKGQUPWMJOPNLH-XDHOZWIPSA-N 0 0 513.006 6.541 40 10 KKCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCc3ccccc3)nc12 ZINC000002288366 552087800 /nfs/dbraw/zinc/08/78/00/552087800.db2.gz YYHHEUYYPXLXJS-AYBPGSHHSA-N 0 0 526.687 5.620 40 10 KKCBRN Cc1cc(C(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000002644102 552144356 /nfs/dbraw/zinc/14/43/56/552144356.db2.gz NHMKBOWOJPUCSL-LJQDGHHOSA-N 0 0 553.324 7.251 40 10 KKCBRN CCC(=Cc1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(OC)cc2N1CC ZINC000003099641 552287941 /nfs/dbraw/zinc/28/79/41/552287941.db2.gz BPVXRCNZOAFWOB-UHFFFAOYSA-O 0 0 547.744 5.751 40 10 KKCBRN CC(C)c1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000003117757 552290677 /nfs/dbraw/zinc/29/06/77/552290677.db2.gz PDCTXOJFFQSJSZ-UHFFFAOYSA-N 0 0 502.013 8.364 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000003769142 552415381 /nfs/dbraw/zinc/41/53/81/552415381.db2.gz CHWVCHNIYNDHBA-WOJGMQOQSA-N 0 0 511.452 5.407 40 10 KKCBRN O=[N+]([N-]c1ccc(N=Nc2ccccc2)cc1)c1ccc(N=Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000003845145 552420222 /nfs/dbraw/zinc/42/02/22/552420222.db2.gz DSGDEFKRYSBKKU-SXRXZHDMSA-N 0 0 510.561 10.859 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000004131792 552442423 /nfs/dbraw/zinc/44/24/23/552442423.db2.gz NPUGASPDXRYGGI-PVHODMMVSA-N 0 0 533.967 5.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)c1 ZINC000004352825 552457739 /nfs/dbraw/zinc/45/77/39/552457739.db2.gz ZPOBKDWMRLBSGT-FMCGGJTJSA-N 0 0 606.947 7.113 40 10 KKCBRN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000004653053 552471160 /nfs/dbraw/zinc/47/11/60/552471160.db2.gz MQXFXDOVPQKRQG-SFOIAWIMSA-N 0 0 523.658 6.746 40 10 KKCBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000006195069 552566870 /nfs/dbraw/zinc/56/68/70/552566870.db2.gz YFUZHESRSFYOED-IBGZPJMESA-N 0 0 527.668 5.209 40 10 KKCBRN Cc1ccc(S(=O)(=O)N[C@H](c2ccc(N(C)C)c3c2cccc3N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000006245635 552574084 /nfs/dbraw/zinc/57/40/84/552574084.db2.gz ILMSBTFKVYLTOO-JOCHJYFZSA-N 0 0 514.906 5.670 40 10 KKCBRN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=c1/s/c(=C2\N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1 ZINC000006821672 552973176 /nfs/dbraw/zinc/97/31/76/552973176.db2.gz SGSDZTHQWBOGOV-HFBHLYPQSA-N 0 0 574.628 5.027 40 10 KKCBRN CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000008721953 553129637 /nfs/dbraw/zinc/12/96/37/553129637.db2.gz MOVJYNGHOWBOPF-BERHBOFZSA-N 0 0 501.966 6.248 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000008743306 553133502 /nfs/dbraw/zinc/13/35/02/553133502.db2.gz MJHHYGSAXPTSMW-MUPNOLHXSA-N 0 0 512.565 5.500 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)C1=O ZINC000008819332 553154005 /nfs/dbraw/zinc/15/40/05/553154005.db2.gz AEOUVQJXVDGCKH-STZFKDTASA-N 0 0 509.678 5.281 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000008819455 553154032 /nfs/dbraw/zinc/15/40/32/553154032.db2.gz WEGUOJGSYWNOIV-ODLFYWEKSA-N 0 0 511.452 5.631 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 ZINC000008819596 553154208 /nfs/dbraw/zinc/15/42/08/553154208.db2.gz LVMKDIRGXVTZFW-XLNRJJMWSA-N 0 0 510.681 5.282 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000008819541 553154265 /nfs/dbraw/zinc/15/42/65/553154265.db2.gz TZDITGLRZAIFST-NVMNQCDNSA-N 0 0 509.436 5.400 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)cc1 ZINC000008819710 553154518 /nfs/dbraw/zinc/15/45/18/553154518.db2.gz NGJCSERMZNCLBG-QJOMJCCJSA-N 0 0 521.733 6.443 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Br)C2=O)cc1 ZINC000008819767 553154519 /nfs/dbraw/zinc/15/45/19/553154519.db2.gz GMHLPJVIRYRBCH-HKWRFOASSA-N 0 0 503.487 6.158 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000008819931 553154579 /nfs/dbraw/zinc/15/45/79/553154579.db2.gz GKAFHEFZOCBMMZ-KQWNVCNZSA-N 0 0 512.697 6.029 40 10 KKCBRN CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000008820065 553154932 /nfs/dbraw/zinc/15/49/32/553154932.db2.gz SHAYCDMODZWPBS-XLNRJJMWSA-N 0 0 512.653 5.272 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1 ZINC000008820043 553154955 /nfs/dbraw/zinc/15/49/55/553154955.db2.gz QXTGOYQNSYYXQK-MOSHPQCFSA-N 0 0 511.650 5.425 40 10 KKCBRN CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000008820066 553154963 /nfs/dbraw/zinc/15/49/63/553154963.db2.gz MTCSRXSAWCYREW-XLNRJJMWSA-N 0 0 512.653 5.272 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 ZINC000008820030 553154977 /nfs/dbraw/zinc/15/49/77/553154977.db2.gz LGQVYDGZAWVUQT-AQTBWJFISA-N 0 0 518.686 5.010 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000008820145 553155100 /nfs/dbraw/zinc/15/51/00/553155100.db2.gz TZYVZWAMWZFNNR-UYRXBGFRSA-N 0 0 513.006 6.759 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1=O ZINC000008820647 553155526 /nfs/dbraw/zinc/15/55/26/553155526.db2.gz UWTUBXIOQOHMFY-QDHUOJBDSA-N 0 0 505.690 5.829 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000008820574 553155581 /nfs/dbraw/zinc/15/55/81/553155581.db2.gz WEYDSUSBGDXLFB-CCZTYZKPSA-N 0 0 504.721 6.096 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008821770 553155882 /nfs/dbraw/zinc/15/58/82/553155882.db2.gz YXRPTURHBOSRMS-UQQQWYQISA-N 0 0 508.018 5.851 40 10 KKCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)c(OC)c1 ZINC000008821784 553156103 /nfs/dbraw/zinc/15/61/03/553156103.db2.gz IOGWJFGMZWXSSP-CFRMEGHHSA-N 0 0 510.999 6.027 40 10 KKCBRN CCOc1ccccc1N1C(=O)/C(=C2/SC(=S)N(c3ccccc3OCC)C2=O)SC1=S ZINC000008828429 553157228 /nfs/dbraw/zinc/15/72/28/553157228.db2.gz DAYZWTLCQVENJC-ISLYRVAYSA-N 0 0 502.664 5.125 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000008984887 553196422 /nfs/dbraw/zinc/19/64/22/553196422.db2.gz LEDFVUHBIIVUEF-AHXGQMSJSA-N 0 0 506.628 5.435 40 10 KKCBRN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000009075597 553207350 /nfs/dbraw/zinc/20/73/50/553207350.db2.gz SMWOYMFBUREOQY-VTLMBFNKSA-N 0 0 527.709 7.139 40 10 KKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000009188830 553218279 /nfs/dbraw/zinc/21/82/79/553218279.db2.gz CPNQKKBYSAHRFK-USHMODERSA-N 0 0 509.652 7.772 40 10 KKCBRN CCOc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)Nc1ccc(F)cc1 ZINC000009232222 553223513 /nfs/dbraw/zinc/22/35/13/553223513.db2.gz WVURWFXNYBPVLM-LANLRWRYSA-N 0 0 502.589 5.216 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000009233243 553224198 /nfs/dbraw/zinc/22/41/98/553224198.db2.gz BTLUVPSMQVWAQR-WSDLNYQXSA-N 0 0 513.541 6.096 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000009310583 553238928 /nfs/dbraw/zinc/23/89/28/553238928.db2.gz WIZNPIVLBWLFJU-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000009361158 553248612 /nfs/dbraw/zinc/24/86/12/553248612.db2.gz UWWLAGMURWEMSR-RWBRMYDLSA-N 0 0 518.708 5.448 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000009434444 553263990 /nfs/dbraw/zinc/26/39/90/553263990.db2.gz OPJJSOUCHNAVNE-IHRWIMNOSA-N 0 0 506.628 5.435 40 10 KKCBRN CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000009477940 553272435 /nfs/dbraw/zinc/27/24/35/553272435.db2.gz GBKKQPUIFLMQLF-OWOAZTCBSA-N 0 0 522.428 7.606 40 10 KKCBRN Cc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010113193 553328953 /nfs/dbraw/zinc/32/89/53/553328953.db2.gz NWUYNLWEFSQHJS-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000012563450 553395508 /nfs/dbraw/zinc/39/55/08/553395508.db2.gz WARNRTSRGNJRGH-SNQIPGLNSA-N 0 0 524.646 7.111 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2Cl)cc1 ZINC000013672579 553482276 /nfs/dbraw/zinc/48/22/76/553482276.db2.gz OQUPTLJWLSYILE-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013676519 553482803 /nfs/dbraw/zinc/48/28/03/553482803.db2.gz FYBJVPSFFZPCRU-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)c2C)c1 ZINC000015013494 553525580 /nfs/dbraw/zinc/52/55/80/553525580.db2.gz UHWPNWUSANAOQV-YDZHTSKRSA-N 0 0 512.990 6.300 40 10 KKCBRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccc(Br)cc1-2 ZINC000015015892 553526084 /nfs/dbraw/zinc/52/60/84/553526084.db2.gz ULUMWLKBIJYHLO-QHCPKHFHSA-N 0 0 528.520 6.933 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000016323269 553560304 /nfs/dbraw/zinc/56/03/04/553560304.db2.gz RXEZUIUBARNGCJ-ZXVVBBHZSA-N 0 0 512.700 7.424 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000016362330 553561377 /nfs/dbraw/zinc/56/13/77/553561377.db2.gz SRPMLMZFQDDCRG-UNVFRBQDSA-N 0 0 509.469 6.693 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000016576785 553568498 /nfs/dbraw/zinc/56/84/98/553568498.db2.gz STTYYJPGWUNULT-WSLHGYQHSA-N 0 0 504.633 5.675 40 10 KKCBRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1 ZINC000016678253 553571700 /nfs/dbraw/zinc/57/17/00/553571700.db2.gz QDYUISFXNOEELM-UHFFFAOYSA-N 0 0 502.640 6.257 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4cc(Br)ccc4OC)ccc3o2)cc1 ZINC000016678546 553571860 /nfs/dbraw/zinc/57/18/60/553571860.db2.gz JZNZOKAQLMDVFM-OVCLIPMQSA-N 0 0 520.427 6.764 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc5c(Br)cccc45)ccc3o2)cc1 ZINC000016678613 553571871 /nfs/dbraw/zinc/57/18/71/553571871.db2.gz VRYJTLUIHSBCJV-UHFFFAOYSA-N 0 0 514.423 7.509 40 10 KKCBRN CCN1c2ccccc2S/C1=C\C(C)=C\c1sc2ccccc2[n+]1CC[C@H](C)OS(=O)(=O)[O-] ZINC000016681912 553572021 /nfs/dbraw/zinc/57/20/21/553572021.db2.gz ZYFOYDLYFBNRGW-SFHVURJKSA-O 0 0 503.691 5.664 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000016689186 553573445 /nfs/dbraw/zinc/57/34/45/553573445.db2.gz CWGRXAFBTBPXQS-MIXAMLLLSA-N 0 0 525.695 7.527 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000016689053 553573471 /nfs/dbraw/zinc/57/34/71/553573471.db2.gz NHPWOCVDAZLUFC-QQXSKIMKSA-N 0 0 505.661 6.383 40 10 KKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000020288013 553633068 /nfs/dbraw/zinc/63/30/68/553633068.db2.gz WFNLCYJNUZUBKS-QLTSDVKISA-N 0 0 501.630 6.532 40 10 KKCBRN CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000020288017 553633077 /nfs/dbraw/zinc/63/30/77/553633077.db2.gz IJXAEJMIDURYHZ-WMMMYUQOSA-N 0 0 516.601 6.432 40 10 KKCBRN CC(Nc1ccc(Oc2ccccc2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000020288338 553633513 /nfs/dbraw/zinc/63/35/13/553633513.db2.gz AWLANVHQAGFVPG-OOAXWGSJSA-N 0 0 502.599 7.226 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(C)cc23)cc1 ZINC000020288808 553633709 /nfs/dbraw/zinc/63/37/09/553633709.db2.gz AIIULRWOCOTCDI-DIBXZPPDSA-N 0 0 521.646 5.952 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 ZINC000020288879 553633904 /nfs/dbraw/zinc/63/39/04/553633904.db2.gz FVLQSEHUPQKJRB-BWAHOGKJSA-N 0 0 514.607 5.007 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccccc2-c2ccccc2)cc1 ZINC000020289105 553634197 /nfs/dbraw/zinc/63/41/97/553634197.db2.gz UAKZVWFXYFRYOG-RRAHZORUSA-N 0 0 504.546 6.407 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867562 553687863 /nfs/dbraw/zinc/68/78/63/553687863.db2.gz XTMLICIYPNABCR-KJUSBKSWSA-N 0 0 713.399 11.836 40 10 KKCBRN Nc1c(Sc2nc(Sc3ccc4c(c3N)C(=O)c3ccccc3C4=O)nc(Sc3ccc4c(c3N)C(=O)c3ccccc3C4=O)n2)ccc2c1Cc1ccccc1C2 ZINC000095100223 553698075 /nfs/dbraw/zinc/69/80/75/553698075.db2.gz BTOFTUJACCBWMN-UHFFFAOYSA-N 0 0 812.958 8.118 40 10 KKCBRN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859543 553762219 /nfs/dbraw/zinc/76/22/19/553762219.db2.gz OJZZRJOIPSIXRU-HEVIKAOCSA-N 0 0 598.652 5.069 40 10 KKCBRN Cc1ccc(C)c(C2=NN(C(=O)c3cc4cc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@H](c3ccccc3O)C2)c1 ZINC000097948699 553796020 /nfs/dbraw/zinc/79/60/20/553796020.db2.gz DCURTCOBCSMRBR-DEOSSOPVSA-N 0 0 595.046 8.049 40 10 KKCBRN COc1ccc(C2=NN(C(=O)c3cc4cc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@@H](c3ccccc3O)C2)cc1OC ZINC000097948998 553798414 /nfs/dbraw/zinc/79/84/14/553798414.db2.gz KTDNKPXVOAQUHZ-JOCHJYFZSA-N 0 0 627.044 7.449 40 10 KKCBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000097950319 553803663 /nfs/dbraw/zinc/80/36/63/553803663.db2.gz UWNISXSIGOHIFQ-SFHLTRMYSA-N 0 0 547.724 8.010 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1C(F)(F)F)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000097950372 553804290 /nfs/dbraw/zinc/80/42/90/553804290.db2.gz ZWLPHQWKKCSQQB-QHAWAJNXSA-N 0 0 525.866 5.054 40 10 KKCBRN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000097952140 553813452 /nfs/dbraw/zinc/81/34/52/553813452.db2.gz YCJJYVRHQNLDFK-LBRLCBGXSA-N 0 0 530.624 7.966 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000026533668 553819101 /nfs/dbraw/zinc/81/91/01/553819101.db2.gz XHHXFJDYVKSIAZ-OWWXUDICSA-N 0 0 526.772 5.903 40 10 KKCBRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000026967390 553822884 /nfs/dbraw/zinc/82/28/84/553822884.db2.gz QFKWKKLVLPCZQF-JHYAESMISA-N 0 0 512.480 5.563 40 10 KKCBRN O=C1C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000027627138 553835688 /nfs/dbraw/zinc/83/56/88/553835688.db2.gz UFXYRSPYQFQWFE-UHFFFAOYSA-N 0 0 518.516 6.714 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000097958561 553855905 /nfs/dbraw/zinc/85/59/05/553855905.db2.gz SGFWIAOGMGHMJL-LEXTUMAWSA-N 0 0 590.443 5.095 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000097964299 553896901 /nfs/dbraw/zinc/89/69/01/553896901.db2.gz AQGWNUAXONPBAW-UNADZTKGSA-N 0 0 538.702 6.436 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964288 553896939 /nfs/dbraw/zinc/89/69/39/553896939.db2.gz KHZIRQAZLRMXBL-NMHFRFNZSA-N 0 0 554.433 5.364 40 10 KKCBRN N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000097964366 553897470 /nfs/dbraw/zinc/89/74/70/553897470.db2.gz AGGBCQVBKDRBHN-NJABPNOBSA-N 0 0 525.080 6.735 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c2ccccc21 ZINC000097964361 553897499 /nfs/dbraw/zinc/89/74/99/553897499.db2.gz BYHBXFGXVYSOIW-IRCMEVCOSA-N 0 0 551.697 6.539 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 ZINC000097964677 553899804 /nfs/dbraw/zinc/89/98/04/553899804.db2.gz YITJVZKPJYYCGG-ZXALEFIUSA-N 0 0 548.112 6.964 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000097964692 553900096 /nfs/dbraw/zinc/90/00/96/553900096.db2.gz ZVTLKBSJWLCGQF-LDXXCKMXSA-N 0 0 620.469 5.185 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000097964680 553900119 /nfs/dbraw/zinc/90/01/19/553900119.db2.gz YLXYSJCRYBTLDN-ORQZCMOFSA-N 0 0 571.497 5.889 40 10 KKCBRN CCc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964795 553900882 /nfs/dbraw/zinc/90/08/82/553900882.db2.gz KMSPAQQFQQOQNQ-HOPZWBBKSA-N 0 0 534.645 5.654 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964804 553900918 /nfs/dbraw/zinc/90/09/18/553900918.db2.gz GLVJNJLADVBKPR-DNRRMPEUSA-N 0 0 531.428 6.059 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000097968623 553933755 /nfs/dbraw/zinc/93/37/55/553933755.db2.gz VDMUVWUHDLSSRE-XKZIYDEJSA-N 0 0 576.921 7.105 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000097972371 553966882 /nfs/dbraw/zinc/96/68/82/553966882.db2.gz DCGOCNUUHHYXJM-BHPJPYPXSA-N 0 0 718.673 7.267 40 10 KKCBRN COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1Cl ZINC000033920831 553976520 /nfs/dbraw/zinc/97/65/20/553976520.db2.gz IFTIGSTYXAGGPP-CTNWKKACSA-N 0 0 500.024 5.430 40 10 KKCBRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097979850 553983016 /nfs/dbraw/zinc/98/30/16/553983016.db2.gz NFNUBIWKVTYMAV-JEIPZWNWSA-N 0 0 560.466 7.839 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007407 554064262 /nfs/dbraw/zinc/06/42/62/554064262.db2.gz VSECMWWPNZFSJB-FAQZDJIUSA-N 0 0 550.105 5.025 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccccc3OCC(=O)Nc3ccc(OCC)cc3)C2=O)cc1 ZINC000036612286 554225737 /nfs/dbraw/zinc/22/57/37/554225737.db2.gz UKBIKFVQOILKJZ-NLRVBDNBSA-N 0 0 527.577 5.086 40 10 KKCBRN O=C(CSc1ncc(Cc2ccccc2Cl)s1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000036636072 554230192 /nfs/dbraw/zinc/23/01/92/554230192.db2.gz XPOLOQCNJLUTOS-UHFFFAOYSA-N 0 0 506.505 6.819 40 10 KKCBRN O=C1C(=Cc2ccc(O)cc2)C(Nc2cc([N+](=O)[O-])ccc2Cl)=NN1c1c(Cl)cc(Cl)cc1Cl ZINC000100191017 554244831 /nfs/dbraw/zinc/24/48/31/554244831.db2.gz LFAMDBZNWUZIRU-VIZOYTHASA-N 0 0 538.174 6.770 40 10 KKCBRN Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O[C@H](C)c1c(C)ccc(C)c1-c1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000100207355 554248244 /nfs/dbraw/zinc/24/82/44/554248244.db2.gz GMEHCXXNPOETNG-OAQYLSRUSA-N 0 0 559.493 8.444 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1F ZINC000100226884 554253514 /nfs/dbraw/zinc/25/35/14/554253514.db2.gz QJVFEOZAFTYLPD-YDZHTSKRSA-N 0 0 533.568 7.228 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000100238026 554259479 /nfs/dbraw/zinc/25/94/79/554259479.db2.gz AVSNKTPXICJONV-MIUGUJGPSA-N 0 0 624.590 6.301 40 10 KKCBRN CCOc1ccc(C2=C/C(=C/c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100239283 554260051 /nfs/dbraw/zinc/26/00/51/554260051.db2.gz MHUJWULHMJJZIU-HFTWOUSFSA-N 0 0 588.501 8.954 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)SC2=S)cc1 ZINC000100241552 554260509 /nfs/dbraw/zinc/26/05/09/554260509.db2.gz QMWLYIYVUYMDTP-IWIPYMOSSA-N 0 0 588.520 7.370 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000100241566 554260520 /nfs/dbraw/zinc/26/05/20/554260520.db2.gz FHYBDCAARZSBIK-WPWMEQJKSA-N 0 0 606.563 7.994 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000100262325 554265799 /nfs/dbraw/zinc/26/57/99/554265799.db2.gz XNYDMCHJOCKJIZ-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000100266259 554266871 /nfs/dbraw/zinc/26/68/71/554266871.db2.gz BIFRMYDQWJKPPM-YMINWEEVSA-N 0 0 522.340 5.285 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100266462 554266962 /nfs/dbraw/zinc/26/69/62/554266962.db2.gz UCRPVEBUJYDRQB-KROJBWAFSA-N 0 0 568.699 6.426 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000100266652 554267180 /nfs/dbraw/zinc/26/71/80/554267180.db2.gz KCRICADHDYYKKS-VGNQWNPKSA-N 0 0 595.508 6.744 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000100267086 554267381 /nfs/dbraw/zinc/26/73/81/554267381.db2.gz NFXPSEIJDAZPBT-POMLAKLWSA-N 0 0 567.111 6.883 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000100267126 554267407 /nfs/dbraw/zinc/26/74/07/554267407.db2.gz IVIBNACUXOIZJR-FDLDKBQRSA-N 0 0 543.443 5.335 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(C(C)(C)C)cc4)c(OCC)c3)C2=N)S1 ZINC000100267747 554267991 /nfs/dbraw/zinc/26/79/91/554267991.db2.gz XORRELNCFBOXNG-TVGJBFICSA-N 0 0 613.578 7.022 40 10 KKCBRN CCCCCCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100268424 554268201 /nfs/dbraw/zinc/26/82/01/554268201.db2.gz MMCDKODOVSERQW-RKYNOBFYSA-N 0 0 574.625 6.457 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000100272687 554270283 /nfs/dbraw/zinc/27/02/83/554270283.db2.gz AOOFRROQFRMAOQ-YMRCUSNSSA-N 0 0 538.673 6.634 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000100272984 554270716 /nfs/dbraw/zinc/27/07/16/554270716.db2.gz ZVBXAKMRFFHSMK-JZUBHEMNSA-N 0 0 526.618 5.437 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033079 554282521 /nfs/dbraw/zinc/28/25/21/554282521.db2.gz JTJMKOWQSVXEAH-UXCHMGEPSA-N 0 0 521.686 5.174 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000040940387 554291719 /nfs/dbraw/zinc/29/17/19/554291719.db2.gz GJXGUQHVYCGENV-UCQKPKSFSA-N 0 0 504.036 5.889 40 10 KKCBRN Cc1cc(C)cc(OCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000041076378 554291980 /nfs/dbraw/zinc/29/19/80/554291980.db2.gz YAPJGTPAGIDAPT-OTSKQWMFSA-N 0 0 525.678 6.537 40 10 KKCBRN Cc1c(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1CCOc1cccc(C)c1 ZINC000041076376 554291983 /nfs/dbraw/zinc/29/19/83/554291983.db2.gz ZORQIGMBVIIXKI-SFNHYTRNSA-N 0 0 525.678 6.537 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)cc1C ZINC000041076377 554292004 /nfs/dbraw/zinc/29/20/04/554292004.db2.gz SYFHGMVQGPTCGC-OTSKQWMFSA-N 0 0 525.678 6.537 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000041076712 554292223 /nfs/dbraw/zinc/29/22/23/554292223.db2.gz MDLCIDJQNXMUII-UWTHTANNSA-N 0 0 519.630 6.005 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000041082991 554294007 /nfs/dbraw/zinc/29/40/07/554294007.db2.gz UCVCVJBBJMKUOL-ADZLKVMLSA-N 0 0 513.019 5.472 40 10 KKCBRN Cc1ccc(C)c(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000041084205 554294401 /nfs/dbraw/zinc/29/44/01/554294401.db2.gz TWANHSXUYOKNPN-JTTMBOACSA-N 0 0 520.618 5.400 40 10 KKCBRN N=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000041084223 554294430 /nfs/dbraw/zinc/29/44/30/554294430.db2.gz ZLBGQTDCUZDCAN-WPSBMXLXSA-N 0 0 512.598 5.905 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1 ZINC000041108561 554295530 /nfs/dbraw/zinc/29/55/30/554295530.db2.gz NVTYLGHTZSTCBG-MIXAMLLLSA-N 0 0 526.727 7.554 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000100320033 554304474 /nfs/dbraw/zinc/30/44/74/554304474.db2.gz HHAQKPHXTRNWLB-CIAFOILYSA-N 0 0 524.354 6.169 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1 ZINC000100319974 554304480 /nfs/dbraw/zinc/30/44/80/554304480.db2.gz OIKADPNJKGABMU-FYJGNVAPSA-N 0 0 524.358 5.685 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100320001 554304531 /nfs/dbraw/zinc/30/45/31/554304531.db2.gz BUFFMADLSMJZRY-ZVHZXABRSA-N 0 0 527.414 7.480 40 10 KKCBRN CC(=O)c1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000100332826 554315412 /nfs/dbraw/zinc/31/54/12/554315412.db2.gz OLMXIJAKOLZLKX-MGBGTMOVSA-N 0 0 550.703 6.202 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100338356 554322330 /nfs/dbraw/zinc/32/23/30/554322330.db2.gz LONDAVUPWSLWKZ-VULFUBBASA-N 0 0 596.955 8.249 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)O2)cc1 ZINC000100340850 554325115 /nfs/dbraw/zinc/32/51/15/554325115.db2.gz MSCSUYDICZKDGR-YBFXNURJSA-N 0 0 527.798 6.680 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100340840 554325162 /nfs/dbraw/zinc/32/51/62/554325162.db2.gz LXNYIZNKGIILNJ-BUVRLJJBSA-N 0 0 587.536 7.038 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000100345726 554329869 /nfs/dbraw/zinc/32/98/69/554329869.db2.gz YZVDDVSPLGDRFY-LPYMAVHISA-N 0 0 530.440 6.582 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1 ZINC000100345758 554329917 /nfs/dbraw/zinc/32/99/17/554329917.db2.gz LPRDERRVPVGUAR-CIAFOILYSA-N 0 0 609.336 7.344 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000100367532 554353871 /nfs/dbraw/zinc/35/38/71/554353871.db2.gz DTFQNMXQGVUDOF-UUYOSTAYSA-N 0 0 529.064 7.122 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058846643 554366390 /nfs/dbraw/zinc/36/63/90/554366390.db2.gz XHQGKKPWJSZRDI-PPJWLVRDSA-N 0 0 509.469 6.693 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058846633 554366364 /nfs/dbraw/zinc/36/63/64/554366364.db2.gz VXNJGFKBHMYKJU-UZINWLIJSA-N 0 0 510.015 6.492 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847772 554367037 /nfs/dbraw/zinc/36/70/37/554367037.db2.gz SQIGWSMRKCKQFO-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058848094 554367320 /nfs/dbraw/zinc/36/73/20/554367320.db2.gz JGNXFFFBMSTQEX-VYKTZEHYSA-N 0 0 507.099 7.573 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848161 554367365 /nfs/dbraw/zinc/36/73/65/554367365.db2.gz FJWUPLSLVZQVHD-FYQCMVGJSA-N 0 0 511.043 6.293 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848166 554367659 /nfs/dbraw/zinc/36/76/59/554367659.db2.gz WAIXWGYRZTVOOH-VVZHRXSXSA-N 0 0 509.027 6.062 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848240 554367703 /nfs/dbraw/zinc/36/77/03/554367703.db2.gz CWUXBQCPMJJMOO-UNVFRBQDSA-N 0 0 511.043 6.293 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058848188 554367709 /nfs/dbraw/zinc/36/77/09/554367709.db2.gz SLZIRTZFMFOEGN-VYKTZEHYSA-N 0 0 507.099 7.573 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848340 554367722 /nfs/dbraw/zinc/36/77/22/554367722.db2.gz RGWWIKUQAICAAU-GLDPYIMESA-N 0 0 515.860 6.730 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848350 554367756 /nfs/dbraw/zinc/36/77/56/554367756.db2.gz NRUVBZWCFDTBCQ-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058848467 554368053 /nfs/dbraw/zinc/36/80/53/554368053.db2.gz AGAOJVCOTPLCIC-CEYNDMKZSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058848442 554368124 /nfs/dbraw/zinc/36/81/24/554368124.db2.gz BUGBUHJMGODLCC-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058848675 554368429 /nfs/dbraw/zinc/36/84/29/554368429.db2.gz LPWULYQHMIHRNP-IWVFXYMLSA-N 0 0 502.680 7.010 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c(OC)c1 ZINC000058849281 554368893 /nfs/dbraw/zinc/36/88/93/554368893.db2.gz REBSZSUTISWFAO-GTNJKRJXSA-N 0 0 522.623 5.348 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849561 554368969 /nfs/dbraw/zinc/36/89/69/554368969.db2.gz HESRGXYJYPWDMP-OREGWCPLSA-N 0 0 520.607 5.118 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000058849547 554369161 /nfs/dbraw/zinc/36/91/61/554369161.db2.gz OBUINZJMLGUNOX-BALWLHIASA-N 0 0 522.623 5.348 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1OC ZINC000058849584 554369167 /nfs/dbraw/zinc/36/91/67/554369167.db2.gz KWXRMTGKTFKLGB-ASHZAFPQSA-N 0 0 506.580 5.060 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058850014 554369379 /nfs/dbraw/zinc/36/93/79/554369379.db2.gz XGPVRKRMBZLYMJ-DFIYOIEZSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058849752 554369480 /nfs/dbraw/zinc/36/94/80/554369480.db2.gz BXJVUADXOMWXIT-DFXHWTJYSA-N 0 0 515.462 6.938 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058849772 554369525 /nfs/dbraw/zinc/36/95/25/554369525.db2.gz SUWVGBXGCRXQTP-GTNJKRJXSA-N 0 0 506.624 5.648 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850114 554369760 /nfs/dbraw/zinc/36/97/60/554369760.db2.gz WNQZOCRLYGTYMI-SWFBWHSRSA-N 0 0 510.659 7.254 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850188 554369839 /nfs/dbraw/zinc/36/98/39/554369839.db2.gz OAQANUVHICDIMR-UNVFRBQDSA-N 0 0 509.469 6.639 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3nc4ccc(C)cc4s3)cc2[C@@H]2C=CC[C@@H]21 ZINC000058851210 554369848 /nfs/dbraw/zinc/36/98/48/554369848.db2.gz RXHDOAXWISRMAM-UYXZNNOOSA-N 0 0 503.465 7.869 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000058865933 554370508 /nfs/dbraw/zinc/37/05/08/554370508.db2.gz JERMAVDNDFMZFT-UHFFFAOYSA-N 0 0 507.764 5.444 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000058884214 554371267 /nfs/dbraw/zinc/37/12/67/554371267.db2.gz RXCQWIZCHOCOFE-JWGURIENSA-N 0 0 509.002 5.363 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc(Cl)c1 ZINC000100410428 554375336 /nfs/dbraw/zinc/37/53/36/554375336.db2.gz XKZSLYNSNNLIIN-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059109158 554380863 /nfs/dbraw/zinc/38/08/63/554380863.db2.gz RRFQSMBWUYFBKR-DIBXZPPDSA-N 0 0 519.557 6.407 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000059138813 554382594 /nfs/dbraw/zinc/38/25/94/554382594.db2.gz UZWLOHNUTKJPMU-OVVQPSECSA-N 0 0 523.564 5.821 40 10 KKCBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)c1ccc(O)c(O)c1 ZINC000059417612 554393487 /nfs/dbraw/zinc/39/34/87/554393487.db2.gz ZAUIIZREEFIIBA-UHFFFAOYSA-N 0 0 512.568 5.636 40 10 KKCBRN CCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100483408 554402109 /nfs/dbraw/zinc/40/21/09/554402109.db2.gz XLRWXKSMGITDNA-UHFFFAOYSA-N 0 0 533.119 5.519 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)SC2=S)cc1 ZINC000059609027 554411867 /nfs/dbraw/zinc/41/18/67/554411867.db2.gz BJDPXMFVUHROKA-QRVIBDJDSA-N 0 0 571.474 6.346 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000059609003 554411880 /nfs/dbraw/zinc/41/18/80/554411880.db2.gz CFNAHMDAZWJYBR-UCQKPKSFSA-N 0 0 526.477 6.438 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)SC2=S)cc1 ZINC000059609052 554411909 /nfs/dbraw/zinc/41/19/09/554411909.db2.gz LIGXMWRPOSWSND-QRVIBDJDSA-N 0 0 571.474 6.346 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)SC2=S)cc1 ZINC000059609109 554412170 /nfs/dbraw/zinc/41/21/70/554412170.db2.gz LEHVAPSYGZCACZ-YUMHPJSZSA-N 0 0 576.537 7.591 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000059645996 554416781 /nfs/dbraw/zinc/41/67/81/554416781.db2.gz JHQXNEOEUYYGBN-ATLLOTDBSA-N 0 0 576.274 8.078 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000059690730 554424610 /nfs/dbraw/zinc/42/46/10/554424610.db2.gz BWJYMOXLILHNTI-JLPGSUDCSA-N 0 0 585.582 7.058 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)C2=O)ccc1O ZINC000059690734 554424631 /nfs/dbraw/zinc/42/46/31/554424631.db2.gz JAZPXYDJNYCAKJ-XKZIYDEJSA-N 0 0 574.511 6.316 40 10 KKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100931053 554527133 /nfs/dbraw/zinc/52/71/33/554527133.db2.gz URXGSABCTBZLLV-HYARGMPZSA-N 0 0 501.395 5.513 40 10 KKCBRN CN(C1=NC(=O)/C(=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)S1)c1ccc(O)cc1 ZINC000100972290 554544288 /nfs/dbraw/zinc/54/42/88/554544288.db2.gz GJOZZJNDFYEERA-COEJQBHMSA-N 0 0 528.637 7.019 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000101002195 554552644 /nfs/dbraw/zinc/55/26/44/554552644.db2.gz CGMKEHJVGHAAAQ-PDGQHHTCSA-N 0 0 530.494 5.803 40 10 KKCBRN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCC[C@@H]3CC)C2=O)SC1=S ZINC000101002467 554552905 /nfs/dbraw/zinc/55/29/05/554552905.db2.gz SJHCQBUUCXLONO-RNPVMUPASA-N 0 0 624.920 5.061 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101002599 554553096 /nfs/dbraw/zinc/55/30/96/554553096.db2.gz DMNSMWMARFWEST-JAIQZWGSSA-N 0 0 530.096 5.626 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)c1 ZINC000101002729 554553342 /nfs/dbraw/zinc/55/33/42/554553342.db2.gz OXLHHRTXZUZWAL-STZFKDTASA-N 0 0 577.675 6.381 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)sc2c1CCCC2 ZINC000101002733 554553359 /nfs/dbraw/zinc/55/33/59/554553359.db2.gz PBVLOYTVFJMUPZ-HKWRFOASSA-N 0 0 544.720 5.432 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101003350 554553368 /nfs/dbraw/zinc/55/33/68/554553368.db2.gz BMOSSKNFERVMKL-XDHOZWIPSA-N 0 0 551.612 6.122 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC ZINC000101005578 554553739 /nfs/dbraw/zinc/55/37/39/554553739.db2.gz SLZKWPFHACAIPY-UYRXBGFRSA-N 0 0 521.458 5.086 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1OC ZINC000101005351 554553780 /nfs/dbraw/zinc/55/37/80/554553780.db2.gz BTQQEHUOIWYZDZ-FMQZQXMHSA-N 0 0 517.843 5.504 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1OC ZINC000101005772 554553973 /nfs/dbraw/zinc/55/39/73/554553973.db2.gz ITPROKYZAJUBDX-XHPQRKPJSA-N 0 0 532.687 5.919 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101006597 554554323 /nfs/dbraw/zinc/55/43/23/554554323.db2.gz PFSLZUKDJAHWJR-ONUIUJJFSA-N 0 0 565.185 8.240 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101007031 554554758 /nfs/dbraw/zinc/55/47/58/554554758.db2.gz VGKPKTYWVVEQJD-QRVIBDJDSA-N 0 0 586.160 6.516 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000101007038 554554785 /nfs/dbraw/zinc/55/47/85/554554785.db2.gz OXBOSJHFBFUYBK-HMAPJEAMSA-N 0 0 537.688 5.939 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000101007146 554554949 /nfs/dbraw/zinc/55/49/49/554554949.db2.gz SIPFABRWSQQGIN-QLYXXIJNSA-N 0 0 550.746 5.716 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101007169 554555010 /nfs/dbraw/zinc/55/50/10/554555010.db2.gz UVGJBXPHFKSWLK-KQWNVCNZSA-N 0 0 600.187 6.574 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)s2)c1 ZINC000101007312 554555221 /nfs/dbraw/zinc/55/52/21/554555221.db2.gz OMYAXTGNPVIMGC-KQWNVCNZSA-N 0 0 556.178 7.096 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 ZINC000101007218 554555232 /nfs/dbraw/zinc/55/52/32/554555232.db2.gz HIOKNXDIVPUKEO-HKWRFOASSA-N 0 0 525.677 5.483 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1=O ZINC000101007795 554555861 /nfs/dbraw/zinc/55/58/61/554555861.db2.gz BBJZEFZNSCXXID-BFZGKFGHSA-N 0 0 554.162 6.954 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000101008205 554556330 /nfs/dbraw/zinc/55/63/30/554556330.db2.gz UTURFGUFMNYWNS-KGENOOAVSA-N 0 0 561.676 6.681 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)cc1OC ZINC000101012668 554558526 /nfs/dbraw/zinc/55/85/26/554558526.db2.gz AIRVXLQYBRXQBT-FYJGNVAPSA-N 0 0 520.459 6.715 40 10 KKCBRN CCCCOC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCCCC)cc4)C3=O)SC2=S)cc1 ZINC000101016146 554560155 /nfs/dbraw/zinc/56/01/55/554560155.db2.gz JTXIKYHSIKWYDM-QURGRASLSA-N 0 0 614.792 6.242 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000101076165 554577430 /nfs/dbraw/zinc/57/74/30/554577430.db2.gz MAVJYUGKUNIXSN-ZONZVBGPSA-N 0 0 584.411 6.481 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@H]23)cc1 ZINC000101136816 554651622 /nfs/dbraw/zinc/65/16/22/554651622.db2.gz ZJXSZRZUIHMEJF-UPRLRBBYSA-N 0 0 513.549 5.357 40 10 KKCBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000101342886 554736184 /nfs/dbraw/zinc/73/61/84/554736184.db2.gz SHEWXKYLUKDUKX-LSMIHOHGSA-N 0 0 545.526 5.539 40 10 KKCBRN CCN(CC)C(=S)SCCN(CC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1 ZINC000101462591 554779315 /nfs/dbraw/zinc/77/93/15/554779315.db2.gz UPUDFYGEMOHARH-OCOZRVBESA-N 0 0 603.406 7.721 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590453 554802743 /nfs/dbraw/zinc/80/27/43/554802743.db2.gz HIAZGHOUMKZVTR-JFHPUIQFSA-N 0 0 557.577 6.067 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(C)=O)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000101602311 554804360 /nfs/dbraw/zinc/80/43/60/554804360.db2.gz TZSLOAQZUWNFMG-VCHYOVAHSA-N 0 0 588.876 5.175 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc(I)c1OCC ZINC000101602788 554804491 /nfs/dbraw/zinc/80/44/91/554804491.db2.gz SIAMBODDOANZHP-SFQUDFHCSA-N 0 0 526.421 5.317 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C3\c4ccccc4N(Cc4cccc(Br)c4)C3=O)SC2=S)c1C ZINC000101655242 554819214 /nfs/dbraw/zinc/81/92/14/554819214.db2.gz FBBIDGFGLUOUMT-FCQUAONHSA-N 0 0 535.488 6.389 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000102063270 554873446 /nfs/dbraw/zinc/87/34/46/554873446.db2.gz QKMLZRRUSQKQLB-NJYVYQBISA-N 0 0 525.866 5.054 40 10 KKCBRN CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102191533 554894849 /nfs/dbraw/zinc/89/48/49/554894849.db2.gz CEDPULBHZLIJQM-WRVRXEDSSA-N 0 0 555.649 7.341 40 10 KKCBRN CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102191520 554894867 /nfs/dbraw/zinc/89/48/67/554894867.db2.gz IIDMHVYEWKXTID-WRVRXEDSSA-N 0 0 572.104 7.855 40 10 KKCBRN O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)Oc1ccc(Br)cc1 ZINC000102314194 554910560 /nfs/dbraw/zinc/91/05/60/554910560.db2.gz INNDXYQWMURHDN-QLRFGTIISA-N 0 0 542.648 7.761 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)SC2=S)cc1 ZINC000102445772 554930457 /nfs/dbraw/zinc/93/04/57/554930457.db2.gz IMMLOEXXDAWYGO-OOAXWGSJSA-N 0 0 533.715 7.246 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000102445753 554930530 /nfs/dbraw/zinc/93/05/30/554930530.db2.gz CPVNVUMSEGTOGM-UCQKPKSFSA-N 0 0 544.467 6.972 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000102470977 554936306 /nfs/dbraw/zinc/93/63/06/554936306.db2.gz XXHAYIOIBNYMJL-MTJSOVHGSA-N 0 0 516.522 6.807 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102545494 554959058 /nfs/dbraw/zinc/95/90/58/554959058.db2.gz GMCMRZAATVOCBV-RTOKGZNSSA-N 0 0 573.620 6.468 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102546180 554959320 /nfs/dbraw/zinc/95/93/20/554959320.db2.gz NRYGWLVYVALYTD-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(C)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102547774 554959928 /nfs/dbraw/zinc/95/99/28/554959928.db2.gz NYEVIRDTHGCRLA-RTOKGZNSSA-N 0 0 574.076 7.363 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102869657 555099164 /nfs/dbraw/zinc/09/91/64/555099164.db2.gz RTFOKEKRKGDUTN-YKILCQELSA-N 0 0 555.630 6.329 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102886847 555117605 /nfs/dbraw/zinc/11/76/05/555117605.db2.gz QYQSKAPUHZQMEN-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102887676 555119818 /nfs/dbraw/zinc/11/98/18/555119818.db2.gz ROBGEQOZXICWJR-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102889353 555123500 /nfs/dbraw/zinc/12/35/00/555123500.db2.gz NOYFWFXFCAVOKN-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102889499 555123775 /nfs/dbraw/zinc/12/37/75/555123775.db2.gz SVXFRJIUMYZNLH-MJSOWUPRSA-N 0 0 578.039 7.194 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102889561 555123844 /nfs/dbraw/zinc/12/38/44/555123844.db2.gz WXJRMTAAGUWUDF-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102897135 555137492 /nfs/dbraw/zinc/13/74/92/555137492.db2.gz WISHVNOYJJWSCO-DYIKCSJPSA-N 0 0 564.012 6.804 40 10 KKCBRN CCCc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332887 555360132 /nfs/dbraw/zinc/36/01/32/555360132.db2.gz LGZVEMJNEFQJAH-QJYBTNCXSA-N 0 0 548.683 6.236 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103529547 555429794 /nfs/dbraw/zinc/42/97/94/555429794.db2.gz DORQSEXDDJNFRM-PKTNWEFCSA-N 0 0 547.632 6.082 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103553783 555445120 /nfs/dbraw/zinc/44/51/20/555445120.db2.gz RBVRGBLXCOIQQA-PLJDCMBSSA-N 0 0 581.712 7.600 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000103596623 555453686 /nfs/dbraw/zinc/45/36/86/555453686.db2.gz XIWDRQSYOHKFPH-WDDNMZFKSA-N 0 0 529.453 5.033 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O)N1CCOCC1 ZINC000103606207 555454950 /nfs/dbraw/zinc/45/49/50/555454950.db2.gz MVTDNEXQFLKNTD-BWAHOGKJSA-N 0 0 532.643 5.122 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC ZINC000103760361 555471013 /nfs/dbraw/zinc/47/10/13/555471013.db2.gz FOCYURRWXIYWEF-UHFFFAOYSA-N 0 0 551.462 5.831 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789964 555479579 /nfs/dbraw/zinc/47/95/79/555479579.db2.gz XGKJRSASRWGOOR-NBQDTTAVSA-N 0 0 567.755 5.946 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791432 555481065 /nfs/dbraw/zinc/48/10/65/555481065.db2.gz UEAQWANQXVUHCM-SAGCDJCOSA-N 0 0 561.682 5.874 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791437 555481118 /nfs/dbraw/zinc/48/11/18/555481118.db2.gz UEAQWANQXVUHCM-GSTVVXAASA-N 0 0 561.682 5.874 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103791689 555481316 /nfs/dbraw/zinc/48/13/16/555481316.db2.gz PPUXPJZKZLSLNB-FHQMNNMHSA-N 0 0 588.585 7.095 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000103817171 555482641 /nfs/dbraw/zinc/48/26/41/555482641.db2.gz LACQSLWRQZFHNM-AOFXREQWSA-N 0 0 543.692 5.735 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000103827330 555483431 /nfs/dbraw/zinc/48/34/31/555483431.db2.gz ZBRZUHXAKOKGCT-OBDCIHEFSA-N 0 0 603.716 5.142 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855542 571366002 /nfs/dbraw/zinc/36/60/02/571366002.db2.gz UJCMKPKTAMZWEY-RCCKNPSSSA-N 0 0 606.816 7.163 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000103855308 571366040 /nfs/dbraw/zinc/36/60/40/571366040.db2.gz NTKGDHUAUDNTMN-PCLIKHOPSA-N 0 0 544.438 7.293 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N(C)C1=S ZINC000103856232 571366109 /nfs/dbraw/zinc/36/61/09/571366109.db2.gz XDWLLCAMYFOBAV-UHFFFAOYSA-N 0 0 548.673 5.587 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N(C)C1=S ZINC000103856206 571366158 /nfs/dbraw/zinc/36/61/58/571366158.db2.gz NAARKFJNLYLSGW-UHFFFAOYSA-N 0 0 574.294 5.543 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000103858175 571366505 /nfs/dbraw/zinc/36/65/05/571366505.db2.gz FIDFCYOWWHWFKM-YBFXNURJSA-N 0 0 574.200 5.596 40 10 KKCBRN Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)c1C ZINC000103874306 571368328 /nfs/dbraw/zinc/36/83/28/571368328.db2.gz PRJKTHWFRGOLOW-LICLKQGHSA-N 0 0 531.815 6.130 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103895995 571368822 /nfs/dbraw/zinc/36/88/22/571368822.db2.gz AALXBQVXUBJYNW-UZEJHQAJSA-N 0 0 549.267 8.309 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000103902368 571369014 /nfs/dbraw/zinc/36/90/14/571369014.db2.gz FGKAQHGPBFFNRY-YTZAWJCFSA-N 0 0 531.277 8.170 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104009207 571371059 /nfs/dbraw/zinc/37/10/59/571371059.db2.gz MNIUKVOKVGMRGA-MUPNOLHXSA-N 0 0 607.460 5.968 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000104010806 571371142 /nfs/dbraw/zinc/37/11/42/571371142.db2.gz DPKSVQWZSYDPMD-GSBZAIBZSA-N 0 0 577.036 6.162 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@@H](NC(=O)C2CCCC2)C(Cl)(Cl)Cl)c(C)c1 ZINC000104130465 571374501 /nfs/dbraw/zinc/37/45/01/571374501.db2.gz CSOFNBXBYDLHKF-OTAMKGJRSA-N 0 0 526.921 7.008 40 10 KKCBRN CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[nH]c1N=Nc1ccc(Br)cc1 ZINC000104182370 571376135 /nfs/dbraw/zinc/37/61/35/571376135.db2.gz SXIGKALKFGSRBE-MPCWFZQZSA-N 0 0 519.201 6.444 40 10 KKCBRN CCCCCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3=CC(=NNc4cccc(OC)c4)c4ccccc4C3=O)cc2)cc1 ZINC000104212298 571377002 /nfs/dbraw/zinc/37/70/02/571377002.db2.gz KRQIYWWECCEZCI-NSJNLYRLSA-N 0 0 601.747 10.872 40 10 KKCBRN S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2/N=N\c2ccccc2)N1c1ccc(Cl)cc1 ZINC000104228754 571377500 /nfs/dbraw/zinc/37/75/00/571377500.db2.gz LVJSFEGVNJNPFL-KARKAFJISA-N 0 0 602.970 9.503 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104646190 571381868 /nfs/dbraw/zinc/38/18/68/571381868.db2.gz ICMWXGLANIEJCE-GTNJKRJXSA-N 0 0 567.505 6.929 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104646363 571381904 /nfs/dbraw/zinc/38/19/04/571381904.db2.gz PPMOIANTGYBHIR-ADRXYBOHSA-N 0 0 553.640 6.898 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(F)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646554 571381992 /nfs/dbraw/zinc/38/19/92/571381992.db2.gz BGAHIKGWHGBDKS-WTNLLYQRSA-N 0 0 571.630 6.940 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104646216 571382005 /nfs/dbraw/zinc/38/20/05/571382005.db2.gz KYZUYHMKJCTDMC-NHWZYIIXSA-N 0 0 547.507 8.288 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647214 571382052 /nfs/dbraw/zinc/38/20/52/571382052.db2.gz PVSLOLKAQQWLPQ-OBWXTZQISA-N 0 0 540.299 7.928 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104647169 571382089 /nfs/dbraw/zinc/38/20/89/571382089.db2.gz GNLVGWGZNSVCAV-ATLLOTDBSA-N 0 0 580.331 7.392 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647175 571382099 /nfs/dbraw/zinc/38/20/99/571382099.db2.gz DRDDSVMJZHBTAV-YYULODDRSA-N 0 0 546.432 6.538 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104646901 571382116 /nfs/dbraw/zinc/38/21/16/571382116.db2.gz URMVKHJXYBYSNE-OWWKKJFISA-N 0 0 540.299 7.928 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647332 571382126 /nfs/dbraw/zinc/38/21/26/571382126.db2.gz YHTLSMSFGCFSRM-OREGWCPLSA-N 0 0 529.489 7.408 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647503 571382128 /nfs/dbraw/zinc/38/21/28/571382128.db2.gz RMKGIGZXRHBMPB-WZOHSFFVSA-N 0 0 546.432 6.538 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647426 571382211 /nfs/dbraw/zinc/38/22/11/571382211.db2.gz QTRONUHMYNBKST-UZINWLIJSA-N 0 0 531.461 6.638 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1Cl ZINC000104647899 571382300 /nfs/dbraw/zinc/38/23/00/571382300.db2.gz YEALUPDZAXGLBK-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647861 571382317 /nfs/dbraw/zinc/38/23/17/571382317.db2.gz ADFOCLCYUPUQOA-YUXUKGBOSA-N 0 0 602.112 7.763 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647739 571382343 /nfs/dbraw/zinc/38/23/43/571382343.db2.gz KTFLOLCBLLOSNV-DFXHWTJYSA-N 0 0 573.896 6.767 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648021 571382382 /nfs/dbraw/zinc/38/23/82/571382382.db2.gz RTOFXMXFRJCKQW-YZUZCNPQSA-N 0 0 560.311 6.839 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648311 571382489 /nfs/dbraw/zinc/38/24/89/571382489.db2.gz JTPMEZWQFHDHOP-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648265 571382497 /nfs/dbraw/zinc/38/24/97/571382497.db2.gz YDDMTOFUICXGJH-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648146 571382507 /nfs/dbraw/zinc/38/25/07/571382507.db2.gz JMSCYUVGWSNKMD-WZOHSFFVSA-N 0 0 556.438 5.993 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648122 571382513 /nfs/dbraw/zinc/38/25/13/571382513.db2.gz NUGICOLKIOKKHJ-CLCZQPDDSA-N 0 0 539.495 6.864 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648601 571382617 /nfs/dbraw/zinc/38/26/17/571382617.db2.gz KQWUHKLKXRXNBE-XLNZFTOWSA-N 0 0 583.857 7.749 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000104648568 571382625 /nfs/dbraw/zinc/38/26/25/571382625.db2.gz HOSHKORDRVSXHQ-XLNZFTOWSA-N 0 0 539.406 7.640 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648501 571382654 /nfs/dbraw/zinc/38/26/54/571382654.db2.gz UDYWJTQMEGEONW-SXDGJLEOSA-N 0 0 558.622 7.130 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648579 571382656 /nfs/dbraw/zinc/38/26/56/571382656.db2.gz PIXPIOKXBDBDKW-OBWXTZQISA-N 0 0 573.851 8.293 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648607 571382682 /nfs/dbraw/zinc/38/26/82/571382682.db2.gz SBMLHDWWERFKNN-XLNZFTOWSA-N 0 0 583.857 7.749 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648738 571382695 /nfs/dbraw/zinc/38/26/95/571382695.db2.gz LUDIYWGVJQGYNC-YYULODDRSA-N 0 0 548.970 6.715 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104649302 571382755 /nfs/dbraw/zinc/38/27/55/571382755.db2.gz DRPFJOSUEPBBFY-PYYUSEHKSA-N 0 0 554.668 7.123 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000104648854 571382759 /nfs/dbraw/zinc/38/27/59/571382759.db2.gz KKYLGDUZUDKMCG-PPJWLVRDSA-N 0 0 525.468 6.475 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649083 571382864 /nfs/dbraw/zinc/38/28/64/571382864.db2.gz SCVBZAYNPJWCOH-LZCXECNNSA-N 0 0 525.468 6.475 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649725 571383038 /nfs/dbraw/zinc/38/30/38/571383038.db2.gz XZHBYZMPLJRLEL-DDFCPOBKSA-N 0 0 550.677 6.129 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1OC ZINC000104649738 571383056 /nfs/dbraw/zinc/38/30/56/571383056.db2.gz MIVRTUCXDGXAGN-QSOCVKKASA-N 0 0 613.692 6.818 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104650228 571383088 /nfs/dbraw/zinc/38/30/88/571383088.db2.gz GUACDODTFXCRTC-GTNJKRJXSA-N 0 0 521.469 7.774 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2[C@H]2C=CC[C@H]21 ZINC000104650151 571383153 /nfs/dbraw/zinc/38/31/53/571383153.db2.gz UEMMHBBNEIOOML-DFIYOIEZSA-N 0 0 556.438 5.993 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000104650084 571383207 /nfs/dbraw/zinc/38/32/07/571383207.db2.gz CZDXMMNQUZBYPI-XLNZFTOWSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650423 571383252 /nfs/dbraw/zinc/38/32/52/571383252.db2.gz DQIPJGYPXOVGDB-DXMSMQRWSA-N 0 0 523.844 7.413 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000104655513 571383635 /nfs/dbraw/zinc/38/36/35/571383635.db2.gz OWLMXRAPXIGHJM-YNMQQHPQSA-N 0 0 572.528 5.156 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000104658612 571384688 /nfs/dbraw/zinc/38/46/88/571384688.db2.gz OGDSZTSSPWYKGM-HVDVVURSSA-N 0 0 551.712 5.182 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000104677210 571385322 /nfs/dbraw/zinc/38/53/22/571385322.db2.gz LCTISVKUJCAKSV-DDBFQISPSA-N 0 0 575.775 5.557 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N(C)C1=O ZINC000105496348 571405077 /nfs/dbraw/zinc/40/50/77/571405077.db2.gz SOMPSSPHPIDFNV-UHFFFAOYSA-N 0 0 558.226 5.378 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497606 571405575 /nfs/dbraw/zinc/40/55/75/571405575.db2.gz JCHYWSIBTRKAPQ-ZSXMQSLNSA-N 0 0 633.770 5.890 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499271 571406104 /nfs/dbraw/zinc/40/61/04/571406104.db2.gz JUTPXZHULGPZBT-AZJUONQGSA-N 0 0 619.812 6.595 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000105500199 571406441 /nfs/dbraw/zinc/40/64/41/571406441.db2.gz PYJVQFNGUJLJOG-CTHKJOMYSA-N 0 0 595.696 5.507 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000105660521 571408187 /nfs/dbraw/zinc/40/81/87/571408187.db2.gz GXUYAMXUOJBGRV-IWEBCOIVSA-N 0 0 510.464 5.961 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000222894627 571410706 /nfs/dbraw/zinc/41/07/06/571410706.db2.gz IBLQQWWVFDLLBP-NDEPHWFRSA-N 0 0 535.710 5.103 40 10 KKCBRN CCOc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000106663241 571413330 /nfs/dbraw/zinc/41/33/30/571413330.db2.gz IJMNRJKKVZBPOH-UHFFFAOYSA-N 0 0 584.435 5.447 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106681486 571413410 /nfs/dbraw/zinc/41/34/10/571413410.db2.gz OEXPQZHTODUFPF-YSMPRRRNSA-N 0 0 551.068 6.883 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000106683071 571413536 /nfs/dbraw/zinc/41/35/36/571413536.db2.gz XPWYRPVEDXKWCO-MTJSOVHGSA-N 0 0 501.833 6.747 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000106716353 571415453 /nfs/dbraw/zinc/41/54/53/571415453.db2.gz VCACGXSQBFPFHI-MYYYXRDXSA-N 0 0 557.499 7.594 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106716301 571415477 /nfs/dbraw/zinc/41/54/77/571415477.db2.gz WPAOJWLSINMCBM-MYYYXRDXSA-N 0 0 542.488 6.474 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106723462 571416008 /nfs/dbraw/zinc/41/60/08/571416008.db2.gz ASLQZFJEEKKYMG-FBHDLOMBSA-N 0 0 536.278 7.400 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccc(Br)cc5)C4=O)c3C)cc2)cc1 ZINC000106725674 571416387 /nfs/dbraw/zinc/41/63/87/571416387.db2.gz IIBNBKMPNXOYRY-QRQIAZFYSA-N 0 0 589.511 7.894 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106732229 571416529 /nfs/dbraw/zinc/41/65/29/571416529.db2.gz ZRZXIRQRRLXBKF-UUYOSTAYSA-N 0 0 560.311 7.164 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000107837451 571421245 /nfs/dbraw/zinc/42/12/45/571421245.db2.gz JSEWYJKVURNRDA-UHFFFAOYSA-N 0 0 584.697 7.566 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Br ZINC000223097716 571430663 /nfs/dbraw/zinc/43/06/63/571430663.db2.gz UJJNEJPTPBESOE-RPBOFIJWSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1Cl ZINC000112231073 571434132 /nfs/dbraw/zinc/43/41/32/571434132.db2.gz LYGSEIWMHWSICK-SDNWHVSQSA-N 0 0 535.452 7.319 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OC ZINC000113831271 571442565 /nfs/dbraw/zinc/44/25/65/571442565.db2.gz OUCCADKONJMXTQ-LFIBNONCSA-N 0 0 503.427 5.232 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 ZINC000113830886 571442367 /nfs/dbraw/zinc/44/23/67/571442367.db2.gz TUMLTVCFRCLOOU-HAVVHWLPSA-N 0 0 556.503 6.711 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)SC2=S)cc1 ZINC000113833642 571442613 /nfs/dbraw/zinc/44/26/13/571442613.db2.gz VLDABUNHJZAQMC-WGOQTCKBSA-N 0 0 562.510 7.596 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833550 571442632 /nfs/dbraw/zinc/44/26/32/571442632.db2.gz CSHJXMDPZMSFPK-FSJBWODESA-N 0 0 584.468 8.396 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000113833625 571442637 /nfs/dbraw/zinc/44/26/37/571442637.db2.gz NKFBNVUVVKSNGN-WGOQTCKBSA-N 0 0 528.611 6.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113834173 571442732 /nfs/dbraw/zinc/44/27/32/571442732.db2.gz ZYYBVNJKWYMNHS-WSDLNYQXSA-N 0 0 546.548 6.607 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113838430 571442859 /nfs/dbraw/zinc/44/28/59/571442859.db2.gz PYDGDSNJTILSTI-FOKLQQMPSA-N 0 0 540.453 7.310 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000113838406 571442918 /nfs/dbraw/zinc/44/29/18/571442918.db2.gz BNPKWBGXPHEGGT-ZMOGYAJESA-N 0 0 509.483 7.711 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1C1CCCCC1 ZINC000113838141 571442922 /nfs/dbraw/zinc/44/29/22/571442922.db2.gz GIAIWLZFBUUXQY-YDZHTSKRSA-N 0 0 501.504 7.530 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190580 571443111 /nfs/dbraw/zinc/44/31/11/571443111.db2.gz OMUIZGXYKPVGGC-RRPNLBNLSA-N 0 0 524.134 5.146 40 10 KKCBRN CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CC(=O)C(=O)c4ccccc4)CC[C@H]3[C@H]12 ZINC000118925936 571447027 /nfs/dbraw/zinc/44/70/27/571447027.db2.gz XVYPUPYMYWLUHE-LQOCSKQZSA-N 0 0 608.772 6.138 40 10 KKCBRN CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CC(=O)C(=O)c4ccccc4)CC[C@H]3[C@H]12 ZINC000118925945 571447060 /nfs/dbraw/zinc/44/70/60/571447060.db2.gz XVYPUPYMYWLUHE-FMERAYNMSA-N 0 0 608.772 6.138 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000144218139 571456322 /nfs/dbraw/zinc/45/63/22/571456322.db2.gz CEZZJFVJVXDONS-FYJGNVAPSA-N 0 0 514.388 6.248 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000144207928 571456329 /nfs/dbraw/zinc/45/63/29/571456329.db2.gz BNKLWIDSZZXBQL-DEDYPNTBSA-N 0 0 500.361 5.940 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000223310032 571458879 /nfs/dbraw/zinc/45/88/79/571458879.db2.gz LQTIHAIMVIIDEN-NKKJXINNSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000223310093 571458890 /nfs/dbraw/zinc/45/88/90/571458890.db2.gz LQTIHAIMVIIDEN-OYDLWJJNSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000223310228 571459042 /nfs/dbraw/zinc/45/90/42/571459042.db2.gz YCSWMEASNRMIPW-NKKJXINNSA-N 0 0 511.489 5.403 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223311966 571459161 /nfs/dbraw/zinc/45/91/61/571459161.db2.gz SEZHOYUJKJCKBY-HNPKZYAISA-N 0 0 503.716 5.487 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223312257 571459277 /nfs/dbraw/zinc/45/92/77/571459277.db2.gz HVOPPSOHSSWQET-YRUKQIKQSA-N 0 0 501.483 5.947 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000223327022 571461027 /nfs/dbraw/zinc/46/10/27/571461027.db2.gz KHKHYDBONTVHIP-UHFFFAOYSA-N 0 0 500.064 5.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000223346839 571463779 /nfs/dbraw/zinc/46/37/79/571463779.db2.gz XVZHWLATLWLQAP-ZEQRLZLVSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c([N+](=O)[O-])c1 ZINC000223351738 571464509 /nfs/dbraw/zinc/46/45/09/571464509.db2.gz ORDZXHDFUHUUKO-DQEYMECFSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223351443 571464522 /nfs/dbraw/zinc/46/45/22/571464522.db2.gz IMIWASOKAJELMJ-LOSJGSFVSA-N 0 0 503.584 5.172 40 10 KKCBRN Brc1cc(Br)c(/N=N\c2c(Br)cc(Br)cc2Br)c(Br)c1 ZINC000150366015 571464655 /nfs/dbraw/zinc/46/46/55/571464655.db2.gz KJKRSCLLAYRBIS-VXPUYCOJSA-N 0 0 655.602 8.677 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C ZINC000150365847 571464673 /nfs/dbraw/zinc/46/46/73/571464673.db2.gz IAFBRPFISOTXSO-KZFHPFMWSA-N 0 0 685.612 9.254 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000150370768 571465737 /nfs/dbraw/zinc/46/57/37/571465737.db2.gz WWIMDHZIAXMWRE-MFKUBSTISA-N 0 0 625.407 8.345 40 10 KKCBRN CCOC(=O)c1c(NC(=O)c2ccc(C(=O)Nc3sc(-c4ccccc4)c(-c4ccccc4)c3C(=O)OCC)cc2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000150380916 571466885 /nfs/dbraw/zinc/46/68/85/571466885.db2.gz SQXVIYNJHAVQQM-UHFFFAOYSA-N 0 0 776.936 11.336 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223371411 571466994 /nfs/dbraw/zinc/46/69/94/571466994.db2.gz JWWSIJYUKQAILW-IZZNHLLZSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223382961 571468829 /nfs/dbraw/zinc/46/88/29/571468829.db2.gz PHBFDUMJCZUTJL-UIOOFZCWSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3O)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000150387477 571470113 /nfs/dbraw/zinc/47/01/13/571470113.db2.gz RNRCZNAALDEARG-HYARGMPZSA-N 0 0 700.270 6.646 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223410125 571472655 /nfs/dbraw/zinc/47/26/55/571472655.db2.gz LYRQKHRXZWDFCF-KAYWLYCHSA-N 0 0 536.623 6.689 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223410343 571472672 /nfs/dbraw/zinc/47/26/72/571472672.db2.gz DPLXGFDMONFWEN-FIRIVFDPSA-N 0 0 553.732 5.507 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150390808 571473080 /nfs/dbraw/zinc/47/30/80/571473080.db2.gz MYFBCZCYSRVCHB-SELCLYCASA-N 0 0 645.612 6.174 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223419787 571473837 /nfs/dbraw/zinc/47/38/37/571473837.db2.gz FGDKCLGNKYOUCC-KAYWLYCHSA-N 0 0 536.623 6.689 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424275 571474529 /nfs/dbraw/zinc/47/45/29/571474529.db2.gz VPLHUDQUKWYJEZ-JSOSNVBQSA-N 0 0 539.749 6.517 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223426324 571474872 /nfs/dbraw/zinc/47/48/72/571474872.db2.gz PNKUFHWICAHGEA-MFMCTBQISA-N 0 0 510.707 6.596 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223426838 571474910 /nfs/dbraw/zinc/47/49/10/571474910.db2.gz QPOCNPCCIUFCNQ-WUFINQPMSA-N 0 0 543.649 5.587 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223427046 571474948 /nfs/dbraw/zinc/47/49/48/571474948.db2.gz FFNDMDHDSITTRZ-IZLXSDGUSA-N 0 0 543.649 5.587 40 10 KKCBRN CC[C@@H](C)NC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)N[C@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000150399497 571477648 /nfs/dbraw/zinc/47/76/48/571477648.db2.gz FTMKWSMQJIEZHS-IGOBUMEPSA-N 0 0 640.878 5.242 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223444728 571477676 /nfs/dbraw/zinc/47/76/76/571477676.db2.gz WQWAKERBEVUMAK-VSGBNLITSA-N 0 0 526.662 5.457 40 10 KKCBRN CCCN(CCC)C(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)N(CCC)CCC)c4)C3=O)SC2=S)c1 ZINC000150400335 571477901 /nfs/dbraw/zinc/47/79/01/571477901.db2.gz DNTWYKFHYAKRGH-OCEACIFDSA-N 0 0 668.932 6.852 40 10 KKCBRN S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2/N=N/c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000150405841 571479389 /nfs/dbraw/zinc/47/93/89/571479389.db2.gz BGJGIMZQNSOTPZ-JEIPZWNWSA-N 0 0 637.415 10.156 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223458930 571479697 /nfs/dbraw/zinc/47/96/97/571479697.db2.gz AUFQKOCNAKKQQA-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224121337 571480381 /nfs/dbraw/zinc/48/03/81/571480381.db2.gz RPEBLUQOYCRKJG-DPFRZXKGSA-N 0 0 571.194 7.197 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224121290 571480395 /nfs/dbraw/zinc/48/03/95/571480395.db2.gz RPEBLUQOYCRKJG-LZFLVSJNSA-N 0 0 571.194 7.197 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224123605 571480834 /nfs/dbraw/zinc/48/08/34/571480834.db2.gz OBNBZSSLZQAVTP-WFHUPMPSSA-N 0 0 620.650 8.161 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467356 571481613 /nfs/dbraw/zinc/48/16/13/571481613.db2.gz FSEAHYSGLKGUIV-UIOOFZCWSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224128297 571481973 /nfs/dbraw/zinc/48/19/73/571481973.db2.gz WZFASQQZJUXJHI-OTWWGAIPSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224129231 571482172 /nfs/dbraw/zinc/48/21/72/571482172.db2.gz ROQSMTCVYWHLSL-WTEHXLFCSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224129666 571482412 /nfs/dbraw/zinc/48/24/12/571482412.db2.gz ZEYXAAJQEFTUQO-BAVULBIOSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224130248 571482493 /nfs/dbraw/zinc/48/24/93/571482493.db2.gz LWFCJIHVNVMSPL-BAVULBIOSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224131773 571482828 /nfs/dbraw/zinc/48/28/28/571482828.db2.gz WXSNEIOQYBPBAR-HYEYWOLSSA-N 0 0 600.232 7.811 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1SC(=S)N(N=c2[nH]c3ccccc3s2)C1=O)Nc1ccccc1C(F)(F)F ZINC000150410596 571483016 /nfs/dbraw/zinc/48/30/16/571483016.db2.gz JWWYDYMKPYFZBV-MTJSOVHGSA-N 0 0 665.538 7.323 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224133064 571483186 /nfs/dbraw/zinc/48/31/86/571483186.db2.gz JBXLZHOAKOBGNJ-NSJAGVOXSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224133656 571483308 /nfs/dbraw/zinc/48/33/08/571483308.db2.gz LVCYGEKLCRNXNB-HAVXGESDSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224133555 571483320 /nfs/dbraw/zinc/48/33/20/571483320.db2.gz WMBQEASUZVILEW-BDQLSBHJSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224134998 571483480 /nfs/dbraw/zinc/48/34/80/571483480.db2.gz IVCDCTNRRCANGH-YWCASELZSA-N 0 0 618.678 8.764 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135852 571483846 /nfs/dbraw/zinc/48/38/46/571483846.db2.gz WBCHKMNVQBLXRJ-ZJDQVSPWSA-N 0 0 612.287 8.673 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224136405 571483921 /nfs/dbraw/zinc/48/39/21/571483921.db2.gz QJQCGTXIIPNJCW-KVDDGJCQSA-N 0 0 585.221 7.505 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000150416267 571485799 /nfs/dbraw/zinc/48/57/99/571485799.db2.gz NWNWUDQWTKBWNX-QVIHXGFCSA-N 0 0 807.108 8.564 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224148865 571486390 /nfs/dbraw/zinc/48/63/90/571486390.db2.gz XUDVFMNTUBMCFE-LKPJLLJWSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1C ZINC000223495359 571486764 /nfs/dbraw/zinc/48/67/64/571486764.db2.gz PPKRHZPBPQHMNA-QFEZKATASA-N 0 0 503.668 6.389 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Br)c1 ZINC000223497511 571487052 /nfs/dbraw/zinc/48/70/52/571487052.db2.gz QLKAQTMMHFYVOT-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Br ZINC000223497205 571487179 /nfs/dbraw/zinc/48/71/79/571487179.db2.gz NCJZMTMSOHPCMG-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Br)cc1 ZINC000223497756 571487296 /nfs/dbraw/zinc/48/72/96/571487296.db2.gz RLJHCXYIVSAYND-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000150424826 571489334 /nfs/dbraw/zinc/48/93/34/571489334.db2.gz ZIBPLURNTUTVIN-VUTHCHCSSA-N 0 0 695.997 9.125 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000150424761 571489373 /nfs/dbraw/zinc/48/93/73/571489373.db2.gz JSPOZPUSHQONBV-AJBULDERSA-N 0 0 675.579 8.780 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223519936 571492679 /nfs/dbraw/zinc/49/26/79/571492679.db2.gz PYKMLRNTDCBRKY-CFRMEGHHSA-N 0 0 507.631 6.219 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1 ZINC000223520737 571492795 /nfs/dbraw/zinc/49/27/95/571492795.db2.gz HRWNIXZUYVEIPQ-YSMPRRRNSA-N 0 0 533.694 6.479 40 10 KKCBRN Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)NN(c1nc3ccccc3s1)C2=O ZINC000150433038 571494552 /nfs/dbraw/zinc/49/45/52/571494552.db2.gz CICQTGKGTNFTLK-GDLZYMKVSA-N 0 0 643.556 6.642 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000150435385 571495443 /nfs/dbraw/zinc/49/54/43/571495443.db2.gz UCHBZJSAKVKVLR-OEAKJJBVSA-N 0 0 621.493 6.822 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(C2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)CC1 ZINC000150436637 571496353 /nfs/dbraw/zinc/49/63/53/571496353.db2.gz ULTSLUXCNZPQFZ-UYMKXGBOSA-N 0 0 670.238 5.825 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150436676 571496486 /nfs/dbraw/zinc/49/64/86/571496486.db2.gz QNWSNDJQBMOQHY-OCKHKDLRSA-N 0 0 691.261 7.103 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224207755 571496919 /nfs/dbraw/zinc/49/69/19/571496919.db2.gz XJOIDJPPXAJGNZ-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150447658 571501555 /nfs/dbraw/zinc/50/15/55/571501555.db2.gz WKLAJOSLQWMOON-LQAAPGBJSA-N 0 0 750.050 5.617 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c(C)c1 ZINC000223567536 571503696 /nfs/dbraw/zinc/50/36/96/571503696.db2.gz FOMXCBYVEWUROE-PUDRWSQFSA-N 0 0 505.684 6.479 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223567828 571503855 /nfs/dbraw/zinc/50/38/55/571503855.db2.gz CVYZDRPRGLFUTB-MGKUZBKYSA-N 0 0 521.683 6.261 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)CC1 ZINC000150454428 571503965 /nfs/dbraw/zinc/50/39/65/571503965.db2.gz FNDSUACHWDNKNP-PKLVEVKMSA-N 0 0 702.949 5.743 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240579 571504531 /nfs/dbraw/zinc/50/45/31/571504531.db2.gz DQEMOZZKDDUXJX-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223585168 571507890 /nfs/dbraw/zinc/50/78/90/571507890.db2.gz XDZXHVQMODDABN-ICODJCHTSA-N 0 0 513.501 7.106 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)SC1=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000150469597 571508728 /nfs/dbraw/zinc/50/87/28/571508728.db2.gz YJSLBVWZDWKGJN-QURGRASLSA-N 0 0 789.654 8.101 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150469592 571508869 /nfs/dbraw/zinc/50/88/69/571508869.db2.gz MIPNMBQBGMFJLE-QURGRASLSA-N 0 0 720.764 6.794 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000150469984 571508916 /nfs/dbraw/zinc/50/89/16/571508916.db2.gz ALNNBTMTWXBLBY-OCEACIFDSA-N 0 0 778.658 8.930 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224262343 571508983 /nfs/dbraw/zinc/50/89/83/571508983.db2.gz PFVKGBVVZHJARE-SVBPBHIXSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224262290 571509033 /nfs/dbraw/zinc/50/90/33/571509033.db2.gz PFVKGBVVZHJARE-RRPNLBNLSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C4\SC(=S)N(CCCC(=O)Nc5ncc(Cc6cccc(C)c6)s5)C4=O)SC3=S)s2)c1 ZINC000150469781 571509044 /nfs/dbraw/zinc/50/90/44/571509044.db2.gz ZTJIAMMDKMGZGU-QVIHXGFCSA-N 0 0 807.108 7.468 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000150470182 571509170 /nfs/dbraw/zinc/50/91/70/571509170.db2.gz PAFWNMLBBURPRM-QNEJGDQOSA-N 0 0 904.052 9.718 40 10 KKCBRN CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCC[C@H]3CC)C2=O)SC1=S ZINC000150470110 571509196 /nfs/dbraw/zinc/50/91/96/571509196.db2.gz FLDVHNDTWYIDOY-AYGGUXEWSA-N 0 0 681.028 6.622 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224265302 571509636 /nfs/dbraw/zinc/50/96/36/571509636.db2.gz YFDPZAHAPSFXDX-JSOSNVBQSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224268497 571510292 /nfs/dbraw/zinc/51/02/92/571510292.db2.gz QXDDNUORJRUCEO-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224271108 571510638 /nfs/dbraw/zinc/51/06/38/571510638.db2.gz QHVDZSIIOCCBNR-SVBPBHIXSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150481081 571512273 /nfs/dbraw/zinc/51/22/73/571512273.db2.gz MEBRPZCFPLGDER-RDRPBHBLSA-N 0 0 728.970 8.577 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000150481159 571512421 /nfs/dbraw/zinc/51/24/21/571512421.db2.gz BQCIFPFEQYLNMN-NDZAJKAJSA-N 0 0 708.552 8.232 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224286204 571513692 /nfs/dbraw/zinc/51/36/92/571513692.db2.gz XTBUJFYLIJORHM-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224290266 571514461 /nfs/dbraw/zinc/51/44/61/571514461.db2.gz SGBSIPUQGQZNTA-KAYWLYCHSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224299748 571516881 /nfs/dbraw/zinc/51/68/81/571516881.db2.gz GOGIECUJPCSQHY-RRPNLBNLSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224304611 571517896 /nfs/dbraw/zinc/51/78/96/571517896.db2.gz UIMUHCBDJVYICI-KAYWLYCHSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224306824 571518553 /nfs/dbraw/zinc/51/85/53/571518553.db2.gz GMAMEZPHUCLKQW-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223650912 571520851 /nfs/dbraw/zinc/52/08/51/571520851.db2.gz XNBOUOHNDAMXNB-XZOQPEGZSA-N 0 0 502.562 5.044 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150570734 571521379 /nfs/dbraw/zinc/52/13/79/571521379.db2.gz KGPBBDGTRNMROS-UDHMSBBDSA-N 0 0 677.739 5.998 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000224325340 571522248 /nfs/dbraw/zinc/52/22/48/571522248.db2.gz WHPNLSQAGOMSMW-RRPNLBNLSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000224338475 571525365 /nfs/dbraw/zinc/52/53/65/571525365.db2.gz DZBLILKTAKLYIB-SVBPBHIXSA-N 0 0 521.517 7.535 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(Br)c4)c3C)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150652409 571525620 /nfs/dbraw/zinc/52/56/20/571525620.db2.gz SEZHOFSLRXVYTD-GKTKDVHMSA-N 0 0 649.567 5.493 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(Br)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150652405 571525638 /nfs/dbraw/zinc/52/56/38/571525638.db2.gz SEZHOFSLRXVYTD-WQNUKSJVSA-N 0 0 649.567 5.493 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223687562 571526919 /nfs/dbraw/zinc/52/69/19/571526919.db2.gz WDPVVWAVUJGLQX-DHIUTWEWSA-N 0 0 502.562 5.044 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223691709 571527926 /nfs/dbraw/zinc/52/79/26/571527926.db2.gz IWGIBQGLTJPPKJ-GOTSBHOMSA-N 0 0 503.455 5.332 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223692071 571528068 /nfs/dbraw/zinc/52/80/68/571528068.db2.gz RLYNPLHBZBUQHV-DHIUTWEWSA-N 0 0 503.455 5.332 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224357720 571529252 /nfs/dbraw/zinc/52/92/52/571529252.db2.gz DAUQJXYLVZUWCQ-VSGBNLITSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224370299 571531741 /nfs/dbraw/zinc/53/17/41/571531741.db2.gz AZKMXIQFWQGBCU-KYJUHHDHSA-N 0 0 509.723 6.856 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224370248 571531796 /nfs/dbraw/zinc/53/17/96/571531796.db2.gz AZKMXIQFWQGBCU-XZWHSSHBSA-N 0 0 509.723 6.856 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224371837 571532211 /nfs/dbraw/zinc/53/22/11/571532211.db2.gz PDTMBEXOWMJZFY-BVRKHOPBSA-N 0 0 508.735 7.715 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224371957 571532309 /nfs/dbraw/zinc/53/23/09/571532309.db2.gz PDTMBEXOWMJZFY-SMCANUKXSA-N 0 0 508.735 7.715 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224372971 571532582 /nfs/dbraw/zinc/53/25/82/571532582.db2.gz QOMRLGYNHKICHB-FQLXRVMXSA-N 0 0 531.125 7.452 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223721709 571532641 /nfs/dbraw/zinc/53/26/41/571532641.db2.gz ZNNJHDOEGCVLDB-DNQXCXABSA-N 0 0 516.589 5.434 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000163232014 571533705 /nfs/dbraw/zinc/53/37/05/571533705.db2.gz RCCRCNMLJZKMKE-NBQDTTAVSA-N 0 0 718.458 7.093 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000163232898 571533871 /nfs/dbraw/zinc/53/38/71/571533871.db2.gz FKFTVGHLUMOBFR-MRWVFDTMSA-N 0 0 637.559 6.397 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163282455 571534776 /nfs/dbraw/zinc/53/47/76/571534776.db2.gz DKXFKJFYHMRFDD-UDHMSBBDSA-N 0 0 652.614 6.506 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224385900 571535493 /nfs/dbraw/zinc/53/54/93/571535493.db2.gz KLIKLTJPRIGEEY-VMPREFPWSA-N 0 0 524.690 6.576 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224390039 571536217 /nfs/dbraw/zinc/53/62/17/571536217.db2.gz OHXVMVWENTUSHN-VMPREFPWSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224400667 571538043 /nfs/dbraw/zinc/53/80/43/571538043.db2.gz BPGLHQMBKKZMLT-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224400712 571538060 /nfs/dbraw/zinc/53/80/60/571538060.db2.gz BPGLHQMBKKZMLT-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223760429 571539570 /nfs/dbraw/zinc/53/95/70/571539570.db2.gz VIGHUDMSHRLFHL-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223760546 571539707 /nfs/dbraw/zinc/53/97/07/571539707.db2.gz VIGHUDMSHRLFHL-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223760869 571539747 /nfs/dbraw/zinc/53/97/47/571539747.db2.gz MNRZIJBWHNGOCF-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223767173 571540907 /nfs/dbraw/zinc/54/09/07/571540907.db2.gz WWCXHJDGEUJEMX-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163720625 571541681 /nfs/dbraw/zinc/54/16/81/571541681.db2.gz QNDAQMSKAMDHEP-YRSDHNRQSA-N 0 0 780.366 7.275 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1 ZINC000224417138 571541733 /nfs/dbraw/zinc/54/17/33/571541733.db2.gz KPGQQASWHXPLRC-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc(C)cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163725703 571541800 /nfs/dbraw/zinc/54/18/00/571541800.db2.gz MYNJXEAGVOJQFB-FOVFMYGESA-N 0 0 678.858 7.297 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223791148 571544682 /nfs/dbraw/zinc/54/46/82/571544682.db2.gz XFAMQTRCGDHRJP-RRPNLBNLSA-N 0 0 519.070 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224435957 571545465 /nfs/dbraw/zinc/54/54/65/571545465.db2.gz GVBUCJGJFBDKRI-DQEYMECFSA-N 0 0 511.453 7.112 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223796019 571545529 /nfs/dbraw/zinc/54/55/29/571545529.db2.gz BQPDRZJCAXKAHY-RRPNLBNLSA-N 0 0 536.623 7.084 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223797306 571545658 /nfs/dbraw/zinc/54/56/58/571545658.db2.gz NOKUBPMYAHMZKQ-SVBPBHIXSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223798178 571545889 /nfs/dbraw/zinc/54/58/89/571545889.db2.gz FPFBNBXFAZPXMS-KAYWLYCHSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223798497 571546002 /nfs/dbraw/zinc/54/60/02/571546002.db2.gz FQVGYCWHXHLTNZ-SVBPBHIXSA-N 0 0 547.522 6.827 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc(Cl)c5Cl)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164468108 571548631 /nfs/dbraw/zinc/54/86/31/571548631.db2.gz YJZWLXBIYCCAEM-NVDQFQLTSA-N 0 0 622.530 8.108 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(Br)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164472123 571548687 /nfs/dbraw/zinc/54/86/87/571548687.db2.gz LGBMTZPISGOHOZ-WTNLLYQRSA-N 0 0 632.536 7.564 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000164517986 571549012 /nfs/dbraw/zinc/54/90/12/571549012.db2.gz NTLKYDDKILXQSN-CBPRFPNYSA-N 0 0 685.587 5.948 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21 ZINC000224455979 571550087 /nfs/dbraw/zinc/55/00/87/571550087.db2.gz LKIMJHQFNJLDRA-JWQCQUIFSA-N 0 0 509.506 7.197 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164805541 571551139 /nfs/dbraw/zinc/55/11/39/571551139.db2.gz CENIADAMGLQESD-UHFFFAOYSA-N 0 0 727.382 8.386 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164809574 571551315 /nfs/dbraw/zinc/55/13/15/571551315.db2.gz RJFCVXWUVCNOEU-UHFFFAOYSA-N 0 0 670.516 7.535 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164807208 571551328 /nfs/dbraw/zinc/55/13/28/571551328.db2.gz DZDAILDBTFYGMZ-UHFFFAOYSA-N 0 0 694.409 8.934 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224465422 571552271 /nfs/dbraw/zinc/55/22/71/571552271.db2.gz IJSAHNSJOXVWKT-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469230 571553130 /nfs/dbraw/zinc/55/31/30/571553130.db2.gz TWROYSRQMMRLDM-FTJBHMTQSA-N 0 0 534.041 6.236 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224469528 571553296 /nfs/dbraw/zinc/55/32/96/571553296.db2.gz MTIVDGDQFKVHTQ-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470066 571553352 /nfs/dbraw/zinc/55/33/52/571553352.db2.gz DIEOTKWIONABRQ-CLJLJLNGSA-N 0 0 534.041 6.236 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223821944 571556116 /nfs/dbraw/zinc/55/61/16/571556116.db2.gz XGVVRDQDUUWONJ-VSGBNLITSA-N 0 0 512.635 5.794 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1 ZINC000224481466 571556213 /nfs/dbraw/zinc/55/62/13/571556213.db2.gz PEYCEJFXESWJNC-IZZNHLLZSA-N 0 0 517.054 6.106 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169680814 571556915 /nfs/dbraw/zinc/55/69/15/571556915.db2.gz LYLVDEMZOFKAJX-SDHSZQHLSA-N 0 0 507.929 5.188 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccn1 ZINC000224487617 571557970 /nfs/dbraw/zinc/55/79/70/571557970.db2.gz AMOMBUAJHMLVGW-DNQXCXABSA-N 0 0 504.457 5.824 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Oc5ccc(Cl)cc5)cc4)C(=O)[C@@H]23)cc1 ZINC000169684684 571558316 /nfs/dbraw/zinc/55/83/16/571558316.db2.gz ZIVSOIYCCBEZCJ-JCYYIGJDSA-N 0 0 563.993 6.136 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169687413 571558399 /nfs/dbraw/zinc/55/83/99/571558399.db2.gz YCHLDQUWABZTKE-NJDAHSKKSA-N 0 0 526.759 5.342 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224493214 571559490 /nfs/dbraw/zinc/55/94/90/571559490.db2.gz YSKNWYQALBNBLI-VMPREFPWSA-N 0 0 553.529 7.582 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224493071 571559503 /nfs/dbraw/zinc/55/95/03/571559503.db2.gz YSKNWYQALBNBLI-FQLXRVMXSA-N 0 0 553.529 7.582 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C ZINC000224493891 571559574 /nfs/dbraw/zinc/55/95/74/571559574.db2.gz ADKSWPDGXSLKMD-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224494410 571559714 /nfs/dbraw/zinc/55/97/14/571559714.db2.gz DFQWNOFQRFEFFB-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224496621 571560364 /nfs/dbraw/zinc/56/03/64/571560364.db2.gz VURPEBRVPOOILR-DQEYMECFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1C ZINC000224499183 571560951 /nfs/dbraw/zinc/56/09/51/571560951.db2.gz OLZLONYJVAXRQG-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224499493 571561104 /nfs/dbraw/zinc/56/11/04/571561104.db2.gz ANHLIUINDLQOQM-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1C ZINC000224499285 571561145 /nfs/dbraw/zinc/56/11/45/571561145.db2.gz OLZLONYJVAXRQG-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224500802 571561414 /nfs/dbraw/zinc/56/14/14/571561414.db2.gz FDYGQGVCVCOJGZ-CLJLJLNGSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224500903 571561510 /nfs/dbraw/zinc/56/15/10/571561510.db2.gz FDYGQGVCVCOJGZ-IZZNHLLZSA-N 0 0 551.941 7.391 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501172 571561549 /nfs/dbraw/zinc/56/15/49/571561549.db2.gz OJYCRWPERQVXNQ-UIOOFZCWSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223861354 571563586 /nfs/dbraw/zinc/56/35/86/571563586.db2.gz KBZLFXDPZVTZQE-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223863788 571563947 /nfs/dbraw/zinc/56/39/47/571563947.db2.gz RFMXGKOJQABNTC-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224515136 571564272 /nfs/dbraw/zinc/56/42/72/571564272.db2.gz SBXSTXSTOYKZAV-LOSJGSFVSA-N 0 0 519.468 6.129 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000197745292 571564371 /nfs/dbraw/zinc/56/43/71/571564371.db2.gz GFDAJIHXEPMCHB-CVXGXVHTSA-N 0 0 570.556 5.927 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223884812 571567953 /nfs/dbraw/zinc/56/79/53/571567953.db2.gz QZDLDCBLWGEWLF-RRPNLBNLSA-N 0 0 535.639 6.751 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224532772 571568012 /nfs/dbraw/zinc/56/80/12/571568012.db2.gz CHZABYHNRJRVDZ-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224532506 571568046 /nfs/dbraw/zinc/56/80/46/571568046.db2.gz NOGARVIQCAYVMX-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224534880 571568572 /nfs/dbraw/zinc/56/85/72/571568572.db2.gz UEYFTYQQRIJQRY-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223893080 571569474 /nfs/dbraw/zinc/56/94/74/571569474.db2.gz UXRXNWMZHCETRN-IOWSJCHKSA-N 0 0 517.702 6.885 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223899491 571570771 /nfs/dbraw/zinc/57/07/71/571570771.db2.gz OQCKTBBVOKQEME-RRPNLBNLSA-N 0 0 536.532 7.039 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899311 571570790 /nfs/dbraw/zinc/57/07/90/571570790.db2.gz CGOHTPZQYXPRLP-CONSDPRKSA-N 0 0 538.765 6.578 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223899771 571570851 /nfs/dbraw/zinc/57/08/51/571570851.db2.gz TZVHXNBEDJMABN-SVBPBHIXSA-N 0 0 536.532 7.039 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223900764 571570949 /nfs/dbraw/zinc/57/09/49/571570949.db2.gz CWWXKIPMUKTDIO-VSGBNLITSA-N 0 0 511.651 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223900923 571571094 /nfs/dbraw/zinc/57/10/94/571571094.db2.gz CWWXKIPMUKTDIO-NSOVKSMOSA-N 0 0 511.651 5.461 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223901748 571571365 /nfs/dbraw/zinc/57/13/65/571571365.db2.gz NMFUENKYSKNOSV-IZLXSDGUSA-N 0 0 542.665 5.649 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902658 571571426 /nfs/dbraw/zinc/57/14/26/571571426.db2.gz IPBZOEQWMKJTKR-IZLXSDGUSA-N 0 0 542.665 5.649 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000208228189 571573471 /nfs/dbraw/zinc/57/34/71/571573471.db2.gz XNVLQCOZCSCCCN-SMNNTEATSA-N 0 0 507.656 5.791 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21 ZINC000208255907 571573642 /nfs/dbraw/zinc/57/36/42/571573642.db2.gz YYCZJLGVPIUHFY-YYLUKMIBSA-N 0 0 502.011 5.876 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000224559481 571574474 /nfs/dbraw/zinc/57/44/74/571574474.db2.gz ZIKXNOYAZIJISC-UHFFFAOYSA-N 0 0 557.716 5.867 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)cc1 ZINC000208461764 571574492 /nfs/dbraw/zinc/57/44/92/571574492.db2.gz DRDJGFLGWAWUHI-OYKKKHCWSA-N 0 0 505.640 5.700 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000208468288 571574501 /nfs/dbraw/zinc/57/45/01/571574501.db2.gz LVZNZGCEYVRCKZ-FBHDLOMBSA-N 0 0 516.450 6.300 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)c(C)c1 ZINC000208468891 571574526 /nfs/dbraw/zinc/57/45/26/571574526.db2.gz BSFHZMROQDAOKV-KSEXSDGBSA-N 0 0 510.059 6.264 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208531356 571574602 /nfs/dbraw/zinc/57/46/02/571574602.db2.gz YCWGYPZPAOGBMW-QRVIBDJDSA-N 0 0 510.059 6.345 40 10 KKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)c(OCC(=O)OC)c(Br)c3)S2)cc1 ZINC000208526730 571574666 /nfs/dbraw/zinc/57/46/66/571574666.db2.gz WGWNXVVTFTXCNC-YVLHZVERSA-N 0 0 509.809 5.299 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208661571 571574757 /nfs/dbraw/zinc/57/47/57/571574757.db2.gz GTDJOFNTTUJSNB-BKUYFWCQSA-N 0 0 536.488 6.710 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208656146 571574808 /nfs/dbraw/zinc/57/48/08/571574808.db2.gz QJBYRTHVNHFBKR-NHDPSOOVSA-N 0 0 598.437 7.600 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000224560791 571574812 /nfs/dbraw/zinc/57/48/12/571574812.db2.gz FUHCSNWLQYJALE-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208662799 571574839 /nfs/dbraw/zinc/57/48/39/571574839.db2.gz IXYLDYBDWUIWQW-NHDPSOOVSA-N 0 0 548.430 6.721 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000208670479 571574958 /nfs/dbraw/zinc/57/49/58/571574958.db2.gz WMUAZQQETYGZGL-AUWJEWJLSA-N 0 0 613.667 5.964 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223917293 571575010 /nfs/dbraw/zinc/57/50/10/571575010.db2.gz LUXKQYQMHAJNST-WUFINQPMSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208712674 571575105 /nfs/dbraw/zinc/57/51/05/571575105.db2.gz FQMDZNWUJSPWRI-JJFYIABZSA-N 0 0 503.979 6.612 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)c(C)c1 ZINC000208729842 571575106 /nfs/dbraw/zinc/57/51/06/571575106.db2.gz IPUNNFJCGNSKEV-JAIQZWGSSA-N 0 0 515.410 6.640 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000223922548 571576121 /nfs/dbraw/zinc/57/61/21/571576121.db2.gz GYEBIIPVDRBVES-FQLXRVMXSA-N 0 0 560.167 6.380 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)c1ccccc1I ZINC000211002342 571576175 /nfs/dbraw/zinc/57/61/75/571576175.db2.gz KCGFXTWHNIEDNY-NDENLUEZSA-N 0 0 611.404 6.935 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569831 571576835 /nfs/dbraw/zinc/57/68/35/571576835.db2.gz DVECFTGUMQCYRM-LOYHVIPDSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000224572509 571577489 /nfs/dbraw/zinc/57/74/89/571577489.db2.gz YDJYODPUELXQGW-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224572343 571577545 /nfs/dbraw/zinc/57/75/45/571577545.db2.gz GXOOHCQZKWTWSS-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223932631 571578085 /nfs/dbraw/zinc/57/80/85/571578085.db2.gz BJAMXOFRBACHDF-IOWSJCHKSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000223933061 571578110 /nfs/dbraw/zinc/57/81/10/571578110.db2.gz NOQRRFSEUXIUFX-WDYNHAJCSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223934668 571578401 /nfs/dbraw/zinc/57/84/01/571578401.db2.gz ADCXMTYKPQTPHZ-VMPREFPWSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223934150 571578422 /nfs/dbraw/zinc/57/84/22/571578422.db2.gz IPFVUDCDWQTYIP-VMPREFPWSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223934798 571578487 /nfs/dbraw/zinc/57/84/87/571578487.db2.gz MNIILQPJYHHINU-WDYNHAJCSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000223935340 571578574 /nfs/dbraw/zinc/57/85/74/571578574.db2.gz YJQPPGUHWYSPNR-URLMMPGGSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1O ZINC000223935114 571578616 /nfs/dbraw/zinc/57/86/16/571578616.db2.gz MYGGDTABBCJRAI-URLMMPGGSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223937333 571579070 /nfs/dbraw/zinc/57/90/70/571579070.db2.gz DBKOHXVEORXVPR-VMPREFPWSA-N 0 0 578.569 6.810 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1 ZINC000224587228 571581243 /nfs/dbraw/zinc/58/12/43/571581243.db2.gz ZOYGATKSBWEIHG-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C ZINC000224587391 571581254 /nfs/dbraw/zinc/58/12/54/571581254.db2.gz ZQJBOZIQUFCKDT-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1 ZINC000224587281 571581260 /nfs/dbraw/zinc/58/12/60/571581260.db2.gz ZOYGATKSBWEIHG-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000223950311 571581940 /nfs/dbraw/zinc/58/19/40/571581940.db2.gz MBQMSXUSBUFYSO-CTNGQTDRSA-N 0 0 506.112 5.308 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Br ZINC000224603731 571584675 /nfs/dbraw/zinc/58/46/75/571584675.db2.gz JAUZLBJBODOYSL-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608198 571585511 /nfs/dbraw/zinc/58/55/11/571585511.db2.gz OAFLZWQUBWNXMR-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223975493 571587109 /nfs/dbraw/zinc/58/71/09/571587109.db2.gz VBZSUNKRDUYZFG-RRPNLBNLSA-N 0 0 560.521 6.387 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977654 571587451 /nfs/dbraw/zinc/58/74/51/571587451.db2.gz VEFIFJCABCWLMN-IOWSJCHKSA-N 0 0 552.748 6.471 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223977428 571587455 /nfs/dbraw/zinc/58/74/55/571587455.db2.gz AYQULMSDNFJAED-URLMMPGGSA-N 0 0 524.694 5.691 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000223978759 571587809 /nfs/dbraw/zinc/58/78/09/571587809.db2.gz JLUUGDYUFZFGSC-YTMVLYRLSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223979352 571587837 /nfs/dbraw/zinc/58/78/37/571587837.db2.gz XMYYHIICWZGDAM-WUFINQPMSA-N 0 0 525.634 5.353 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223980494 571588098 /nfs/dbraw/zinc/58/80/98/571588098.db2.gz FTFOBZCEFHUROT-IZLXSDGUSA-N 0 0 530.097 6.586 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223980357 571588113 /nfs/dbraw/zinc/58/81/13/571588113.db2.gz WQJZIDUVSCSRSU-NSOVKSMOSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224637283 571592246 /nfs/dbraw/zinc/59/22/46/571592246.db2.gz BXTODWOXKFFLBH-CONSDPRKSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224637663 571592331 /nfs/dbraw/zinc/59/23/31/571592331.db2.gz JUJAOKCXQYZAPD-CONSDPRKSA-N 0 0 551.115 8.112 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224638946 571592752 /nfs/dbraw/zinc/59/27/52/571592752.db2.gz LEZHKMBOGMOVJT-ACHIHNKUSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224640412 571592954 /nfs/dbraw/zinc/59/29/54/571592954.db2.gz PAKIGSSHWGNMCK-CONSDPRKSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224641183 571593196 /nfs/dbraw/zinc/59/31/96/571593196.db2.gz VRYJGICUTCYJQJ-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224641789 571593296 /nfs/dbraw/zinc/59/32/96/571593296.db2.gz FSUSVYGLDCWRNF-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224641525 571593316 /nfs/dbraw/zinc/59/33/16/571593316.db2.gz XGNVHTABIUIBSC-ZFEZZJPFSA-N 0 0 558.751 8.384 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643396 571593457 /nfs/dbraw/zinc/59/34/57/571593457.db2.gz ZJLFXWXDYAXDSL-TWJUONSBSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224643925 571593562 /nfs/dbraw/zinc/59/35/62/571593562.db2.gz NCIJRWKUSLJSRI-IOWSJCHKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc21 ZINC000224010594 571594674 /nfs/dbraw/zinc/59/46/74/571594674.db2.gz BXCOIPQHOCBALT-LOYHVIPDSA-N 0 0 518.642 6.548 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224016811 571595842 /nfs/dbraw/zinc/59/58/42/571595842.db2.gz KLSRDIJKCHZTSJ-VSGBNLITSA-N 0 0 511.651 5.461 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224655001 571596562 /nfs/dbraw/zinc/59/65/62/571596562.db2.gz WGRVDJKDUMMXKN-FIRIVFDPSA-N 0 0 532.669 7.159 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020592 571596558 /nfs/dbraw/zinc/59/65/58/571596558.db2.gz YEARDGUFYUFSIV-RRPNLBNLSA-N 0 0 543.605 5.312 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020641 571596604 /nfs/dbraw/zinc/59/66/04/571596604.db2.gz YEARDGUFYUFSIV-SVBPBHIXSA-N 0 0 543.605 5.312 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224655569 571596597 /nfs/dbraw/zinc/59/65/97/571596597.db2.gz NSBVHMXTLSGGMU-ACHIHNKUSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224655634 571596599 /nfs/dbraw/zinc/59/65/99/571596599.db2.gz DYZCCVLNDKUQSI-ROJLCIKYSA-N 0 0 574.706 7.245 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224659907 571597605 /nfs/dbraw/zinc/59/76/05/571597605.db2.gz KWPIZXUIDLIPNU-ZWXJPIIXSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000224661243 571597931 /nfs/dbraw/zinc/59/79/31/571597931.db2.gz LVOPEWVOQNFMHT-ACHIHNKUSA-N 0 0 581.185 8.645 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1 ZINC000224035609 571599355 /nfs/dbraw/zinc/59/93/55/571599355.db2.gz RFBZKVDCNBEZQT-SVBPBHIXSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224669451 571599383 /nfs/dbraw/zinc/59/93/83/571599383.db2.gz NZYRTJMRYCLVHG-ZWXJPIIXSA-N 0 0 598.694 8.786 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1 ZINC000224035490 571599374 /nfs/dbraw/zinc/59/93/74/571599374.db2.gz RFBZKVDCNBEZQT-SXOMAYOGSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1F ZINC000224670073 571599436 /nfs/dbraw/zinc/59/94/36/571599436.db2.gz KIHQXQFKAOIIRS-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224035840 571599568 /nfs/dbraw/zinc/59/95/68/571599568.db2.gz VTRPQNMPQSKONY-SVBPBHIXSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(F)c1 ZINC000224670274 571599585 /nfs/dbraw/zinc/59/95/85/571599585.db2.gz OMRNZAUFDGNIHE-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224673376 571600373 /nfs/dbraw/zinc/60/03/73/571600373.db2.gz TVXOOBNVHUCGCP-HEVIKAOCSA-N 0 0 573.766 7.833 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1C ZINC000224674073 571600499 /nfs/dbraw/zinc/60/04/99/571600499.db2.gz RUKAMOONHVXJQO-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1C ZINC000224674214 571600560 /nfs/dbraw/zinc/60/05/60/571600560.db2.gz RUKAMOONHVXJQO-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224675141 571600697 /nfs/dbraw/zinc/60/06/97/571600697.db2.gz WAKQLEFHXCCQJK-OQBISYOISA-N 0 0 572.778 8.692 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cccc1C ZINC000224674633 571600702 /nfs/dbraw/zinc/60/07/02/571600702.db2.gz ONTFPHIDRRHERG-TWJUONSBSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224677335 571601296 /nfs/dbraw/zinc/60/12/96/571601296.db2.gz KGFOSYVMNMPRHM-ROJLCIKYSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000224050600 571602180 /nfs/dbraw/zinc/60/21/80/571602180.db2.gz NWZJDAWSYKOVQL-IZLXSDGUSA-N 0 0 533.097 6.345 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224051421 571602353 /nfs/dbraw/zinc/60/23/53/571602353.db2.gz IWQONBRVMDSWFX-FQLXRVMXSA-N 0 0 547.124 6.653 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224051916 571602465 /nfs/dbraw/zinc/60/24/65/571602465.db2.gz KHQOGORLAOMNFY-KYJUHHDHSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000224055217 571603153 /nfs/dbraw/zinc/60/31/53/571603153.db2.gz GTVIYLSYOFKDNU-FQLXRVMXSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000224055163 571603176 /nfs/dbraw/zinc/60/31/76/571603176.db2.gz GTVIYLSYOFKDNU-URLMMPGGSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224057213 571603660 /nfs/dbraw/zinc/60/36/60/571603660.db2.gz JEUVWMSALOUTSO-KYJUHHDHSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224057435 571603670 /nfs/dbraw/zinc/60/36/70/571603670.db2.gz CNNHSIYTVDONCV-JDXGNMNLSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224057588 571603680 /nfs/dbraw/zinc/60/36/80/571603680.db2.gz CNNHSIYTVDONCV-PQHLKRTFSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224058194 571603864 /nfs/dbraw/zinc/60/38/64/571603864.db2.gz XJQSCYHUJDJKEB-VEEOACQBSA-N 0 0 575.178 7.270 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224058678 571603946 /nfs/dbraw/zinc/60/39/46/571603946.db2.gz VLWKIRXDMUEJLN-WDYNHAJCSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224059667 571604217 /nfs/dbraw/zinc/60/42/17/571604217.db2.gz CSJQGSDKOVHEGF-URLMMPGGSA-N 0 0 597.568 7.007 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224059962 571604245 /nfs/dbraw/zinc/60/42/45/571604245.db2.gz MZVWFKHWHCUOEX-FQLXRVMXSA-N 0 0 608.120 6.262 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224694216 571605849 /nfs/dbraw/zinc/60/58/49/571605849.db2.gz FDZVUBWMWWMMEY-ACHIHNKUSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224694129 571605888 /nfs/dbraw/zinc/60/58/88/571605888.db2.gz FDZVUBWMWWMMEY-ZWXJPIIXSA-N 0 0 598.694 8.786 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000224074689 571606729 /nfs/dbraw/zinc/60/67/29/571606729.db2.gz STZKZZSVVWHIDG-WUFINQPMSA-N 0 0 549.096 6.045 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000224075079 571606814 /nfs/dbraw/zinc/60/68/14/571606814.db2.gz MVAWDUXXOKGLDM-WDYNHAJCSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224702253 571606833 /nfs/dbraw/zinc/60/68/33/571606833.db2.gz WDJBUJUYHFUOPE-ZPGRZCPFSA-N 0 0 580.757 8.920 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224704034 571606878 /nfs/dbraw/zinc/60/68/78/571606878.db2.gz WPDVHCITNSYFFG-SZAHLOSFSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1F ZINC000224704136 571606895 /nfs/dbraw/zinc/60/68/95/571606895.db2.gz YEVBQYNQNUSKEB-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224705719 571606967 /nfs/dbraw/zinc/60/69/67/571606967.db2.gz AVAYZWQFNCLNQW-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224705940 571607072 /nfs/dbraw/zinc/60/70/72/571607072.db2.gz XMFRBTSURXQIIC-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224706556 571607096 /nfs/dbraw/zinc/60/70/96/571607096.db2.gz PHXLSYSFBHDOIP-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224706622 571607108 /nfs/dbraw/zinc/60/71/08/571607108.db2.gz YUFPKQFOJVKTTR-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224080122 571607209 /nfs/dbraw/zinc/60/72/09/571607209.db2.gz LDCJXZNGJNXDBC-SAIUNTKASA-N 0 0 608.812 6.406 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)C ZINC000224081174 571607300 /nfs/dbraw/zinc/60/73/00/571607300.db2.gz UWBRFBWMARZSAC-VMPREFPWSA-N 0 0 574.194 7.447 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224707818 571607309 /nfs/dbraw/zinc/60/73/09/571607309.db2.gz QXFLZFMHWBTPCD-ROJLCIKYSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224708388 571607459 /nfs/dbraw/zinc/60/74/59/571607459.db2.gz RPPIVWJEZDMZLU-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224708702 571607490 /nfs/dbraw/zinc/60/74/90/571607490.db2.gz WFGOHNWEKBPQJE-CWTKIQHKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224708933 571607665 /nfs/dbraw/zinc/60/76/65/571607665.db2.gz GWKIAJFWMRLGDS-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224710056 571607799 /nfs/dbraw/zinc/60/77/99/571607799.db2.gz OIZCAQIKLIEHQI-CZNDPXEESA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224089831 571608397 /nfs/dbraw/zinc/60/83/97/571608397.db2.gz OTGQQOOZIYRGCQ-LOYHVIPDSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1F ZINC000224090969 571608628 /nfs/dbraw/zinc/60/86/28/571608628.db2.gz UMMIQXBQWPXHAT-FQLXRVMXSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224091700 571608727 /nfs/dbraw/zinc/60/87/27/571608727.db2.gz RXYDLABUEBXGDS-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224091531 571608756 /nfs/dbraw/zinc/60/87/56/571608756.db2.gz NYCFEYOZELSANR-URLMMPGGSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224092499 571608875 /nfs/dbraw/zinc/60/88/75/571608875.db2.gz URDNWOIHGUTFDM-VMPREFPWSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224092937 571608991 /nfs/dbraw/zinc/60/89/91/571608991.db2.gz DICTWYGRAYXMAO-URLMMPGGSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224097782 571609570 /nfs/dbraw/zinc/60/95/70/571609570.db2.gz XVTUERSJIUDZHL-XZWHSSHBSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ncccc1C ZINC000224099193 571609832 /nfs/dbraw/zinc/60/98/32/571609832.db2.gz ZXWJOKYSWFRABH-WUFINQPMSA-N 0 0 538.721 6.273 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224723822 571610959 /nfs/dbraw/zinc/61/09/59/571610959.db2.gz AHSNMGFYOQLLLV-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224724292 571611056 /nfs/dbraw/zinc/61/10/56/571611056.db2.gz DZZOLGJLOYRBTD-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)cc1 ZINC000224113000 571611352 /nfs/dbraw/zinc/61/13/52/571611352.db2.gz XWAWCQQLXGTEPD-FQLXRVMXSA-N 0 0 539.705 6.269 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)n1-c1ccccc1 ZINC000224112924 571611384 /nfs/dbraw/zinc/61/13/84/571611384.db2.gz PHYXLMVSJJHXCI-NSOVKSMOSA-N 0 0 509.679 6.261 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C)c3C)cc2)cc1 ZINC000224737166 571612507 /nfs/dbraw/zinc/61/25/07/571612507.db2.gz PJNHJWVAUGGIGC-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)cc1 ZINC000224737536 571612540 /nfs/dbraw/zinc/61/25/40/571612540.db2.gz TULDDHWVSZAGAD-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)cc1 ZINC000224737490 571612556 /nfs/dbraw/zinc/61/25/56/571612556.db2.gz TULDDHWVSZAGAD-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 ZINC000224737362 571612563 /nfs/dbraw/zinc/61/25/63/571612563.db2.gz LSWKNEVWZMPDJQ-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(O)cc4)c3C)cc2)cc1 ZINC000224740962 571612739 /nfs/dbraw/zinc/61/27/39/571612739.db2.gz SBEULLVDMXKXSV-ROJLCIKYSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(O)cc4)c3C)cc2)cc1 ZINC000224740819 571612752 /nfs/dbraw/zinc/61/27/52/571612752.db2.gz SBEULLVDMXKXSV-ACHIHNKUSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(OC)cc4)c3C)cc2)cc1 ZINC000224741307 571612814 /nfs/dbraw/zinc/61/28/14/571612814.db2.gz AVGVOXUXWDWWFQ-JHOUSYSJSA-N 0 0 576.722 7.476 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742248 571612895 /nfs/dbraw/zinc/61/28/95/571612895.db2.gz MNPOBURLXFFGFI-LQFQNGICSA-N 0 0 617.819 8.313 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2)cc1 ZINC000224743073 571612965 /nfs/dbraw/zinc/61/29/65/571612965.db2.gz CRNGXHODOHDUJM-HEVIKAOCSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)cc2)cc1 ZINC000224743910 571613010 /nfs/dbraw/zinc/61/30/10/571613010.db2.gz LFERUUZJCYGQOT-LRHLLKFHSA-N 0 0 588.777 8.392 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2)cc1 ZINC000224743753 571613038 /nfs/dbraw/zinc/61/30/38/571613038.db2.gz IZFMVXYTJZWRQJ-SAIUNTKASA-N 0 0 590.705 7.196 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)cc1 ZINC000224743536 571613054 /nfs/dbraw/zinc/61/30/54/571613054.db2.gz WYLGAHWNWDZZRP-NOCHOARKSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)cc2)cc1 ZINC000224744385 571613075 /nfs/dbraw/zinc/61/30/75/571613075.db2.gz YNCASXIDUACULL-JHOUSYSJSA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4C)c3C)cc2)cc1 ZINC000224744143 571613081 /nfs/dbraw/zinc/61/30/81/571613081.db2.gz BQFODWIEUVYHEG-SAIUNTKASA-N 0 0 595.168 8.429 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c1 ZINC000224758017 571614413 /nfs/dbraw/zinc/61/44/13/571614413.db2.gz COWWLEOTOMUBCB-CZNDPXEESA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224762594 571614820 /nfs/dbraw/zinc/61/48/20/571614820.db2.gz UYUMYXFAIQEFPH-GPOMZPHUSA-N 0 0 662.841 7.562 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C ZINC000224771325 571615577 /nfs/dbraw/zinc/61/55/77/571615577.db2.gz OMBTYMIBNATOGP-ZWXJPIIXSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C ZINC000224771425 571615592 /nfs/dbraw/zinc/61/55/92/571615592.db2.gz OMBTYMIBNATOGP-ACHIHNKUSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1 ZINC000224771123 571615599 /nfs/dbraw/zinc/61/55/99/571615599.db2.gz PYDCHIPKQSTTFA-JSOSNVBQSA-N 0 0 577.735 7.726 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224771977 571615646 /nfs/dbraw/zinc/61/56/46/571615646.db2.gz FZCMNQLVWGIURY-IOWSJCHKSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1F ZINC000224772543 571615720 /nfs/dbraw/zinc/61/57/20/571615720.db2.gz REVIFEJXNAFNCY-JSOSNVBQSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224772832 571615753 /nfs/dbraw/zinc/61/57/53/571615753.db2.gz JOPRZIHYDSOMRD-CONSDPRKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224774083 571615853 /nfs/dbraw/zinc/61/58/53/571615853.db2.gz WWKQSIOFFZISDP-CONSDPRKSA-N 0 0 656.631 8.488 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224774917 571615879 /nfs/dbraw/zinc/61/58/79/571615879.db2.gz CDJFNQIHQOVYAF-ACHIHNKUSA-N 0 0 607.761 7.734 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776013 571615994 /nfs/dbraw/zinc/61/59/94/571615994.db2.gz PODOVWRAFPLHQK-VSJLXWSYSA-N 0 0 648.858 8.572 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224777408 571616103 /nfs/dbraw/zinc/61/61/03/571616103.db2.gz AZZYPLRJNKVVKA-ROJLCIKYSA-N 0 0 621.744 7.454 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224778536 571616198 /nfs/dbraw/zinc/61/61/98/571616198.db2.gz BAMIWTFKRIFXSC-ACHIHNKUSA-N 0 0 626.207 8.687 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224792093 571617546 /nfs/dbraw/zinc/61/75/46/571617546.db2.gz UYWARJAJCGDSFX-ACHIHNKUSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(OC)c1 ZINC000224796077 571617908 /nfs/dbraw/zinc/61/79/08/571617908.db2.gz WERGOUQDOIWYNG-RRPNLBNLSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(OC)c1 ZINC000224796216 571617960 /nfs/dbraw/zinc/61/79/60/571617960.db2.gz LEVDNLYOSLGWAU-JSOSNVBQSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c(OC)c1 ZINC000224806927 571618917 /nfs/dbraw/zinc/61/89/17/571618917.db2.gz CZYYFFUSUYAQOT-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 ZINC000224807265 571618956 /nfs/dbraw/zinc/61/89/56/571618956.db2.gz RGHPVTWMIGBKMM-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224808141 571619055 /nfs/dbraw/zinc/61/90/55/571619055.db2.gz MSSUMEJDPAGMIZ-VSGBNLITSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 ZINC000224809412 571619184 /nfs/dbraw/zinc/61/91/84/571619184.db2.gz XVKLTDUMQVBWJC-RRPNLBNLSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c(OC)c1 ZINC000224809973 571619224 /nfs/dbraw/zinc/61/92/24/571619224.db2.gz CLKCOEAZCDGZFC-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224829006 571621145 /nfs/dbraw/zinc/62/11/45/571621145.db2.gz VRTQRAHPYBKERE-CONSDPRKSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224833447 571621565 /nfs/dbraw/zinc/62/15/65/571621565.db2.gz XIYIOWBVSGRHFV-SXOMAYOGSA-N 0 0 535.069 6.042 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224838206 571622089 /nfs/dbraw/zinc/62/20/89/571622089.db2.gz SWYUPKSBQZKWLZ-VMPREFPWSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1 ZINC000224839102 571622168 /nfs/dbraw/zinc/62/21/68/571622168.db2.gz JHYNIGLWNXSIGH-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000224839391 571622213 /nfs/dbraw/zinc/62/22/13/571622213.db2.gz VFNRXQXZJGXPKJ-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224839703 571622258 /nfs/dbraw/zinc/62/22/58/571622258.db2.gz CUBROXQDTAAMFD-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1 ZINC000224840414 571622285 /nfs/dbraw/zinc/62/22/85/571622285.db2.gz UGPTXQKUCFYPQK-SVBPBHIXSA-N 0 0 500.624 5.389 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841782 571622379 /nfs/dbraw/zinc/62/23/79/571622379.db2.gz VPDFUQCYQMPWQV-FIRIVFDPSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000224841629 571622381 /nfs/dbraw/zinc/62/23/81/571622381.db2.gz WBZQDUMMWYGYJH-WDYNHAJCSA-N 0 0 527.694 5.749 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841824 571622406 /nfs/dbraw/zinc/62/24/06/571622406.db2.gz VPDFUQCYQMPWQV-JSOSNVBQSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224842215 571622437 /nfs/dbraw/zinc/62/24/37/571622437.db2.gz YCLQKHOXVQEUBX-SXOMAYOGSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224842107 571622457 /nfs/dbraw/zinc/62/24/57/571622457.db2.gz IBJXLKMGUIKRJX-KAYWLYCHSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224842300 571622481 /nfs/dbraw/zinc/62/24/81/571622481.db2.gz YCLQKHOXVQEUBX-KAYWLYCHSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1 ZINC000224843336 571622528 /nfs/dbraw/zinc/62/25/28/571622528.db2.gz CCDXJXHZVUNLOL-JDXGNMNLSA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000224842978 571622534 /nfs/dbraw/zinc/62/25/34/571622534.db2.gz CRXNLQQAQXREHH-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1 ZINC000224869765 571625065 /nfs/dbraw/zinc/62/50/65/571625065.db2.gz DICFWYIWFLWFDN-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872174 571625348 /nfs/dbraw/zinc/62/53/48/571625348.db2.gz ZRJAQLAWRCOZIH-URLMMPGGSA-N 0 0 546.140 6.871 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224872388 571625388 /nfs/dbraw/zinc/62/53/88/571625388.db2.gz LIAXYFPOJVVTEH-DQEYMECFSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)ccc1C ZINC000224872889 571625396 /nfs/dbraw/zinc/62/53/96/571625396.db2.gz HQMPSNFAXFTYDT-RRPNLBNLSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872565 571625400 /nfs/dbraw/zinc/62/54/00/571625400.db2.gz WGJOBBWNKLUFNT-DQEYMECFSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1C ZINC000224873701 571625527 /nfs/dbraw/zinc/62/55/27/571625527.db2.gz BZIMFUGSYJWNQT-CLJLJLNGSA-N 0 0 523.489 6.987 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874946 571625705 /nfs/dbraw/zinc/62/57/05/571625705.db2.gz OVQSBCSGMMUNFF-IAPPQJPRSA-N 0 0 517.098 6.896 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224898037 571627943 /nfs/dbraw/zinc/62/79/43/571627943.db2.gz LOWOORYAJMUULG-CLJLJLNGSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224899640 571628079 /nfs/dbraw/zinc/62/80/79/571628079.db2.gz IMHDXCKAFIBBAK-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224901827 571628276 /nfs/dbraw/zinc/62/82/76/571628276.db2.gz HTRLEKHZYUWSRM-IZZNHLLZSA-N 0 0 525.480 7.421 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224915832 571629495 /nfs/dbraw/zinc/62/94/95/571629495.db2.gz YBWZMHMNVHNRMN-KAYWLYCHSA-N 0 0 514.626 5.900 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224916046 571629544 /nfs/dbraw/zinc/62/95/44/571629544.db2.gz LQWGKIKYEBRWNY-SXOMAYOGSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224919684 571629878 /nfs/dbraw/zinc/62/98/78/571629878.db2.gz KBFVKXUFMGBPBP-IZZNHLLZSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1Br ZINC000224920701 571630011 /nfs/dbraw/zinc/63/00/11/571630011.db2.gz YZLCOOABFGFJCB-UIOOFZCWSA-N 0 0 533.539 6.961 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1 ZINC000224927207 571630790 /nfs/dbraw/zinc/63/07/90/571630790.db2.gz CZOILTCEQVADSX-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224929342 571630994 /nfs/dbraw/zinc/63/09/94/571630994.db2.gz YGGAUZHKSRBJSM-FTJBHMTQSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224929042 571630995 /nfs/dbraw/zinc/63/09/95/571630995.db2.gz QJBJVJFFRZAXGT-IZZNHLLZSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224929766 571631079 /nfs/dbraw/zinc/63/10/79/571631079.db2.gz WUIBMALPKNVDIX-UIOOFZCWSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1O ZINC000224930046 571631095 /nfs/dbraw/zinc/63/10/95/571631095.db2.gz CZXVYWHIRKFTJA-FTJBHMTQSA-N 0 0 533.495 6.443 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224930615 571631156 /nfs/dbraw/zinc/63/11/56/571631156.db2.gz CLTCLOBJRDOLMC-RRPNLBNLSA-N 0 0 547.522 6.746 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224930537 571631169 /nfs/dbraw/zinc/63/11/69/571631169.db2.gz CLTCLOBJRDOLMC-KAYWLYCHSA-N 0 0 547.522 6.746 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224931309 571631229 /nfs/dbraw/zinc/63/12/29/571631229.db2.gz NZVKUXLSXMSHGZ-WUFINQPMSA-N 0 0 560.565 6.803 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224933598 571631429 /nfs/dbraw/zinc/63/14/29/571631429.db2.gz OCNVAZDLSNJQAY-SVBPBHIXSA-N 0 0 565.968 7.699 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933907 571631449 /nfs/dbraw/zinc/63/14/49/571631449.db2.gz PIFQNVPEUIFWNZ-RRPNLBNLSA-N 0 0 581.967 7.399 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)n1-c1ccccc1 ZINC000224944797 571632586 /nfs/dbraw/zinc/63/25/86/571632586.db2.gz MDFOXPMJQZVWQT-RPBOFIJWSA-N 0 0 503.469 6.429 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)cc1 ZINC000224944973 571632597 /nfs/dbraw/zinc/63/25/97/571632597.db2.gz HFKUHRWFXLNNTB-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224949385 571632954 /nfs/dbraw/zinc/63/29/54/571632954.db2.gz PEOGGZNYHWDTHP-KYJUHHDHSA-N 0 0 574.150 6.165 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000224950427 571633089 /nfs/dbraw/zinc/63/30/89/571633089.db2.gz NWNXHPVGJZDYQX-FTJBHMTQSA-N 0 0 539.532 7.206 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224957271 571633690 /nfs/dbraw/zinc/63/36/90/571633690.db2.gz SOUURBWPZAPUPE-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224958314 571633768 /nfs/dbraw/zinc/63/37/68/571633768.db2.gz SLIRZQZFAZFUJQ-FTJBHMTQSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224960997 571634129 /nfs/dbraw/zinc/63/41/29/571634129.db2.gz YZNVVRBYDPPJPJ-UIOOFZCWSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224961807 571634189 /nfs/dbraw/zinc/63/41/89/571634189.db2.gz PQSJLEMHAHSVJF-IXCJQBJRSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224962566 571634293 /nfs/dbraw/zinc/63/42/93/571634293.db2.gz OUWSUUBIEIEMJU-SVBPBHIXSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224962433 571634333 /nfs/dbraw/zinc/63/43/33/571634333.db2.gz YGNKKYORMBVYPX-SXOMAYOGSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224963999 571634449 /nfs/dbraw/zinc/63/44/49/571634449.db2.gz XHTINXISZMFXSW-RPBOFIJWSA-N 0 0 504.059 6.032 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224963689 571634463 /nfs/dbraw/zinc/63/44/63/571634463.db2.gz JNQIVQBDXAPPOM-LMSSTIIKSA-N 0 0 531.125 7.199 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224964133 571634524 /nfs/dbraw/zinc/63/45/24/571634524.db2.gz HZBNJEZBWBKVCB-UIOOFZCWSA-N 0 0 504.059 6.032 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224974606 571635410 /nfs/dbraw/zinc/63/54/10/571635410.db2.gz BYWMWKRKGBOTGX-KAYWLYCHSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224980511 571635817 /nfs/dbraw/zinc/63/58/17/571635817.db2.gz NKZGXQBXPPSPLA-LOYHVIPDSA-N 0 0 557.167 6.951 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224984976 571636357 /nfs/dbraw/zinc/63/63/57/571636357.db2.gz QGHXTHZUQJKESF-VSJLXWSYSA-N 0 0 606.239 8.709 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224986298 571636512 /nfs/dbraw/zinc/63/65/12/571636512.db2.gz WWYHWQFKXBXHSQ-CZNDPXEESA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224987514 571636581 /nfs/dbraw/zinc/63/65/81/571636581.db2.gz VBIQPXCEGLVXKS-FIRIVFDPSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224987688 571636662 /nfs/dbraw/zinc/63/66/62/571636662.db2.gz KEXFLWQJGSQFEX-FIRIVFDPSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224988235 571636705 /nfs/dbraw/zinc/63/67/05/571636705.db2.gz XKXZOEZZVMRJKU-JSOSNVBQSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224989380 571636793 /nfs/dbraw/zinc/63/67/93/571636793.db2.gz HXFXKZXPTRSTKS-CZNDPXEESA-N 0 0 599.248 7.622 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224989865 571636922 /nfs/dbraw/zinc/63/69/22/571636922.db2.gz HHLLHWSZQAUTJL-FIRIVFDPSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224989815 571636927 /nfs/dbraw/zinc/63/69/27/571636927.db2.gz BLHWRRFOEXAMQQ-CONSDPRKSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224990241 571636955 /nfs/dbraw/zinc/63/69/55/571636955.db2.gz OIABIVPQVJAXLM-SAIUNTKASA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224990311 571636983 /nfs/dbraw/zinc/63/69/83/571636983.db2.gz OIABIVPQVJAXLM-LQJZCPKCSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224990581 571637005 /nfs/dbraw/zinc/63/70/05/571637005.db2.gz UCSKFQKGWGWTED-SAIUNTKASA-N 0 0 584.233 8.173 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224991377 571637049 /nfs/dbraw/zinc/63/70/49/571637049.db2.gz FYBMSFXZFLOEAL-ROJLCIKYSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224991087 571637058 /nfs/dbraw/zinc/63/70/58/571637058.db2.gz GSLDPSGGNOCLIX-ZWXJPIIXSA-N 0 0 604.651 8.518 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224991645 571637092 /nfs/dbraw/zinc/63/70/92/571637092.db2.gz UHGGOAJFAUUKMW-ACHIHNKUSA-N 0 0 604.651 8.518 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992273 571637166 /nfs/dbraw/zinc/63/71/66/571637166.db2.gz WBJNMJVCNMMEMM-UZNNEEJFSA-N 0 0 598.260 8.427 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224992758 571637249 /nfs/dbraw/zinc/63/72/49/571637249.db2.gz OAJAYAJNUIGOGQ-JSOSNVBQSA-N 0 0 571.194 7.259 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000225002453 571638180 /nfs/dbraw/zinc/63/81/80/571638180.db2.gz NIWRHQBBQLRQFN-FIRIVFDPSA-N 0 0 572.178 7.256 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000225003147 571638230 /nfs/dbraw/zinc/63/82/30/571638230.db2.gz OYRRLFMWCSGQOH-ROJLCIKYSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225035347 571640907 /nfs/dbraw/zinc/64/09/07/571640907.db2.gz MEFPACBZBGXPSR-ZWXJPIIXSA-N 0 0 566.775 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225043163 571641475 /nfs/dbraw/zinc/64/14/75/571641475.db2.gz USDVPKBPBQZPAR-WUFINQPMSA-N 0 0 549.666 6.983 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225043522 571641530 /nfs/dbraw/zinc/64/15/30/571641530.db2.gz HTMSICRDANMKOV-XZWHSSHBSA-N 0 0 509.723 6.526 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225046721 571641873 /nfs/dbraw/zinc/64/18/73/571641873.db2.gz SNTVLUXXIPCMDY-WUFINQPMSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225047241 571641933 /nfs/dbraw/zinc/64/19/33/571641933.db2.gz WHJBVZFEEWYBEU-XZWHSSHBSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225047890 571641987 /nfs/dbraw/zinc/64/19/87/571641987.db2.gz WPGIEMGJHIEOLJ-VEEOACQBSA-N 0 0 523.750 6.889 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049315 571642110 /nfs/dbraw/zinc/64/21/10/571642110.db2.gz DNDBFGHMUHTSLT-SMCANUKXSA-N 0 0 523.750 6.835 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049153 571642121 /nfs/dbraw/zinc/64/21/21/571642121.db2.gz XLRDKZUDYKQYHM-VMPREFPWSA-N 0 0 556.692 5.881 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225060480 571643063 /nfs/dbraw/zinc/64/30/63/571643063.db2.gz PENBHNXXBDWBCO-WDYNHAJCSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225064029 571643432 /nfs/dbraw/zinc/64/34/32/571643432.db2.gz VEWNTPCFGQINHA-FZNHDDJXSA-N 0 0 658.828 6.520 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225071804 571644146 /nfs/dbraw/zinc/64/41/46/571644146.db2.gz MTXOGXHAQHGKOS-HEVIKAOCSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000225072702 571644233 /nfs/dbraw/zinc/64/42/33/571644233.db2.gz UCVMBYYNNRICJF-LQJZCPKCSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225076102 571644648 /nfs/dbraw/zinc/64/46/48/571644648.db2.gz GVZDWLGRIFKGCT-OIDHKYIRSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225076412 571644684 /nfs/dbraw/zinc/64/46/84/571644684.db2.gz YFBTYENJMFUQJC-OQBISYOISA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225076719 571644702 /nfs/dbraw/zinc/64/47/02/571644702.db2.gz KTHBTWMJDRAQSK-KKLWWLSJSA-N 0 0 617.731 6.412 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225078751 571644921 /nfs/dbraw/zinc/64/49/21/571644921.db2.gz AACJUYFGIVMXJC-SAIUNTKASA-N 0 0 588.737 6.387 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000225078660 571644943 /nfs/dbraw/zinc/64/49/43/571644943.db2.gz CVRDLICWRBCSEU-ACHIHNKUSA-N 0 0 588.737 6.387 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)n1-c1ccccc1 ZINC000225088672 571646178 /nfs/dbraw/zinc/64/61/78/571646178.db2.gz IBXSTDZVQYAKCA-AJQTZOPKSA-N 0 0 559.695 6.375 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)n1-c1ccccc1 ZINC000225088634 571646181 /nfs/dbraw/zinc/64/61/81/571646181.db2.gz IBXSTDZVQYAKCA-ZWXJPIIXSA-N 0 0 559.695 6.375 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225089425 571646208 /nfs/dbraw/zinc/64/62/08/571646208.db2.gz VKOVSFVHZLDEGG-KKLWWLSJSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225092985 571646576 /nfs/dbraw/zinc/64/65/76/571646576.db2.gz XMAHUKHAFTXWHV-URLMMPGGSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100993 571647255 /nfs/dbraw/zinc/64/72/55/571647255.db2.gz HDDSHDKDSKQMFK-VMPREFPWSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101724 571647345 /nfs/dbraw/zinc/64/73/45/571647345.db2.gz QOKYFRQKTQNJGW-VMPREFPWSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103319 571647514 /nfs/dbraw/zinc/64/75/14/571647514.db2.gz KUMWXVXBNXBYHN-FQLXRVMXSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104958 571647648 /nfs/dbraw/zinc/64/76/48/571647648.db2.gz RUUVMAXWUSRZTH-JSOSNVBQSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105887 571647755 /nfs/dbraw/zinc/64/77/55/571647755.db2.gz FUICUECGQDAEGZ-XLJNKUFUSA-N 0 0 595.813 7.585 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105986 571647813 /nfs/dbraw/zinc/64/78/13/571647813.db2.gz UGIVTMZDRHTRCM-IHLOFXLRSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106798 571647915 /nfs/dbraw/zinc/64/79/15/571647915.db2.gz GSXMIDQCWJVBQQ-KYJUHHDHSA-N 0 0 618.203 7.321 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NC(=O)C(C)(C)C ZINC000225117883 571649166 /nfs/dbraw/zinc/64/91/66/571649166.db2.gz PBKZMDKRCDPKNH-WUFINQPMSA-N 0 0 539.705 6.351 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000225124161 571649722 /nfs/dbraw/zinc/64/97/22/571649722.db2.gz NTOLNBDLQLWXNX-SXOMAYOGSA-N 0 0 545.112 6.309 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000225129015 571650093 /nfs/dbraw/zinc/65/00/93/571650093.db2.gz VOYLTHJBNKWSFM-VSGBNLITSA-N 0 0 544.124 6.914 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000225129646 571650144 /nfs/dbraw/zinc/65/01/44/571650144.db2.gz UQTDMSCHENJMTO-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000225130421 571650180 /nfs/dbraw/zinc/65/01/80/571650180.db2.gz LFAACKRZSMLEDJ-WUFINQPMSA-N 0 0 562.114 7.053 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132157 571650365 /nfs/dbraw/zinc/65/03/65/571650365.db2.gz JGUFNBWWFWUTDO-WDYNHAJCSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225133350 571650425 /nfs/dbraw/zinc/65/04/25/571650425.db2.gz UHCUOJSHPXPXTG-WUFINQPMSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225133151 571650464 /nfs/dbraw/zinc/65/04/64/571650464.db2.gz IOCCFYMDADVABJ-IZLXSDGUSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000225133477 571650474 /nfs/dbraw/zinc/65/04/74/571650474.db2.gz VUPMQRNVFCTPGL-IHLOFXLRSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225134419 571650535 /nfs/dbraw/zinc/65/05/35/571650535.db2.gz PSAFOTDXJGTQJE-WDYNHAJCSA-N 0 0 592.596 7.876 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135373 571650637 /nfs/dbraw/zinc/65/06/37/571650637.db2.gz AANBCNCXEQPJNX-FQLXRVMXSA-N 0 0 619.147 6.831 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135462 571650653 /nfs/dbraw/zinc/65/06/53/571650653.db2.gz AANBCNCXEQPJNX-VMPREFPWSA-N 0 0 619.147 6.831 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135321 571650660 /nfs/dbraw/zinc/65/06/60/571650660.db2.gz JRNHQBUCMFPFBB-VMPREFPWSA-N 0 0 608.595 7.576 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225146196 571651943 /nfs/dbraw/zinc/65/19/43/571651943.db2.gz CVXWWBYXTYNFBI-FQLXRVMXSA-N 0 0 602.160 6.701 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225146029 571651963 /nfs/dbraw/zinc/65/19/63/571651963.db2.gz VKXHCGQHUYWZRB-FQLXRVMXSA-N 0 0 602.160 6.701 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225146306 571651979 /nfs/dbraw/zinc/65/19/79/571651979.db2.gz CVXWWBYXTYNFBI-VMPREFPWSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225149550 571652316 /nfs/dbraw/zinc/65/23/16/571652316.db2.gz ZIHJGXZJALINDL-VMPREFPWSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225156966 571653015 /nfs/dbraw/zinc/65/30/15/571653015.db2.gz ATXOXNPKROZQMN-IHLOFXLRSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225157809 571653062 /nfs/dbraw/zinc/65/30/62/571653062.db2.gz YWCUSCUYYVNMLL-WDYNHAJCSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225158026 571653105 /nfs/dbraw/zinc/65/31/05/571653105.db2.gz QDZXQSVSHWXPNI-URLMMPGGSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225158526 571653132 /nfs/dbraw/zinc/65/31/32/571653132.db2.gz RMHWUJVOMGOLNF-WDYNHAJCSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225158392 571653139 /nfs/dbraw/zinc/65/31/39/571653139.db2.gz DFMARFHYBFTMHA-URLMMPGGSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225160509 571653331 /nfs/dbraw/zinc/65/33/31/571653331.db2.gz LHLOSULIHOBJAF-CONSDPRKSA-N 0 0 552.748 6.389 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225162356 571653496 /nfs/dbraw/zinc/65/34/96/571653496.db2.gz CNFZOSVXALJHDX-XZWHSSHBSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225163854 571653681 /nfs/dbraw/zinc/65/36/81/571653681.db2.gz YQYKKJNKOVZPKZ-IZLXSDGUSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000225180053 571655191 /nfs/dbraw/zinc/65/51/91/571655191.db2.gz LJVJCAFFNUOIGM-IZLXSDGUSA-N 0 0 526.666 5.418 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1OC ZINC000225181745 571655317 /nfs/dbraw/zinc/65/53/17/571655317.db2.gz NAPNFIYGOWBWEY-WDYNHAJCSA-N 0 0 576.122 6.382 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1OC ZINC000225181787 571655397 /nfs/dbraw/zinc/65/53/97/571655397.db2.gz NAPNFIYGOWBWEY-URLMMPGGSA-N 0 0 576.122 6.382 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1OC ZINC000225186269 571655819 /nfs/dbraw/zinc/65/58/19/571655819.db2.gz XJGWIAVAJUZACX-URLMMPGGSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1OC ZINC000225186108 571655837 /nfs/dbraw/zinc/65/58/37/571655837.db2.gz LCFPVCMSAYICRM-URLMMPGGSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC ZINC000225187234 571655952 /nfs/dbraw/zinc/65/59/52/571655952.db2.gz PJVDZNSDERNUKJ-WDYNHAJCSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1OC ZINC000225187823 571655973 /nfs/dbraw/zinc/65/59/73/571655973.db2.gz AZTUBOINVLAWNV-FQLXRVMXSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1OC ZINC000225188895 571656074 /nfs/dbraw/zinc/65/60/74/571656074.db2.gz GXYVXXAOLQZFDE-LQJZCPKCSA-N 0 0 596.801 6.870 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC ZINC000225189278 571656117 /nfs/dbraw/zinc/65/61/17/571656117.db2.gz KLKMWQWPYMFIKZ-WDYNHAJCSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1OC ZINC000225189425 571656144 /nfs/dbraw/zinc/65/61/44/571656144.db2.gz CQLNMGHUQBTRPQ-CONSDPRKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1OC ZINC000225189467 571656155 /nfs/dbraw/zinc/65/61/55/571656155.db2.gz CQLNMGHUQBTRPQ-JSOSNVBQSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1OC ZINC000225192344 571656435 /nfs/dbraw/zinc/65/64/35/571656435.db2.gz ZJLQPMZROLBLJM-FQLXRVMXSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000225202047 571657394 /nfs/dbraw/zinc/65/73/94/571657394.db2.gz LZYBSLAAKLDGCI-URLMMPGGSA-N 0 0 541.677 5.724 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1OC ZINC000225201830 571657404 /nfs/dbraw/zinc/65/74/04/571657404.db2.gz PFMVHZZHMVXEFQ-IZLXSDGUSA-N 0 0 511.651 5.715 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000225202082 571657414 /nfs/dbraw/zinc/65/74/14/571657414.db2.gz LZYBSLAAKLDGCI-FQLXRVMXSA-N 0 0 541.677 5.724 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000225206111 571657846 /nfs/dbraw/zinc/65/78/46/571657846.db2.gz JDQGKJNHHLNHLV-WUFINQPMSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000225207105 571657945 /nfs/dbraw/zinc/65/79/45/571657945.db2.gz OZHIKBMYOQAGFD-NSOVKSMOSA-N 0 0 527.694 5.475 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1 ZINC000225213418 571658489 /nfs/dbraw/zinc/65/84/89/571658489.db2.gz HBAJUSCWEBOWTC-WDYNHAJCSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1 ZINC000225213382 571658515 /nfs/dbraw/zinc/65/85/15/571658515.db2.gz HBAJUSCWEBOWTC-VMPREFPWSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000225214444 571658599 /nfs/dbraw/zinc/65/85/99/571658599.db2.gz USOQTCJIXHCFAD-IZLXSDGUSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000225217238 571658900 /nfs/dbraw/zinc/65/89/00/571658900.db2.gz VFXYPGZFLZPNGL-XZWHSSHBSA-N 0 0 554.720 5.317 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000225218496 571659045 /nfs/dbraw/zinc/65/90/45/571659045.db2.gz RXLMDHMIEZBDAW-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000225218376 571659057 /nfs/dbraw/zinc/65/90/57/571659057.db2.gz RXLMDHMIEZBDAW-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000225219895 571659261 /nfs/dbraw/zinc/65/92/61/571659261.db2.gz RYFSLJFNLSKUHX-VMPREFPWSA-N 0 0 586.674 5.168 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225220168 571659332 /nfs/dbraw/zinc/65/93/32/571659332.db2.gz FNGJEVLPKAUZAX-SMCANUKXSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000225230737 571660477 /nfs/dbraw/zinc/66/04/77/571660477.db2.gz HYULPJZXCRHBBD-VMPREFPWSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000225235079 571660894 /nfs/dbraw/zinc/66/08/94/571660894.db2.gz GWEVAXOCOFRBGD-NSOVKSMOSA-N 0 0 562.139 6.129 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000225242514 571661750 /nfs/dbraw/zinc/66/17/50/571661750.db2.gz VKMWFJCJEREDMA-VSGBNLITSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000225242934 571661781 /nfs/dbraw/zinc/66/17/81/571661781.db2.gz IIDGXWGEAKFSAN-WUFINQPMSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000225243336 571661835 /nfs/dbraw/zinc/66/18/35/571661835.db2.gz WNPCUFKPAIUADC-NSOVKSMOSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000225243905 571661883 /nfs/dbraw/zinc/66/18/83/571661883.db2.gz MXYUGWOWTABIDH-WUFINQPMSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000225244914 571662007 /nfs/dbraw/zinc/66/20/07/571662007.db2.gz GPVOGLWATKKZHE-LOYHVIPDSA-N 0 0 589.165 5.971 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000225245207 571662047 /nfs/dbraw/zinc/66/20/47/571662047.db2.gz RSMREKUSXDDLFJ-WUFINQPMSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000225245371 571662084 /nfs/dbraw/zinc/66/20/84/571662084.db2.gz OLXPCEKORZRILF-WUFINQPMSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000225245606 571662087 /nfs/dbraw/zinc/66/20/87/571662087.db2.gz PVTRAGFILILILM-KYJUHHDHSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000225246518 571662181 /nfs/dbraw/zinc/66/21/81/571662181.db2.gz PGMCVDOUYBCKIN-FQLXRVMXSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000225246731 571662209 /nfs/dbraw/zinc/66/22/09/571662209.db2.gz MUEUKYBPKBPLQR-VMPREFPWSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000225246808 571662222 /nfs/dbraw/zinc/66/22/22/571662222.db2.gz MUEUKYBPKBPLQR-URLMMPGGSA-N 0 0 621.119 5.821 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225247606 571662255 /nfs/dbraw/zinc/66/22/55/571662255.db2.gz RLHASKUOKUBNMX-VEEOACQBSA-N 0 0 588.177 6.775 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000225247472 571662264 /nfs/dbraw/zinc/66/22/64/571662264.db2.gz YXFJWMZLPKHNCC-URLMMPGGSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000225247435 571662282 /nfs/dbraw/zinc/66/22/82/571662282.db2.gz YXFJWMZLPKHNCC-WDYNHAJCSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000225247816 571662334 /nfs/dbraw/zinc/66/23/34/571662334.db2.gz NRDANOOPJLBGMV-VSGBNLITSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000225257892 571663426 /nfs/dbraw/zinc/66/34/26/571663426.db2.gz KFLZVXZLKTWUGW-WDYNHAJCSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225261450 571663801 /nfs/dbraw/zinc/66/38/01/571663801.db2.gz QCRZNHSHGGYMNT-SAIUNTKASA-N 0 0 610.784 5.396 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225261309 571663816 /nfs/dbraw/zinc/66/38/16/571663816.db2.gz PIRSMIMXTQWTCL-WDYNHAJCSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225267541 571664567 /nfs/dbraw/zinc/66/45/67/571664567.db2.gz PPRQLVLIUKUGAT-FQLXRVMXSA-N 0 0 525.678 5.560 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225268242 571664680 /nfs/dbraw/zinc/66/46/80/571664680.db2.gz GDPHTAUNAZLQLU-JSOSNVBQSA-N 0 0 553.732 6.122 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225268365 571664694 /nfs/dbraw/zinc/66/46/94/571664694.db2.gz ROGDLOHSNZJYKW-FIRIVFDPSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225268755 571664720 /nfs/dbraw/zinc/66/47/20/571664720.db2.gz HTIUKQLKRAMXPW-URLMMPGGSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225269026 571664765 /nfs/dbraw/zinc/66/47/65/571664765.db2.gz YMPOXIZHTJKKSQ-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271227 571665085 /nfs/dbraw/zinc/66/50/85/571665085.db2.gz NFYRIIMWOKKHPV-JHOUSYSJSA-N 0 0 596.801 6.406 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225272345 571665163 /nfs/dbraw/zinc/66/51/63/571665163.db2.gz CJJCUEPNWGREIE-KYJUHHDHSA-N 0 0 569.687 5.288 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225272624 571665188 /nfs/dbraw/zinc/66/51/88/571665188.db2.gz KXKMMMVGURBFLP-XLJNKUFUSA-N 0 0 567.759 6.485 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225273000 571665251 /nfs/dbraw/zinc/66/52/51/571665251.db2.gz LSKRNWLWKPPUEP-KYJUHHDHSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225273987 571665386 /nfs/dbraw/zinc/66/53/86/571665386.db2.gz BZLOMYFRIMBESM-WDYNHAJCSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225274220 571665392 /nfs/dbraw/zinc/66/53/92/571665392.db2.gz LEWDHEMWLBDLCZ-VSGBNLITSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1OC ZINC000225293980 571667654 /nfs/dbraw/zinc/66/76/54/571667654.db2.gz LFRYMZZEAZGWPM-CZNDPXEESA-N 0 0 591.737 6.413 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225295333 571667818 /nfs/dbraw/zinc/66/78/18/571667818.db2.gz CHHZHKZYNSLYRU-CONSDPRKSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1OC ZINC000225295504 571667840 /nfs/dbraw/zinc/66/78/40/571667840.db2.gz XUXMWTZIFVKXQQ-VMPREFPWSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1OC ZINC000225295462 571667845 /nfs/dbraw/zinc/66/78/45/571667845.db2.gz MUUXASTUZDLSPZ-FQLXRVMXSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1OC ZINC000225295839 571667953 /nfs/dbraw/zinc/66/79/53/571667953.db2.gz GVZKXOCMPKSLAU-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1OC ZINC000225298144 571668291 /nfs/dbraw/zinc/66/82/91/571668291.db2.gz AQUIIMBXYXWTHP-WDYNHAJCSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1OC ZINC000225298609 571668386 /nfs/dbraw/zinc/66/83/86/571668386.db2.gz PYBRHYDRFIXGDL-IOWSJCHKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1OC ZINC000225298646 571668408 /nfs/dbraw/zinc/66/84/08/571668408.db2.gz PYBRHYDRFIXGDL-FIRIVFDPSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)ccc1OC ZINC000225309097 571669755 /nfs/dbraw/zinc/66/97/55/571669755.db2.gz SSMNXJGKJWQANW-LOYHVIPDSA-N 0 0 599.713 5.046 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)ccc1OC ZINC000225309064 571669793 /nfs/dbraw/zinc/66/97/93/571669793.db2.gz SSMNXJGKJWQANW-IHLOFXLRSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NC(C)=O ZINC000225318457 571672230 /nfs/dbraw/zinc/67/22/30/571672230.db2.gz GJHGBGFTKJGIQZ-URLMMPGGSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NC(C)=O ZINC000225318650 571672526 /nfs/dbraw/zinc/67/25/26/571672526.db2.gz DBWZMDMTNOXTOJ-FQLXRVMXSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NC(C)=O ZINC000225319467 571673230 /nfs/dbraw/zinc/67/32/30/571673230.db2.gz SUYUCFNQINRORV-IZLXSDGUSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NC(C)=O ZINC000225320813 571675773 /nfs/dbraw/zinc/67/57/73/571675773.db2.gz GMEJYHYWSMOULB-LOYHVIPDSA-N 0 0 554.720 5.699 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NC(C)=O ZINC000225321082 571676326 /nfs/dbraw/zinc/67/63/26/571676326.db2.gz VYKYJIYOADOQDJ-VSGBNLITSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NC(C)=O ZINC000225322168 571677506 /nfs/dbraw/zinc/67/75/06/571677506.db2.gz FCCFWZYJFRWGFQ-BVRKHOPBSA-N 0 0 553.732 6.559 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225322535 571678135 /nfs/dbraw/zinc/67/81/35/571678135.db2.gz FFPGGKADXNEYRM-FQLXRVMXSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NC(C)=O ZINC000225323265 571679034 /nfs/dbraw/zinc/67/90/34/571679034.db2.gz ZJQPFACAOQSMOU-FQLXRVMXSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NC(C)=O ZINC000225323109 571679253 /nfs/dbraw/zinc/67/92/53/571679253.db2.gz FEXUKFVMXLWJFS-FQLXRVMXSA-N 0 0 576.122 6.295 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000225332207 571690587 /nfs/dbraw/zinc/69/05/87/571690587.db2.gz DUOBBCRHYZXJCO-VWLOTQADSA-N 0 0 533.738 5.997 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225336213 571694658 /nfs/dbraw/zinc/69/46/58/571694658.db2.gz IDEMLFXNNNERIT-ACHIHNKUSA-N 0 0 567.759 6.290 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225343416 571702943 /nfs/dbraw/zinc/70/29/43/571702943.db2.gz SEQGNROXCINALJ-LOYHVIPDSA-N 0 0 510.707 7.016 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O ZINC000260795851 571704012 /nfs/dbraw/zinc/70/40/12/571704012.db2.gz MBQMSXUSBUFYSO-PZJWPPBQSA-N 0 0 506.112 5.308 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225344382 571704098 /nfs/dbraw/zinc/70/40/98/571704098.db2.gz ZGAWIXQTPBZQAA-NSOVKSMOSA-N 0 0 517.098 7.107 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225345446 571705167 /nfs/dbraw/zinc/70/51/67/571705167.db2.gz HAGFTQNZXWRHEI-VMPREFPWSA-N 0 0 512.679 6.462 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225345340 571705296 /nfs/dbraw/zinc/70/52/96/571705296.db2.gz HAGFTQNZXWRHEI-FQLXRVMXSA-N 0 0 512.679 6.462 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346370 571706223 /nfs/dbraw/zinc/70/62/23/571706223.db2.gz HVPQXZLHDVPVLY-AJQTZOPKSA-N 0 0 553.776 7.300 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225347343 571707715 /nfs/dbraw/zinc/70/77/15/571707715.db2.gz OMRTWRQXAOAGOH-XZWHSSHBSA-N 0 0 510.707 7.070 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225348122 571708962 /nfs/dbraw/zinc/70/89/62/571708962.db2.gz QEKIOUQVVMQODX-WDYNHAJCSA-N 0 0 557.676 6.370 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225348303 571709054 /nfs/dbraw/zinc/70/90/54/571709054.db2.gz AQVHPNBEGBEXAQ-URLMMPGGSA-N 0 0 531.125 7.415 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225362499 571724639 /nfs/dbraw/zinc/72/46/39/571724639.db2.gz XOMZGMAXPFWBQI-HEVIKAOCSA-N 0 0 593.797 6.824 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225365714 571729444 /nfs/dbraw/zinc/72/94/44/571729444.db2.gz IQQFOIGVMRDLBD-IHLOFXLRSA-N 0 0 559.135 7.347 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225368834 571733319 /nfs/dbraw/zinc/73/33/19/571733319.db2.gz PWCCETGLLQCHMV-IOWSJCHKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225370810 571735706 /nfs/dbraw/zinc/73/57/06/571735706.db2.gz BCODATOHMPXQJR-IHLOFXLRSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Br ZINC000225370532 571735744 /nfs/dbraw/zinc/73/57/44/571735744.db2.gz ANKMEBMVHDWSPD-XZWHSSHBSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225371078 571736168 /nfs/dbraw/zinc/73/61/68/571736168.db2.gz GBUBGMFSZSBXFO-LOYHVIPDSA-N 0 0 524.690 6.693 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225371450 571736663 /nfs/dbraw/zinc/73/66/63/571736663.db2.gz ISDMIVGFQDESLY-IOWSJCHKSA-N 0 0 538.717 6.996 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225371385 571736853 /nfs/dbraw/zinc/73/68/53/571736853.db2.gz ISDMIVGFQDESLY-FIRIVFDPSA-N 0 0 538.717 6.996 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225372945 571738506 /nfs/dbraw/zinc/73/85/06/571738506.db2.gz PFQMAYCJCDNBEA-CDZUIXILSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225373207 571739195 /nfs/dbraw/zinc/73/91/95/571739195.db2.gz PTVDGZSUPOFULP-IOWSJCHKSA-N 0 0 552.700 6.716 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225373534 571739702 /nfs/dbraw/zinc/73/97/02/571739702.db2.gz QQPQAFYZQQAVRP-CONSDPRKSA-N 0 0 557.163 7.949 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ncccc1C ZINC000225374752 571741050 /nfs/dbraw/zinc/74/10/50/571741050.db2.gz ZDDYJJUYEVWVCC-FQLXRVMXSA-N 0 0 523.706 6.691 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ncccc1C ZINC000225374784 571741133 /nfs/dbraw/zinc/74/11/33/571741133.db2.gz ZDDYJJUYEVWVCC-WDYNHAJCSA-N 0 0 523.706 6.691 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ncccc1C ZINC000225374849 571741142 /nfs/dbraw/zinc/74/11/42/571741142.db2.gz ZDDYJJUYEVWVCC-VMPREFPWSA-N 0 0 523.706 6.691 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225382800 571750939 /nfs/dbraw/zinc/75/09/39/571750939.db2.gz IWWDTTYXLVNTLY-LOYHVIPDSA-N 0 0 524.690 6.688 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260851133 571751377 /nfs/dbraw/zinc/75/13/77/571751377.db2.gz GWEVAXOCOFRBGD-WUFINQPMSA-N 0 0 562.139 6.129 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225383172 571751448 /nfs/dbraw/zinc/75/14/48/571751448.db2.gz QJWFSMVAQXCJLB-CONSDPRKSA-N 0 0 566.727 6.774 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851129 571751469 /nfs/dbraw/zinc/75/14/69/571751469.db2.gz GOGWGMIQBQCLRE-URLMMPGGSA-N 0 0 576.166 6.377 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851206 571751473 /nfs/dbraw/zinc/75/14/73/571751473.db2.gz IUKGOJHBYGVXQE-WUFINQPMSA-N 0 0 564.130 6.507 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225383077 571751513 /nfs/dbraw/zinc/75/15/13/571751513.db2.gz QJWFSMVAQXCJLB-FIRIVFDPSA-N 0 0 566.727 6.774 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852537 571752902 /nfs/dbraw/zinc/75/29/02/571752902.db2.gz RJWALWONKKGIKA-ACHIHNKUSA-N 0 0 596.200 7.521 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260852562 571752956 /nfs/dbraw/zinc/75/29/56/571752956.db2.gz RZYZPQZUBHPGJT-IZLXSDGUSA-N 0 0 511.695 5.715 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21 ZINC000260852663 571753340 /nfs/dbraw/zinc/75/33/40/571753340.db2.gz WEEZSWKSEHWYJH-RRPNLBNLSA-N 0 0 532.113 5.978 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NC(C)=O ZINC000260852676 571753384 /nfs/dbraw/zinc/75/33/84/571753384.db2.gz WQSVIKYGUIGABE-WUFINQPMSA-N 0 0 562.139 6.511 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NC(C)=O ZINC000260852672 571753539 /nfs/dbraw/zinc/75/35/39/571753539.db2.gz WQSVIKYGUIGABE-VSGBNLITSA-N 0 0 562.139 6.511 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl ZINC000225395024 571764384 /nfs/dbraw/zinc/76/43/84/571764384.db2.gz ADWOVFGJRLFCTL-FTJBHMTQSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br ZINC000225395526 571764674 /nfs/dbraw/zinc/76/46/74/571764674.db2.gz GQOMXXIOENUUCV-CLJLJLNGSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225395946 571765308 /nfs/dbraw/zinc/76/53/08/571765308.db2.gz XMBQQVILERWGIK-IZZNHLLZSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225397849 571767717 /nfs/dbraw/zinc/76/77/17/571767717.db2.gz MYIMJDVIILHRSO-CLJLJLNGSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225397891 571767783 /nfs/dbraw/zinc/76/77/83/571767783.db2.gz MYIMJDVIILHRSO-FTJBHMTQSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225399807 571769356 /nfs/dbraw/zinc/76/93/56/571769356.db2.gz MHTHEZMPHFDPSP-RRPNLBNLSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225399289 571769435 /nfs/dbraw/zinc/76/94/35/571769435.db2.gz PYVSHXKQUDZMJR-SVBPBHIXSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225416813 571784199 /nfs/dbraw/zinc/78/41/99/571784199.db2.gz FBSWHWWMSJCZEO-RRPNLBNLSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NS(C)(=O)=O ZINC000225423856 571789912 /nfs/dbraw/zinc/78/99/12/571789912.db2.gz ZKVNLXLYFFSWLL-FIRIVFDPSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NS(C)(=O)=O ZINC000225424278 571790538 /nfs/dbraw/zinc/79/05/38/571790538.db2.gz NBZLDMRXCCAYPK-SXOMAYOGSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225424657 571791196 /nfs/dbraw/zinc/79/11/96/571791196.db2.gz NAKFJGCBSSHFBG-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225425865 571791936 /nfs/dbraw/zinc/79/19/36/571791936.db2.gz BJQLHHHQQJJIDV-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225425789 571792024 /nfs/dbraw/zinc/79/20/24/571792024.db2.gz BJQLHHHQQJJIDV-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426282 571792283 /nfs/dbraw/zinc/79/22/83/571792283.db2.gz NKYQESCQRWAUOX-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225425925 571792456 /nfs/dbraw/zinc/79/24/56/571792456.db2.gz PYPLDPJSMDORSD-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428495 571795803 /nfs/dbraw/zinc/79/58/03/571795803.db2.gz SGXCGGCVCQTPQV-RRPNLBNLSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429445 571796911 /nfs/dbraw/zinc/79/69/11/571796911.db2.gz QORJCYVSKGCVEM-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430240 571797842 /nfs/dbraw/zinc/79/78/42/571797842.db2.gz YDTSNQBPAGMYPP-MFMCTBQISA-N 0 0 589.787 5.972 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225430465 571797851 /nfs/dbraw/zinc/79/78/51/571797851.db2.gz BFFDSSPEACIQDY-VSGBNLITSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225430420 571797928 /nfs/dbraw/zinc/79/79/28/571797928.db2.gz BFFDSSPEACIQDY-WUFINQPMSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430286 571797957 /nfs/dbraw/zinc/79/79/57/571797957.db2.gz YDTSNQBPAGMYPP-PQHLKRTFSA-N 0 0 589.787 5.972 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430992 571798342 /nfs/dbraw/zinc/79/83/42/571798342.db2.gz MCBAEDRELUNCAC-VSGBNLITSA-N 0 0 596.178 6.008 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225453102 571824452 /nfs/dbraw/zinc/82/44/52/571824452.db2.gz XYIJDCWUOCZHBN-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225455432 571827153 /nfs/dbraw/zinc/82/71/53/571827153.db2.gz XLCVRUSNPLLLOW-SVBPBHIXSA-N 0 0 547.706 5.052 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456458 571828130 /nfs/dbraw/zinc/82/81/30/571828130.db2.gz BJKAXWGKQORDHK-FIRIVFDPSA-N 0 0 602.830 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225457168 571828800 /nfs/dbraw/zinc/82/88/00/571828800.db2.gz DDTIHQSFVHUGIH-VMPREFPWSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225456942 571828816 /nfs/dbraw/zinc/82/88/16/571828816.db2.gz JXPMNRJFODYGAW-WDYNHAJCSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458350 571829948 /nfs/dbraw/zinc/82/99/48/571829948.db2.gz CMIIOXLMUGEDOV-IZLXSDGUSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458424 571830463 /nfs/dbraw/zinc/83/04/63/571830463.db2.gz CMIIOXLMUGEDOV-NSOVKSMOSA-N 0 0 596.178 6.008 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458680 571830531 /nfs/dbraw/zinc/83/05/31/571830531.db2.gz UEKJLGZGAVJQCC-DGPALRBDSA-N 0 0 573.788 6.217 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225459103 571830995 /nfs/dbraw/zinc/83/09/95/571830995.db2.gz UZYTXXZGXLAKOZ-KAYWLYCHSA-N 0 0 546.722 5.050 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260910009 571836393 /nfs/dbraw/zinc/83/63/93/571836393.db2.gz BLDPLUUCXMSLMJ-CLJLJLNGSA-N 0 0 505.087 6.552 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260909935 571836591 /nfs/dbraw/zinc/83/65/91/571836591.db2.gz AWRDEDZDAMUUIH-WUFINQPMSA-N 0 0 549.140 6.569 40 10 KKCBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260911915 571840803 /nfs/dbraw/zinc/84/08/03/571840803.db2.gz DHLBLBRDANVQAI-RRPNLBNLSA-N 0 0 503.115 7.161 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260912133 571841114 /nfs/dbraw/zinc/84/11/14/571841114.db2.gz FGXJIOOQCXNPSM-SAIUNTKASA-N 0 0 589.765 6.908 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260912125 571841202 /nfs/dbraw/zinc/84/12/02/571841202.db2.gz FGXJIOOQCXNPSM-JHOUSYSJSA-N 0 0 589.765 6.908 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000260914187 571843880 /nfs/dbraw/zinc/84/38/80/571843880.db2.gz GBCFJMKVWHZQQA-BJUYILBYSA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000260914321 571844349 /nfs/dbraw/zinc/84/43/49/571844349.db2.gz GJYCMRTZEGGRDN-AGILITTLSA-N 0 0 500.590 5.659 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000260916425 571848527 /nfs/dbraw/zinc/84/85/27/571848527.db2.gz IVCDCTNRRCANGH-BJUYILBYSA-N 0 0 618.678 8.764 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NS(C)(=O)=O ZINC000225479958 571850587 /nfs/dbraw/zinc/85/05/87/571850587.db2.gz OGXYUAWNXVASAT-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480342 571850590 /nfs/dbraw/zinc/85/05/90/571850590.db2.gz UNWVDXGBZWTDFM-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21 ZINC000260918227 571852290 /nfs/dbraw/zinc/85/22/90/571852290.db2.gz LKIMJHQFNJLDRA-DQEYMECFSA-N 0 0 509.506 7.197 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482453 571853181 /nfs/dbraw/zinc/85/31/81/571853181.db2.gz LRNNRJIHCSSAAB-RRPNLBNLSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483009 571853610 /nfs/dbraw/zinc/85/36/10/571853610.db2.gz QNBPRBMNFPNRAZ-PXJZQJOASA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NS(C)(=O)=O ZINC000225483378 571853694 /nfs/dbraw/zinc/85/36/94/571853694.db2.gz QUYQFUIKLBKFMG-DGPALRBDSA-N 0 0 589.787 5.972 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225484576 571855313 /nfs/dbraw/zinc/85/53/13/571855313.db2.gz NHXQNUMZSNQJML-MFMCTBQISA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1Br ZINC000260921254 571856986 /nfs/dbraw/zinc/85/69/86/571856986.db2.gz PADIZXVDRCWAAN-IZZNHLLZSA-N 0 0 567.984 7.615 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260922581 571859741 /nfs/dbraw/zinc/85/97/41/571859741.db2.gz QCEFGWNWQHHTAT-JSOSNVBQSA-N 0 0 567.158 8.336 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260922597 571859776 /nfs/dbraw/zinc/85/97/76/571859776.db2.gz QIXYXNYDQJWNBJ-KAYWLYCHSA-N 0 0 519.114 6.548 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000260924239 571862218 /nfs/dbraw/zinc/86/22/18/571862218.db2.gz SNKCCSAINRFIQC-OYFHWARDSA-N 0 0 585.221 7.505 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21 ZINC000260925509 571864522 /nfs/dbraw/zinc/86/45/22/571864522.db2.gz UTGMTRWIDBNMFI-WUFINQPMSA-N 0 0 517.142 7.667 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000260925608 571865103 /nfs/dbraw/zinc/86/51/03/571865103.db2.gz WCKCYQGBWUGISZ-AJQTZOPKSA-N 0 0 597.184 8.345 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000260925634 571865137 /nfs/dbraw/zinc/86/51/37/571865137.db2.gz WIUHPIAHLSPGBS-QGKSIAKZSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)C ZINC000260927699 571869884 /nfs/dbraw/zinc/86/98/84/571869884.db2.gz ZMFIJKHRSOWGKU-URLMMPGGSA-N 0 0 539.749 6.793 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225503942 571874350 /nfs/dbraw/zinc/87/43/50/571874350.db2.gz SZUAIQFLJVMQNJ-SVBPBHIXSA-N 0 0 549.622 6.119 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225504066 571874375 /nfs/dbraw/zinc/87/43/75/571874375.db2.gz UTMNJJYRCXXJLQ-URLMMPGGSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225505219 571875521 /nfs/dbraw/zinc/87/55/21/571875521.db2.gz MKQAOOGIXLJCSH-KAYWLYCHSA-N 0 0 560.521 5.863 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225505985 571876291 /nfs/dbraw/zinc/87/62/91/571876291.db2.gz UYQVCQPHOXEEBT-IZLXSDGUSA-N 0 0 511.651 5.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225506706 571877664 /nfs/dbraw/zinc/87/76/64/571877664.db2.gz GKYFMHLARCEJEO-WDYNHAJCSA-N 0 0 524.694 5.166 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506833 571877674 /nfs/dbraw/zinc/87/76/74/571877674.db2.gz GVVFBGHZUDTUEQ-FIRIVFDPSA-N 0 0 552.748 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225507203 571878077 /nfs/dbraw/zinc/87/80/77/571878077.db2.gz ZUOJYMZHFUCCGN-RRPNLBNLSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225507286 571878113 /nfs/dbraw/zinc/87/81/13/571878113.db2.gz XUZCGHHFAGKWJK-FQLXRVMXSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225506985 571878150 /nfs/dbraw/zinc/87/81/50/571878150.db2.gz WMVNDZYKRKFMIY-KAYWLYCHSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225508657 571879962 /nfs/dbraw/zinc/87/99/62/571879962.db2.gz UKHNNWJYYTYHIX-IZLXSDGUSA-N 0 0 530.097 6.062 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508931 571880128 /nfs/dbraw/zinc/88/01/28/571880128.db2.gz PRTDJRFMUGQHSJ-IZLXSDGUSA-N 0 0 546.096 5.762 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225522038 571890362 /nfs/dbraw/zinc/89/03/62/571890362.db2.gz AXPNOELXSGTNMK-ROJLCIKYSA-N 0 0 580.758 5.327 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225528107 571895101 /nfs/dbraw/zinc/89/51/01/571895101.db2.gz RMNSEBVMYKMQBU-VSGBNLITSA-N 0 0 563.649 6.509 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225528916 571895456 /nfs/dbraw/zinc/89/54/56/571895456.db2.gz ZXFUJOMMVYOJKQ-WUFINQPMSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000225528696 571895519 /nfs/dbraw/zinc/89/55/19/571895519.db2.gz BPJLSZVNIVJHJZ-IZLXSDGUSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000225528561 571895536 /nfs/dbraw/zinc/89/55/36/571895536.db2.gz LPWNDELBNTWVTC-VSGBNLITSA-N 0 0 513.642 5.630 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225529543 571896459 /nfs/dbraw/zinc/89/64/59/571896459.db2.gz JAHJDOOMPRMQJL-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225530025 571896872 /nfs/dbraw/zinc/89/68/72/571896872.db2.gz RBFYQGBKFORTAE-IHLOFXLRSA-N 0 0 538.721 5.556 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225529989 571896911 /nfs/dbraw/zinc/89/69/11/571896911.db2.gz RBFYQGBKFORTAE-LOYHVIPDSA-N 0 0 538.721 5.556 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225530936 571897663 /nfs/dbraw/zinc/89/76/63/571897663.db2.gz AQEGECCNBBRCED-URLMMPGGSA-N 0 0 539.661 5.219 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225530603 571897669 /nfs/dbraw/zinc/89/76/69/571897669.db2.gz MBTWPQVUCZNEOV-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225530784 571897808 /nfs/dbraw/zinc/89/78/08/571897808.db2.gz DEVQWPWVBQGESX-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225530913 571897811 /nfs/dbraw/zinc/89/78/11/571897811.db2.gz AQEGECCNBBRCED-WDYNHAJCSA-N 0 0 539.661 5.219 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225548143 571911069 /nfs/dbraw/zinc/91/10/69/571911069.db2.gz OVKSSQPUDLSJKD-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225548997 571912200 /nfs/dbraw/zinc/91/22/00/571912200.db2.gz ONZXHSPUGOXMLX-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000225550657 571913697 /nfs/dbraw/zinc/91/36/97/571913697.db2.gz WOKCIHZNUDAWAI-IOWSJCHKSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000225550623 571913735 /nfs/dbraw/zinc/91/37/35/571913735.db2.gz WOKCIHZNUDAWAI-JSOSNVBQSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225551371 571914146 /nfs/dbraw/zinc/91/41/46/571914146.db2.gz MWDXYGIAPSAXRK-KYJUHHDHSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225552202 571915522 /nfs/dbraw/zinc/91/55/22/571915522.db2.gz UWZIQXOZJYJNDO-JSOSNVBQSA-N 0 0 567.715 5.782 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225553678 571916196 /nfs/dbraw/zinc/91/61/96/571916196.db2.gz OJTIQZYZWRLHPA-LOYHVIPDSA-N 0 0 538.721 5.756 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000225566272 571928301 /nfs/dbraw/zinc/92/83/01/571928301.db2.gz QEFGQYBKIOIBMX-NSOVKSMOSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000225566242 571928401 /nfs/dbraw/zinc/92/84/01/571928401.db2.gz QEFGQYBKIOIBMX-WUFINQPMSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000225569588 571931277 /nfs/dbraw/zinc/93/12/77/571931277.db2.gz VQRHAHXYUNBUOT-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225570094 571932077 /nfs/dbraw/zinc/93/20/77/571932077.db2.gz IEBTUAZJCJJEON-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225571232 571932719 /nfs/dbraw/zinc/93/27/19/571932719.db2.gz BUBWDGQQCRQEHV-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000225571159 571932792 /nfs/dbraw/zinc/93/27/92/571932792.db2.gz GAHOEESZOJCAGU-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225573219 571933904 /nfs/dbraw/zinc/93/39/04/571933904.db2.gz OKYMYWPVBOPWDQ-VEEOACQBSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225573509 571934273 /nfs/dbraw/zinc/93/42/73/571934273.db2.gz QIVYHRINOBVLMG-KYJUHHDHSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225573793 571934292 /nfs/dbraw/zinc/93/42/92/571934292.db2.gz PIWLNYYZAZPXCO-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225573426 571934478 /nfs/dbraw/zinc/93/44/78/571934478.db2.gz HTPMJSSWMBEKHL-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225573864 571934751 /nfs/dbraw/zinc/93/47/51/571934751.db2.gz PXAPPHFHBWCDKB-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ncccc1C ZINC000225574910 571935026 /nfs/dbraw/zinc/93/50/26/571935026.db2.gz RBAFOOOJNAJTGX-IZLXSDGUSA-N 0 0 524.694 5.502 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574668 571935122 /nfs/dbraw/zinc/93/51/22/571935122.db2.gz QQDXLOMPMPBIRR-XDFJSJKPSA-N 0 0 551.760 6.670 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225582574 571941638 /nfs/dbraw/zinc/94/16/38/571941638.db2.gz DMIXBYQLAOSXNK-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225584649 571943145 /nfs/dbraw/zinc/94/31/45/571943145.db2.gz RQBOCZUNICNQSV-NSOVKSMOSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000225589950 571946390 /nfs/dbraw/zinc/94/63/90/571946390.db2.gz ZXUVYOXXLOSZNU-WUFINQPMSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000225590920 571947032 /nfs/dbraw/zinc/94/70/32/571947032.db2.gz JJSRMSXKHHMGDD-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000225591713 571947641 /nfs/dbraw/zinc/94/76/41/571947641.db2.gz ZQDHIAYUMCBCSH-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000225591654 571947723 /nfs/dbraw/zinc/94/77/23/571947723.db2.gz ZQDHIAYUMCBCSH-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225591612 571947766 /nfs/dbraw/zinc/94/77/66/571947766.db2.gz IDXMLSTXVSLABT-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225593462 571949423 /nfs/dbraw/zinc/94/94/23/571949423.db2.gz YSPFWJMMBIFTJR-IZLXSDGUSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225594248 571949701 /nfs/dbraw/zinc/94/97/01/571949701.db2.gz LHCPXEGSOWCIAI-BVRKHOPBSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225594442 571949943 /nfs/dbraw/zinc/94/99/43/571949943.db2.gz JYFBJXFUZZLLFT-URLMMPGGSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225594691 571950022 /nfs/dbraw/zinc/95/00/22/571950022.db2.gz ZGCPUMRIYWVKCA-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595347 571950341 /nfs/dbraw/zinc/95/03/41/571950341.db2.gz IMXLGIXAUHXWHQ-SMCANUKXSA-N 0 0 555.723 6.500 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225603025 571956894 /nfs/dbraw/zinc/95/68/94/571956894.db2.gz VTYAQUSPGYKBOB-NSOVKSMOSA-N 0 0 529.641 5.330 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1 ZINC000225607685 571959840 /nfs/dbraw/zinc/95/98/40/571959840.db2.gz YFMUDKUDKDODIO-RRPNLBNLSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000225611045 571962885 /nfs/dbraw/zinc/96/28/85/571962885.db2.gz ZHJIZNXVYNTUBA-VSGBNLITSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cc1 ZINC000225610969 571962975 /nfs/dbraw/zinc/96/29/75/571962975.db2.gz FTGMKNGULKECHD-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(F)c1 ZINC000225611527 571963831 /nfs/dbraw/zinc/96/38/31/571963831.db2.gz NEODBCGQMSQORP-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccc1C ZINC000225614055 571965123 /nfs/dbraw/zinc/96/51/23/571965123.db2.gz YGQRIQMSLDDGOD-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225613811 571965137 /nfs/dbraw/zinc/96/51/37/571965137.db2.gz DEYXQRIBODCBCK-NSOVKSMOSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cccc1C ZINC000225614222 571965614 /nfs/dbraw/zinc/96/56/14/571965614.db2.gz QWYPAVNKSFUXMK-JDXGNMNLSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000225614898 571966077 /nfs/dbraw/zinc/96/60/77/571966077.db2.gz ZPCZQMFYJKGPBH-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225622248 571972889 /nfs/dbraw/zinc/97/28/89/571972889.db2.gz VIPFWRCCVDFNSO-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225624597 571976197 /nfs/dbraw/zinc/97/61/97/571976197.db2.gz WMCKKEAQPMLRGX-SZAHLOSFSA-N 0 0 608.812 5.944 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C ZINC000225628882 571980831 /nfs/dbraw/zinc/98/08/31/571980831.db2.gz OPLQJFUYZPGRBK-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225629424 571981458 /nfs/dbraw/zinc/98/14/58/571981458.db2.gz KQSBAXSXJAOECB-AJQTZOPKSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225630764 571982775 /nfs/dbraw/zinc/98/27/75/571982775.db2.gz QNIGNOKRGICYPF-FIRIVFDPSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225632246 571984163 /nfs/dbraw/zinc/98/41/63/571984163.db2.gz XPOAGARNPGKMAX-WEZIJMHWSA-N 0 0 565.787 7.033 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225633110 571985072 /nfs/dbraw/zinc/98/50/72/571985072.db2.gz KQCMNWZDVSIGQZ-CQTOTRCISA-N 0 0 565.787 6.978 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 ZINC000225638991 571990422 /nfs/dbraw/zinc/99/04/22/571990422.db2.gz ZUNAMTPCPZHBDX-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225647034 571995963 /nfs/dbraw/zinc/99/59/63/571995963.db2.gz DOYPPJMZPZAOCF-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1F ZINC000225647087 571996044 /nfs/dbraw/zinc/99/60/44/571996044.db2.gz NOKXRKKJXVTDQO-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225647555 571996519 /nfs/dbraw/zinc/99/65/19/571996519.db2.gz UINABKBJZVNCGS-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225648272 571996849 /nfs/dbraw/zinc/99/68/49/571996849.db2.gz MKBMYTVYQHMEJU-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648986 571997703 /nfs/dbraw/zinc/99/77/03/571997703.db2.gz UOYFRZUUWDZKPN-CZNDPXEESA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225648928 571997828 /nfs/dbraw/zinc/99/78/28/571997828.db2.gz JZXKHEQMWJIMTO-IOWSJCHKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225649257 571998130 /nfs/dbraw/zinc/99/81/30/571998130.db2.gz UCUQYIHEALMSQU-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225649436 571998241 /nfs/dbraw/zinc/99/82/41/571998241.db2.gz VLQKAMFDNNXIKB-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225649730 571998562 /nfs/dbraw/zinc/99/85/62/571998562.db2.gz RHPCMIWXOKASGA-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650597 571998856 /nfs/dbraw/zinc/99/88/56/571998856.db2.gz KCEBPEVAZOGAEF-KYJUHHDHSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225650255 571999035 /nfs/dbraw/zinc/99/90/35/571999035.db2.gz OTDPRTCIDDGQGH-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225657779 572004259 /nfs/dbraw/zinc/00/42/59/572004259.db2.gz BCRDSYDMAKKWEV-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225657899 572004378 /nfs/dbraw/zinc/00/43/78/572004378.db2.gz KIVCLUFHRMYMFN-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225660388 572005544 /nfs/dbraw/zinc/00/55/44/572005544.db2.gz NBUIGFDBAPLNAJ-WDYNHAJCSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225660555 572005706 /nfs/dbraw/zinc/00/57/06/572005706.db2.gz IZFPDNYWJWFAFY-CZNDPXEESA-N 0 0 610.784 5.336 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225661165 572006142 /nfs/dbraw/zinc/00/61/42/572006142.db2.gz GOGWGMIQBQCLRE-WDYNHAJCSA-N 0 0 576.166 6.377 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225665403 572009057 /nfs/dbraw/zinc/00/90/57/572009057.db2.gz GCQDOEQRXRFAFT-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225669605 572011142 /nfs/dbraw/zinc/01/11/42/572011142.db2.gz LQHNXZIEGVCWGF-LOYHVIPDSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225669578 572011198 /nfs/dbraw/zinc/01/11/98/572011198.db2.gz LQHNXZIEGVCWGF-XZWHSSHBSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000225677563 572016874 /nfs/dbraw/zinc/01/68/74/572016874.db2.gz CPXLMFDHWTYFTC-VSGBNLITSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225677869 572016879 /nfs/dbraw/zinc/01/68/79/572016879.db2.gz SMOWYRIELZNPBQ-IHLOFXLRSA-N 0 0 583.714 5.286 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225678031 572017121 /nfs/dbraw/zinc/01/71/21/572017121.db2.gz BHSPJDXOQVGOJJ-KYJUHHDHSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225682925 572020047 /nfs/dbraw/zinc/02/00/47/572020047.db2.gz MKVBLXVPGUXMDE-URLMMPGGSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225685473 572021996 /nfs/dbraw/zinc/02/19/96/572021996.db2.gz IAOLEHHZSNIZLQ-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Cl ZINC000225685976 572022450 /nfs/dbraw/zinc/02/24/50/572022450.db2.gz VOYTZEWEKMHBHA-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225686453 572022807 /nfs/dbraw/zinc/02/28/07/572022807.db2.gz SGPSCILORVREGM-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225686879 572023154 /nfs/dbraw/zinc/02/31/54/572023154.db2.gz IQVKTTMVPBHDMF-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225686856 572023238 /nfs/dbraw/zinc/02/32/38/572023238.db2.gz IQVKTTMVPBHDMF-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687318 572023496 /nfs/dbraw/zinc/02/34/96/572023496.db2.gz KERQDLAEHFPLSS-CZNDPXEESA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225687239 572023652 /nfs/dbraw/zinc/02/36/52/572023652.db2.gz BUINOWHHAYBONM-JSOSNVBQSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225688210 572024437 /nfs/dbraw/zinc/02/44/37/572024437.db2.gz VSMMVUPQCOECHM-KYJUHHDHSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225688780 572024809 /nfs/dbraw/zinc/02/48/09/572024809.db2.gz NPJOFLXILAGOBO-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689070 572024883 /nfs/dbraw/zinc/02/48/83/572024883.db2.gz AEOPTVHFMLZXHT-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225696855 572029201 /nfs/dbraw/zinc/02/92/01/572029201.db2.gz JHGIDKPVFRQOTB-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000225703997 572034888 /nfs/dbraw/zinc/03/48/88/572034888.db2.gz RTKHYKLTLQJJLH-ACHIHNKUSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1F ZINC000225704696 572035242 /nfs/dbraw/zinc/03/52/42/572035242.db2.gz ZKDWXEIQNKIUBU-ROJLCIKYSA-N 0 0 563.702 6.783 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225704660 572035295 /nfs/dbraw/zinc/03/52/95/572035295.db2.gz BIROKEFKZIVXPK-HEVIKAOCSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000225705308 572035963 /nfs/dbraw/zinc/03/59/63/572035963.db2.gz SGIYNITVEGBRPE-AJQTZOPKSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Br ZINC000225705450 572035986 /nfs/dbraw/zinc/03/59/86/572035986.db2.gz ARRXFBLBJUZSGP-ACHIHNKUSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000225705596 572036363 /nfs/dbraw/zinc/03/63/63/572036363.db2.gz VAKJYWMCVPIUFQ-ROJLCIKYSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1C ZINC000225707001 572037125 /nfs/dbraw/zinc/03/71/25/572037125.db2.gz ZREYMKFIVBMNEX-KKLWWLSJSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cccc1C ZINC000225707300 572037568 /nfs/dbraw/zinc/03/75/68/572037568.db2.gz XZEWGJPYRRGRIX-TWJUONSBSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225707478 572037625 /nfs/dbraw/zinc/03/76/25/572037625.db2.gz CCXYNMIDHSLVLZ-SAIUNTKASA-N 0 0 589.721 6.372 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1C ZINC000225708120 572037984 /nfs/dbraw/zinc/03/79/84/572037984.db2.gz ODKLTHUAYQONLN-LQJZCPKCSA-N 0 0 594.184 7.605 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708526 572038540 /nfs/dbraw/zinc/03/85/40/572038540.db2.gz OGXIJLNKLYLDPN-OQBISYOISA-N 0 0 587.793 7.514 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225715718 572044128 /nfs/dbraw/zinc/04/41/28/572044128.db2.gz PJPQSKPSOSUHGO-CZNDPXEESA-N 0 0 603.748 6.430 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000225865454 572078919 /nfs/dbraw/zinc/07/89/19/572078919.db2.gz XGEIIFIGVLFPIW-LJAQVGFWSA-N 0 0 549.737 5.411 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 ZINC000225954517 572086955 /nfs/dbraw/zinc/08/69/55/572086955.db2.gz YWGOLNJFSXSSKC-UHFFFAOYSA-N 0 0 502.688 5.736 40 10 KKCBRN C[C@H]1C[C@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954265 572087081 /nfs/dbraw/zinc/08/70/81/572087081.db2.gz OVPZYQKXHLWZPQ-GOTSBHOMSA-N 0 0 521.779 5.426 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCc3ccccc3C2)n1 ZINC000225954297 572087091 /nfs/dbraw/zinc/08/70/91/572087091.db2.gz ZVWNRCHAMJELPE-UHFFFAOYSA-N 0 0 604.828 5.453 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000226332107 572135814 /nfs/dbraw/zinc/13/58/14/572135814.db2.gz WUEXTJYZHNSMCL-IGDNOYNVSA-N 0 0 646.257 6.448 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000408526830 572158915 /nfs/dbraw/zinc/15/89/15/572158915.db2.gz CNBYBXGTIYFGHY-BLUDPRGSSA-N 0 0 515.661 8.288 40 10 KKCBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C\c3ccc(N(C)C)cc3)CCC2)ccc1OC(F)F ZINC000229936933 572172025 /nfs/dbraw/zinc/17/20/25/572172025.db2.gz QEZJCHZWBQAZNB-QMJBFUIUSA-N 0 0 642.772 6.225 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1c(C)cc(Br)cc1C ZINC000408531013 572174004 /nfs/dbraw/zinc/17/40/04/572174004.db2.gz KBAMMSWXCRVPSB-QQXSKIMKSA-N 0 0 518.499 7.252 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408531198 572175019 /nfs/dbraw/zinc/17/50/19/572175019.db2.gz NLTWSWNAICXUPI-XYGWBWBKSA-N 0 0 503.046 6.544 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NC(=O)Nc1cc(C)c(C)cc1Br ZINC000408534240 572185794 /nfs/dbraw/zinc/18/57/94/572185794.db2.gz PVXWGKIPFUMCRE-YBEGLDIGSA-N 0 0 534.252 5.873 40 10 KKCBRN Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc(C)c(Br)cc1[N+](=O)[O-] ZINC000408535480 572188600 /nfs/dbraw/zinc/18/86/00/572188600.db2.gz SVKUUVYGXMTOSD-ZROIWOOFSA-N 0 0 508.170 5.455 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(C(C)(C)C)c1O ZINC000408535803 572189796 /nfs/dbraw/zinc/18/97/96/572189796.db2.gz WNWSTMIGLAQVBZ-ODLFYWEKSA-N 0 0 538.960 7.809 40 10 KKCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408538198 572197460 /nfs/dbraw/zinc/19/74/60/572197460.db2.gz KBRAOBHEWWCONB-UHFFFAOYSA-N 0 0 547.051 7.281 40 10 KKCBRN COc1cc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538512 572198733 /nfs/dbraw/zinc/19/87/33/572198733.db2.gz OAXRPHWNACTCFG-UHFFFAOYSA-N 0 0 719.588 8.208 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(Br)c(C)c1C ZINC000408538527 572198818 /nfs/dbraw/zinc/19/88/18/572198818.db2.gz OGWQXRIYDSWALY-XYGWBWBKSA-N 0 0 518.499 7.252 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538704 572199138 /nfs/dbraw/zinc/19/91/38/572199138.db2.gz PIFZSNGTGJZMGJ-UHFFFAOYSA-N 0 0 689.164 8.489 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539465 572202604 /nfs/dbraw/zinc/20/26/04/572202604.db2.gz HWMDDGFWBXYPFQ-OGLMXYFKSA-N 0 0 546.645 5.748 40 10 KKCBRN CCOc1cc(COc2ccc(Br)cc2C=C2SC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408540276 572205071 /nfs/dbraw/zinc/20/50/71/572205071.db2.gz PMDPAICXYXYIEB-ZVHZXABRSA-N 0 0 556.503 6.495 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408540439 572205911 /nfs/dbraw/zinc/20/59/11/572205911.db2.gz RUOJEEAEYPFYRC-AFUMVMLFSA-N 0 0 660.384 6.875 40 10 KKCBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000408549410 572232158 /nfs/dbraw/zinc/23/21/58/572232158.db2.gz SILFSXCQVGNSLB-FOKLQQMPSA-N 0 0 528.392 5.046 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550038 572233275 /nfs/dbraw/zinc/23/32/75/572233275.db2.gz AUAODFLSXSKETM-IWIPYMOSSA-N 0 0 712.371 7.849 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552637 572239120 /nfs/dbraw/zinc/23/91/20/572239120.db2.gz RYHMCAXLQVZQDE-JAIQZWGSSA-N 0 0 603.300 6.978 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408553454 572240742 /nfs/dbraw/zinc/24/07/42/572240742.db2.gz WNMALBCLMGWHGZ-NVMNQCDNSA-N 0 0 549.241 7.124 40 10 KKCBRN O=C(COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408553656 572241033 /nfs/dbraw/zinc/24/10/33/572241033.db2.gz OZRBAHWXPUWTFH-HAHDFKILSA-N 0 0 576.867 7.499 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000408571628 572257282 /nfs/dbraw/zinc/25/72/82/572257282.db2.gz BYSCCHAQOMXPDD-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000408571866 572257392 /nfs/dbraw/zinc/25/73/92/572257392.db2.gz CYUGPAMLMZGOMF-MTJSOVHGSA-N 0 0 607.910 6.674 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000408572379 572257839 /nfs/dbraw/zinc/25/78/39/572257839.db2.gz GOHHLJDOBQAFRX-UUYOSTAYSA-N 0 0 529.470 6.412 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000408572738 572257983 /nfs/dbraw/zinc/25/79/83/572257983.db2.gz HZIWEGYEGMTWDP-JLPGSUDCSA-N 0 0 504.633 5.504 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c(C)c1 ZINC000408572751 572258035 /nfs/dbraw/zinc/25/80/35/572258035.db2.gz IAZIWYDKAGRUSQ-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000408573178 572258649 /nfs/dbraw/zinc/25/86/49/572258649.db2.gz IRWAFKSTQNQOQP-UCQKPKSFSA-N 0 0 523.079 6.689 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408573782 572259152 /nfs/dbraw/zinc/25/91/52/572259152.db2.gz KMANPIILRXTGCO-IWIPYMOSSA-N 0 0 599.528 6.280 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c1 ZINC000408573821 572259193 /nfs/dbraw/zinc/25/91/93/572259193.db2.gz KURHUYHKANIHLY-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408574328 572259515 /nfs/dbraw/zinc/25/95/15/572259515.db2.gz LWFVVNYRXGRJJE-HMAPJEAMSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2Cl)cc1 ZINC000408574966 572260064 /nfs/dbraw/zinc/26/00/64/572260064.db2.gz HEZPEZBBQBCJKY-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)cc1 ZINC000408575375 572260377 /nfs/dbraw/zinc/26/03/77/572260377.db2.gz KOAABAQUZNSCLB-QRVIBDJDSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408575466 572260505 /nfs/dbraw/zinc/26/05/05/572260505.db2.gz LOKCVZOMJDDRMI-MYYYXRDXSA-N 0 0 597.556 6.888 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408576628 572261321 /nfs/dbraw/zinc/26/13/21/572261321.db2.gz QDUDJPVLNLSMMA-XKZIYDEJSA-N 0 0 528.577 6.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408576741 572261404 /nfs/dbraw/zinc/26/14/04/572261404.db2.gz QUHRGCAJMNRMDA-MTJSOVHGSA-N 0 0 505.061 5.674 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408576658 572261412 /nfs/dbraw/zinc/26/14/12/572261412.db2.gz QHURAUVIXWYBTF-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN Cc1c2c3cc(-c4ccccc4)c(/N=N/c4cccc([N+](=O)[O-])c4)n3nc(C)c2c(C)n1-c1ccc(C)cc1 ZINC000252492936 572261722 /nfs/dbraw/zinc/26/17/22/572261722.db2.gz MXYCBCZSYJHLKX-ULIFNZDWSA-N 0 0 514.589 8.502 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000408577072 572261775 /nfs/dbraw/zinc/26/17/75/572261775.db2.gz RDUAXOPEGLVGQN-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000408577639 572262272 /nfs/dbraw/zinc/26/22/72/572262272.db2.gz UCHBLGCOVDWJSY-UUYOSTAYSA-N 0 0 563.022 6.778 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000408600295 572272456 /nfs/dbraw/zinc/27/24/56/572272456.db2.gz BEXSTMHTDYWBIX-ZVBGSRNCSA-N 0 0 500.592 5.674 40 10 KKCBRN C[C@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656908 572306337 /nfs/dbraw/zinc/30/63/37/572306337.db2.gz MOMULPROGOJQDD-INIQWHDASA-N 0 0 633.531 7.552 40 10 KKCBRN C[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656903 572306338 /nfs/dbraw/zinc/30/63/38/572306338.db2.gz MOMULPROGOJQDD-CAVRSCPDSA-N 0 0 633.531 7.552 40 10 KKCBRN O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408661398 572308972 /nfs/dbraw/zinc/30/89/72/572308972.db2.gz QQLDGPOHTXIJFH-FKQWZSQESA-N 0 0 633.531 7.554 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)c3)C(=O)[C@H]2C1 ZINC000408675718 572318247 /nfs/dbraw/zinc/31/82/47/572318247.db2.gz BVLMUVFALINGSV-NSOVKSMOSA-N 0 0 502.570 6.730 40 10 KKCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O ZINC000260572634 572322720 /nfs/dbraw/zinc/32/27/20/572322720.db2.gz XNRBDVOWGZVNIM-PUDRWSQFSA-N 0 0 505.684 6.479 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000260743485 572324960 /nfs/dbraw/zinc/32/49/60/572324960.db2.gz JEHVHKNJDGMNGQ-DHLKQENFSA-N 0 0 533.738 5.997 40 10 KKCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccc(Br)cc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957622 1069690495 /nfs/dbraw/zinc/69/04/95/1069690495.db2.gz PYFTXECUTMZLTR-XQNSMLJCSA-N 0 0 660.575 5.761 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687428 1069707230 /nfs/dbraw/zinc/70/72/30/1069707230.db2.gz WPPKDVLWROBQOZ-JBASAIQMSA-N 0 0 563.727 6.116 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1Cl ZINC000102681378 1069706117 /nfs/dbraw/zinc/70/61/17/1069706117.db2.gz LVUWDIGKGPWFIU-BUVRLJJBSA-N 0 0 536.078 6.976 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Cl ZINC000102686482 1069706759 /nfs/dbraw/zinc/70/67/59/1069706759.db2.gz PEARVSQXLUPGCY-LFVJCYFKSA-N 0 0 550.084 5.149 40 10 KKCBRN CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000102687585 1069707127 /nfs/dbraw/zinc/70/71/27/1069707127.db2.gz PDSKTXSBFGTOID-VIHXGXMLSA-N 0 0 511.672 6.900 40 10 KKCBRN C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)C[C@H](C)O1 ZINC000102687069 1069707152 /nfs/dbraw/zinc/70/71/52/1069707152.db2.gz FJZQEYWULUYVLH-ARSNVDHVSA-N 0 0 550.684 6.198 40 10 KKCBRN Cc1ccc(C(C)C)c(OCc2nnc(SC(=NNc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(OC(F)F)cc3)o2)c1 ZINC000103796000 1069713722 /nfs/dbraw/zinc/71/37/22/1069713722.db2.gz BXGBVQVQKPQVKS-LFJWBMGKSA-N 0 0 597.600 8.350 40 10 KKCBRN CCOC(=O)C1=C(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)S[C@H]2CCCC[C@@H]12 ZINC000106956550 1069716081 /nfs/dbraw/zinc/71/60/81/1069716081.db2.gz OCOYFUKUEYWWIM-CFQQTRSFSA-N 0 0 537.128 5.128 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2I)cc1 ZINC000408775817 1069739411 /nfs/dbraw/zinc/73/94/11/1069739411.db2.gz UZTNNKXSQYKEEW-XMHGGMMESA-N 0 0 508.315 5.979 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409087401 1069772289 /nfs/dbraw/zinc/77/22/89/1069772289.db2.gz UBKDOLHABAHBMV-NLIBPXKJSA-N 0 0 503.476 6.377 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409088311 1069772902 /nfs/dbraw/zinc/77/29/02/1069772902.db2.gz KZZVDCYKVBWXTL-CCVNUDIWSA-N 0 0 779.480 9.373 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409133108 1069784554 /nfs/dbraw/zinc/78/45/54/1069784554.db2.gz MNSWOKXXWPEGFY-BIZUNTBRSA-N 0 0 550.768 8.231 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409135529 1069786719 /nfs/dbraw/zinc/78/67/19/1069786719.db2.gz QEXQDHBYHMEJBN-MTJSOVHGSA-N 0 0 505.492 6.406 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)S1)c1ccccc1 ZINC000409137006 1069787888 /nfs/dbraw/zinc/78/78/88/1069787888.db2.gz UNOBCPLCCKJLQG-BKUYFWCQSA-N 0 0 511.372 5.568 40 10 KKCBRN O=C1[C@@H](Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142184 1069789207 /nfs/dbraw/zinc/78/92/07/1069789207.db2.gz BYDYDVSQBFMKCE-JOCHJYFZSA-N 0 0 585.347 7.446 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000409202074 1069799388 /nfs/dbraw/zinc/79/93/88/1069799388.db2.gz ZEYSNJPAMBGRCY-HMAPJEAMSA-N 0 0 567.486 5.959 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000409339118 1069805200 /nfs/dbraw/zinc/80/52/00/1069805200.db2.gz RYUUWLAUGLPQBU-LPYMAVHISA-N 0 0 607.466 6.432 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000408768458 1069872995 /nfs/dbraw/zinc/87/29/95/1069872995.db2.gz JKFNKKCSDSJZOD-SAGCDJCOSA-N 0 0 606.589 6.797 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408772500 1069885066 /nfs/dbraw/zinc/88/50/66/1069885066.db2.gz MCWGSDAKTCVCAR-YQYKVWLJSA-N 0 0 622.215 8.452 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(I)cc2)cc1 ZINC000408777775 1069895318 /nfs/dbraw/zinc/89/53/18/1069895318.db2.gz ILSZHBCSPUEQHJ-XMHGGMMESA-N 0 0 508.315 5.979 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408779884 1069901341 /nfs/dbraw/zinc/90/13/41/1069901341.db2.gz MYRWLONWQVAPQL-VEILYXNESA-N 0 0 524.617 5.897 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408780071 1069902286 /nfs/dbraw/zinc/90/22/86/1069902286.db2.gz RHOQTGIYNVVRGK-XYGWBWBKSA-N 0 0 500.526 5.029 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408780380 1069903640 /nfs/dbraw/zinc/90/36/40/1069903640.db2.gz BJYBPXANWMIFOH-JLPGSUDCSA-N 0 0 547.007 5.239 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(Nc4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)c2C)cc1 ZINC000408798954 1069933806 /nfs/dbraw/zinc/93/38/06/1069933806.db2.gz JLPFQLIVLSGOAQ-XKPNYFFISA-N 0 0 500.688 7.157 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408815898 1069971088 /nfs/dbraw/zinc/97/10/88/1069971088.db2.gz SVWHYJPDGYSLCX-UHFFFAOYSA-N 0 0 513.956 6.470 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408821024 1069995158 /nfs/dbraw/zinc/99/51/58/1069995158.db2.gz BNTKSOSTGFOECI-UHSYMONFSA-N 0 0 694.681 6.929 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408827456 1070006840 /nfs/dbraw/zinc/00/68/40/1070006840.db2.gz HNYMQNRCSUGTFK-BUEREQSYSA-N 0 0 573.314 8.373 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408830592 1070018561 /nfs/dbraw/zinc/01/85/61/1070018561.db2.gz GGBCBNITUDDDPV-PYCBVSLESA-N 0 0 585.726 5.002 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408828574 1070025910 /nfs/dbraw/zinc/02/59/10/1070025910.db2.gz NAHGGAGEDPLJPK-VSQRRKBNSA-N 0 0 717.085 7.201 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834310 1070033803 /nfs/dbraw/zinc/03/38/03/1070033803.db2.gz UIICUHRKHNZJRV-NULZLWRNSA-N 0 0 539.701 5.131 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408840235 1070042185 /nfs/dbraw/zinc/04/21/85/1070042185.db2.gz CRIKQWZSFWDJEZ-PXLXIMEGSA-N 0 0 526.228 6.445 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Br)cc2)cc1 ZINC000408846556 1070054549 /nfs/dbraw/zinc/05/45/49/1070054549.db2.gz SYUUZLLGKPFMSG-KGENOOAVSA-N 0 0 512.201 6.055 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408865370 1070082760 /nfs/dbraw/zinc/08/27/60/1070082760.db2.gz DDQJFKALIJDFDR-YVLHZVERSA-N 0 0 564.194 6.140 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408865937 1070084812 /nfs/dbraw/zinc/08/48/12/1070084812.db2.gz DWGXLHARWAGVKE-QRVIBDJDSA-N 0 0 509.433 6.582 40 10 KKCBRN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408867086 1070086866 /nfs/dbraw/zinc/08/68/66/1070086866.db2.gz IQYYSTYVUXLIGV-NLRVBDNBSA-N 0 0 539.429 6.422 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408869015 1070090713 /nfs/dbraw/zinc/09/07/13/1070090713.db2.gz QQWGKGXDTCHIQP-XDHOZWIPSA-N 0 0 618.857 5.381 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408871498 1070095900 /nfs/dbraw/zinc/09/59/00/1070095900.db2.gz YKVDBXYPYLGVCQ-UHFFFAOYSA-N 0 0 627.560 7.484 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408871453 1070096091 /nfs/dbraw/zinc/09/60/91/1070096091.db2.gz GQTQQSDKJSDRCX-UHFFFAOYSA-N 0 0 534.637 6.331 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408874173 1070100785 /nfs/dbraw/zinc/10/07/85/1070100785.db2.gz ABJRPLAKRORPAY-UXHLAJHPSA-N 0 0 651.568 7.163 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408874330 1070101726 /nfs/dbraw/zinc/10/17/26/1070101726.db2.gz BHAQCJIVPFIJFK-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408876406 1070109626 /nfs/dbraw/zinc/10/96/26/1070109626.db2.gz OJZDQGJHHWXMEX-UHFFFAOYSA-N 0 0 694.978 7.671 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408878292 1070114336 /nfs/dbraw/zinc/11/43/36/1070114336.db2.gz ZRCALTYZZDNCNS-UHFFFAOYSA-N 0 0 504.542 5.858 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br ZINC000408878340 1070114375 /nfs/dbraw/zinc/11/43/75/1070114375.db2.gz AQRNQNNJSZGCHF-XDHOZWIPSA-N 0 0 511.759 5.348 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408884952 1070120241 /nfs/dbraw/zinc/12/02/41/1070120241.db2.gz WDVUGPSTQJRXCT-UHFFFAOYSA-N 0 0 585.429 6.771 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000408881758 1070125062 /nfs/dbraw/zinc/12/50/62/1070125062.db2.gz KIWYYLUAJGOQJI-MSXFZWOLSA-N 0 0 557.594 6.413 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408880617 1070122383 /nfs/dbraw/zinc/12/23/83/1070122383.db2.gz GFGMWATUAPRTDQ-UHFFFAOYSA-N 0 0 555.055 6.676 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408902181 1070166101 /nfs/dbraw/zinc/16/61/01/1070166101.db2.gz LMEXPGRVSUWCJL-LSHDLFTRSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408902203 1070168493 /nfs/dbraw/zinc/16/84/93/1070168493.db2.gz LTMMSZVYRYIJSJ-CIAFOILYSA-N 0 0 558.803 6.338 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408904784 1070177511 /nfs/dbraw/zinc/17/75/11/1070177511.db2.gz ONYFPFKJLJCJMJ-FYJGNVAPSA-N 0 0 520.383 5.281 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000408905831 1070178937 /nfs/dbraw/zinc/17/89/37/1070178937.db2.gz FJHFXFJQQVUAPA-OVVQPSECSA-N 0 0 599.105 5.033 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)SC(=S)N1c1ccccc1 ZINC000408902493 1070183497 /nfs/dbraw/zinc/18/34/97/1070183497.db2.gz ONCVWEFGPWOVPY-MFKUBSTISA-N 0 0 522.478 8.131 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408902928 1070184923 /nfs/dbraw/zinc/18/49/23/1070184923.db2.gz SHINYTPEQUKYKJ-MUFRIFMGSA-N 0 0 524.755 7.968 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408903062 1070185554 /nfs/dbraw/zinc/18/55/54/1070185554.db2.gz UGRIOKKDOVMKRJ-BUVRLJJBSA-N 0 0 705.380 8.034 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408903164 1070185735 /nfs/dbraw/zinc/18/57/35/1070185735.db2.gz VBDJBGLMZZXGKY-GIJQJNRQSA-N 0 0 506.216 7.685 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408903421 1070186404 /nfs/dbraw/zinc/18/64/04/1070186404.db2.gz XOQOVRRFSNJCJP-KGENOOAVSA-N 0 0 602.475 5.723 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408903567 1070188004 /nfs/dbraw/zinc/18/80/04/1070188004.db2.gz ZUUSVCVYESCMPE-ZVHZXABRSA-N 0 0 576.288 7.750 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408924041 1070241214 /nfs/dbraw/zinc/24/12/14/1070241214.db2.gz PUDVILSWOXQCHJ-DQARITGZSA-N 0 0 626.631 6.623 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=CC4=CC(=NNc5ccccc5)C=CC4=O)c(=O)n32)c1 ZINC000408936890 1070278281 /nfs/dbraw/zinc/27/82/81/1070278281.db2.gz ITBQAMULBGSBAD-NPLSRIASSA-N 0 0 601.688 6.004 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937013 1070289726 /nfs/dbraw/zinc/28/97/26/1070289726.db2.gz JCFBGPHDIPTMNQ-QXROAXCPSA-N 0 0 730.714 7.879 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n21 ZINC000408959433 1070322065 /nfs/dbraw/zinc/32/20/65/1070322065.db2.gz ZQLVARZUGJAAMC-XLPYNYLBSA-N 0 0 648.623 5.982 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971541 1070331419 /nfs/dbraw/zinc/33/14/19/1070331419.db2.gz HZNIHRSVPBSFSW-UYRXBGFRSA-N 0 0 501.302 6.377 40 10 KKCBRN O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21)Nc1ccc(F)cc1 ZINC000408969789 1070334505 /nfs/dbraw/zinc/33/45/05/1070334505.db2.gz UPCJCPJNDNMYNQ-HMAPJEAMSA-N 0 0 506.459 5.768 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970463 1070334684 /nfs/dbraw/zinc/33/46/84/1070334684.db2.gz IMCPVSFAVXNUPR-JLPGSUDCSA-N 0 0 506.911 7.421 40 10 KKCBRN O=C1/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973100 1070335556 /nfs/dbraw/zinc/33/55/56/1070335556.db2.gz YSVWRRXRUHOALW-RRAHZORUSA-N 0 0 578.550 8.068 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000408974863 1070336230 /nfs/dbraw/zinc/33/62/30/1070336230.db2.gz HRPCUQUWVYFUSA-SANMLTNESA-N 0 0 604.735 8.495 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5C)c4C)c(=O)n32)c(OC)c1 ZINC000408977305 1070337627 /nfs/dbraw/zinc/33/76/27/1070337627.db2.gz IBYDXEHQXYEKIV-AMQCUNCASA-N 0 0 653.204 6.260 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc6ccccc6c5)c4C)c(=O)n32)c(OC)c1 ZINC000408979493 1070343868 /nfs/dbraw/zinc/34/38/68/1070343868.db2.gz RCTMOFYBSYLBQX-ZXXDOZTISA-N 0 0 654.792 6.452 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cc(C)cc(C)c1 ZINC000408986911 1070348923 /nfs/dbraw/zinc/34/89/23/1070348923.db2.gz PYBCJCAHFOOYPA-MIUGUJGPSA-N 0 0 574.146 5.865 40 10 KKCBRN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408986245 1070347766 /nfs/dbraw/zinc/34/77/66/1070347766.db2.gz OZGXSXWSFMKCML-LYBHJNIJSA-N 0 0 502.010 7.167 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408987207 1070349483 /nfs/dbraw/zinc/34/94/83/1070349483.db2.gz AUQRLFPYARLUBO-OINPTKSXSA-N 0 0 694.820 6.202 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(I)c3)C2=O)cc1Br ZINC000408988027 1070351090 /nfs/dbraw/zinc/35/10/90/1070351090.db2.gz ZZJXGZYBCYSZEF-CPNJWEJPSA-N 0 0 572.240 6.924 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408984091 1070351906 /nfs/dbraw/zinc/35/19/06/1070351906.db2.gz PQNHKPPKSPIHJX-JMIUGGIZSA-N 0 0 570.385 5.854 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408984358 1070352524 /nfs/dbraw/zinc/35/25/24/1070352524.db2.gz HIKYPEIFRVFXTC-SFQUDFHCSA-N 0 0 518.181 7.069 40 10 KKCBRN O=C(CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408990978 1070357221 /nfs/dbraw/zinc/35/72/21/1070357221.db2.gz MFNIUQAORUHEMM-UHFFFAOYSA-N 0 0 594.674 6.074 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408991597 1070358314 /nfs/dbraw/zinc/35/83/14/1070358314.db2.gz OKWYNMMLWGMAKB-UHFFFAOYSA-N 0 0 635.554 7.813 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408990009 1070354956 /nfs/dbraw/zinc/35/49/56/1070354956.db2.gz JRFVKMRFBQYCEL-UHFFFAOYSA-N 0 0 650.807 8.338 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000409001376 1070377043 /nfs/dbraw/zinc/37/70/43/1070377043.db2.gz PMXFQQUCKBHHIA-UHFFFAOYSA-N 0 0 526.932 5.970 40 10 KKCBRN O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409002469 1070379074 /nfs/dbraw/zinc/37/90/74/1070379074.db2.gz NPWLOMIAJYAFPZ-JEHRPUKSSA-N 0 0 536.588 6.469 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)SC1=S ZINC000409006293 1070381844 /nfs/dbraw/zinc/38/18/44/1070381844.db2.gz ISJRYJODVXQNSP-YVLHZVERSA-N 0 0 515.825 5.745 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409007011 1070383314 /nfs/dbraw/zinc/38/33/14/1070383314.db2.gz MDTJJHMLTMHWGJ-UHFFFAOYSA-N 0 0 561.594 5.605 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409008027 1070384680 /nfs/dbraw/zinc/38/46/80/1070384680.db2.gz UUERFSAHXOBRRL-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409009809 1070387362 /nfs/dbraw/zinc/38/73/62/1070387362.db2.gz IGXXEHLATJTHQN-UDWIEESQSA-N 0 0 626.312 5.705 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000409017348 1070391931 /nfs/dbraw/zinc/39/19/31/1070391931.db2.gz FWIPMSIJIGKSKD-OEAKJJBVSA-N 0 0 623.942 6.323 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409017917 1070392328 /nfs/dbraw/zinc/39/23/28/1070392328.db2.gz GLEFLWOVJXAVAL-PCLIKHOPSA-N 0 0 579.520 5.242 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409018076 1070392360 /nfs/dbraw/zinc/39/23/60/1070392360.db2.gz QMFHZGURDKLJNH-GSFJQCGGSA-N 0 0 632.786 5.418 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409014702 1070394630 /nfs/dbraw/zinc/39/46/30/1070394630.db2.gz YCULZSJSMGBXRC-QQXSKIMKSA-N 0 0 505.014 6.414 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409016213 1070396233 /nfs/dbraw/zinc/39/62/33/1070396233.db2.gz FXBICZBMNPLLPI-UPWSPCOFSA-N 0 0 576.118 5.176 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409016691 1070396980 /nfs/dbraw/zinc/39/69/80/1070396980.db2.gz GRYRECAQRCSPOA-MWAVMZGNSA-N 0 0 549.696 6.627 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409021115 1070398208 /nfs/dbraw/zinc/39/82/08/1070398208.db2.gz YBJLTWJKMOAGSV-XKZIYDEJSA-N 0 0 509.433 6.895 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409032915 1070420744 /nfs/dbraw/zinc/42/07/44/1070420744.db2.gz KISGWEKVGZSEBR-MFOYZWKCSA-N 0 0 599.339 7.251 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409033026 1070421608 /nfs/dbraw/zinc/42/16/08/1070421608.db2.gz KEUVQWUHKWUWRW-CHHVJCJISA-N 0 0 601.753 7.192 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cccc2OC)cc1 ZINC000409033258 1070422389 /nfs/dbraw/zinc/42/23/89/1070422389.db2.gz KLFRBTLKIVUEKC-PDGQHHTCSA-N 0 0 560.475 5.953 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000409033836 1070424611 /nfs/dbraw/zinc/42/46/11/1070424611.db2.gz GDUMQWIFLGFXLE-GZTJUZNOSA-N 0 0 543.923 7.461 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(I)cc1 ZINC000409034654 1070432878 /nfs/dbraw/zinc/43/28/78/1070432878.db2.gz IBLLROISLCSZNH-VIZOYTHASA-N 0 0 693.204 7.143 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409035574 1070434977 /nfs/dbraw/zinc/43/49/77/1070434977.db2.gz QBLQWXZDOJWYNU-MKMNVTDBSA-N 0 0 606.172 7.837 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000409036441 1070437040 /nfs/dbraw/zinc/43/70/40/1070437040.db2.gz WESCRVGSTNYHPU-NULZLWRNSA-N 0 0 634.596 5.756 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036932 1070439058 /nfs/dbraw/zinc/43/90/58/1070439058.db2.gz MMEFRRBDOPGIID-KJDHVJLISA-N 0 0 769.658 5.069 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409041235 1070444330 /nfs/dbraw/zinc/44/43/30/1070444330.db2.gz JGJMIFZXJPPVNG-UHFFFAOYSA-N 0 0 701.517 6.599 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000409043936 1070450340 /nfs/dbraw/zinc/45/03/40/1070450340.db2.gz FYRDQHYHLXFRQN-OVCLIPMQSA-N 0 0 663.178 7.134 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000409044551 1070451737 /nfs/dbraw/zinc/45/17/37/1070451737.db2.gz GXGYVXODZRWCCJ-YIXHJXPBSA-N 0 0 754.187 6.705 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409052508 1070455973 /nfs/dbraw/zinc/45/59/73/1070455973.db2.gz UJIZIKWYNLQKSO-OYKKKHCWSA-N 0 0 528.070 7.167 40 10 KKCBRN COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409047699 1070459229 /nfs/dbraw/zinc/45/92/29/1070459229.db2.gz PZVVLNDUFNUAPA-RGVLZGJSSA-N 0 0 559.789 5.679 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409047659 1070459336 /nfs/dbraw/zinc/45/93/36/1070459336.db2.gz PISXWUZEHUFGGO-QGMBQPNBSA-N 0 0 554.188 6.685 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409047759 1070460217 /nfs/dbraw/zinc/46/02/17/1070460217.db2.gz MZYYFIDVGGAQMB-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)NC1=S ZINC000409076904 1070491673 /nfs/dbraw/zinc/49/16/73/1070491673.db2.gz BVADUTSAMLTNND-YVLHZVERSA-N 0 0 544.696 5.912 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077210 1070492175 /nfs/dbraw/zinc/49/21/75/1070492175.db2.gz DJTZYXMAXZIIIU-ITYLOYPMSA-N 0 0 543.848 7.516 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409081695 1070504887 /nfs/dbraw/zinc/50/48/87/1070504887.db2.gz QDXAVTGICZTDGE-OYKKKHCWSA-N 0 0 608.319 8.178 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409086001 1070512443 /nfs/dbraw/zinc/51/24/43/1070512443.db2.gz UHYYANMIHFAOLB-ITYLOYPMSA-N 0 0 505.530 6.017 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409085332 1070511737 /nfs/dbraw/zinc/51/17/37/1070511737.db2.gz OFGYRRAWUZMLQX-LELXDKESSA-N 0 0 538.460 5.556 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409078483 1070514063 /nfs/dbraw/zinc/51/40/63/1070514063.db2.gz IIQMAZJZYASULQ-DZGUVLCISA-N 0 0 697.785 6.508 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2Br)cc1 ZINC000409079322 1070515114 /nfs/dbraw/zinc/51/51/14/1070515114.db2.gz FKQUBNNFKIITEB-BCUAHEQISA-N 0 0 583.367 6.479 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409087928 1070521756 /nfs/dbraw/zinc/52/17/56/1070521756.db2.gz VAYTUPCESGGVQG-YWEMJKAQSA-N 0 0 617.775 5.356 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409123003 1070548212 /nfs/dbraw/zinc/54/82/12/1070548212.db2.gz DFGPPMUSOJJHQG-BKUYFWCQSA-N 0 0 520.436 6.315 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1)c1ccccc1 ZINC000409132403 1070551521 /nfs/dbraw/zinc/55/15/21/1070551521.db2.gz XTFIGCHSPBXXSO-BKUYFWCQSA-N 0 0 538.379 5.337 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409125473 1070553185 /nfs/dbraw/zinc/55/31/85/1070553185.db2.gz MQHGNOZIHYVELR-MTJSOVHGSA-N 0 0 515.860 7.368 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409125570 1070553263 /nfs/dbraw/zinc/55/32/63/1070553263.db2.gz BCTMZFCBMOKMKL-UUYOSTAYSA-N 0 0 513.402 5.981 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)S1)c1ccccc1 ZINC000409126165 1070553822 /nfs/dbraw/zinc/55/38/22/1070553822.db2.gz OABYAXPAPUYBHE-NDENLUEZSA-N 0 0 606.723 6.844 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409128645 1070555430 /nfs/dbraw/zinc/55/54/30/1070555430.db2.gz SVNIGVGAJMHLPO-XKZIYDEJSA-N 0 0 540.508 5.822 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409130005 1070556606 /nfs/dbraw/zinc/55/66/06/1070556606.db2.gz SXGQUERAEUXVSV-IWIPYMOSSA-N 0 0 554.535 6.099 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409149214 1070567158 /nfs/dbraw/zinc/56/71/58/1070567158.db2.gz ZEJZBJNEIGAJSP-HMAPJEAMSA-N 0 0 618.880 6.323 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409142976 1070571068 /nfs/dbraw/zinc/57/10/68/1070571068.db2.gz MIWPTYRPLIOHON-TWKHWXDSSA-N 0 0 600.741 5.623 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409166273 1070584357 /nfs/dbraw/zinc/58/43/57/1070584357.db2.gz CMNWAFZHQGQGLW-KYTVRQNUSA-N 0 0 545.304 8.478 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409176012 1070590990 /nfs/dbraw/zinc/59/09/90/1070590990.db2.gz WWJKZDKNCBNTKU-WGOQTCKBSA-N 0 0 551.506 7.111 40 10 KKCBRN O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176770 1070591469 /nfs/dbraw/zinc/59/14/69/1070591469.db2.gz XEWKDDMGEOHMTA-KEBDBYFISA-N 0 0 546.407 7.413 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409179139 1070594749 /nfs/dbraw/zinc/59/47/49/1070594749.db2.gz NJVFOHQVAGVMTC-FYJGNVAPSA-N 0 0 573.465 5.722 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185354 1070604630 /nfs/dbraw/zinc/60/46/30/1070604630.db2.gz KURSOMVAICWJMX-QICITKFESA-N 0 0 829.498 7.298 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185154 1070604907 /nfs/dbraw/zinc/60/49/07/1070604907.db2.gz JXNYAKJJSJBMNE-MLWVTIFLSA-N 0 0 746.329 9.019 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185820 1070605392 /nfs/dbraw/zinc/60/53/92/1070605392.db2.gz QQNCIPIYESFZPL-VTBAUAQGSA-N 0 0 829.760 9.417 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183163 1070601791 /nfs/dbraw/zinc/60/17/91/1070601791.db2.gz QIQOJNFLTOQDRV-RQBSVBTHSA-N 0 0 890.492 9.946 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185814 1070605552 /nfs/dbraw/zinc/60/55/52/1070605552.db2.gz QNTCMJYKMQSDDH-ZEKVDEEJSA-N 0 0 592.677 5.988 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198743 1070620198 /nfs/dbraw/zinc/62/01/98/1070620198.db2.gz KLTTVZGLAONRRB-UHFFFAOYSA-N 0 0 566.595 5.929 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC ZINC000409200318 1070625832 /nfs/dbraw/zinc/62/58/32/1070625832.db2.gz KSUAJKAIHPBWLW-OVCLIPMQSA-N 0 0 515.248 5.635 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409205770 1070632547 /nfs/dbraw/zinc/63/25/47/1070632547.db2.gz TXMFCGHWPLTWKK-MUXKCCDJSA-N 0 0 520.635 6.977 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409211570 1070635072 /nfs/dbraw/zinc/63/50/72/1070635072.db2.gz OKBFWEHEISACNQ-LQKURTRISA-N 0 0 617.475 6.106 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409225170 1070642991 /nfs/dbraw/zinc/64/29/91/1070642991.db2.gz PFKGADQAICYBLC-GIJQJNRQSA-N 0 0 633.282 5.757 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409228253 1070645484 /nfs/dbraw/zinc/64/54/84/1070645484.db2.gz WLVHZLKCLUAXAX-BKUYFWCQSA-N 0 0 589.920 6.534 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409220799 1070647876 /nfs/dbraw/zinc/64/78/76/1070647876.db2.gz FYTNOMGQIVBPGR-JFLMPSFJSA-N 0 0 504.696 6.635 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409237157 1070653274 /nfs/dbraw/zinc/65/32/74/1070653274.db2.gz HTFNMCSPIMQNGH-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409244703 1070661982 /nfs/dbraw/zinc/66/19/82/1070661982.db2.gz HMZLZKOAPPNVGK-GTNUZRKBSA-N 0 0 557.015 5.757 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000409241271 1070668576 /nfs/dbraw/zinc/66/85/76/1070668576.db2.gz SQDXTHUSFHYTRN-ODLFYWEKSA-N 0 0 582.485 5.155 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)cc1 ZINC000409250982 1070669152 /nfs/dbraw/zinc/66/91/52/1070669152.db2.gz SJICYWXPXZZBGI-QRVIBDJDSA-N 0 0 574.602 6.146 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409247224 1070664332 /nfs/dbraw/zinc/66/43/32/1070664332.db2.gz CNSKMGJFBVFHCJ-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409247396 1070664343 /nfs/dbraw/zinc/66/43/43/1070664343.db2.gz BYYPPWZUDXJCJY-WWAUWJAYSA-N 0 0 532.687 6.292 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)SC1=S ZINC000409243459 1070671359 /nfs/dbraw/zinc/67/13/59/1070671359.db2.gz YUSIBMJZUCGKHA-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409244149 1070671989 /nfs/dbraw/zinc/67/19/89/1070671989.db2.gz YNFRWBWEJYQKEL-WSDLNYQXSA-N 0 0 558.885 6.493 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409254971 1070673405 /nfs/dbraw/zinc/67/34/05/1070673405.db2.gz YPFAPUYXRGVKBA-UNOMPAQXSA-N 0 0 525.479 6.021 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409254976 1070673439 /nfs/dbraw/zinc/67/34/39/1070673439.db2.gz XHNTVLBJAMVKLM-YSMPRRRNSA-N 0 0 567.132 7.087 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1C ZINC000409256604 1070676008 /nfs/dbraw/zinc/67/60/08/1070676008.db2.gz MHLJMJUWPMDVNI-QRVIBDJDSA-N 0 0 576.447 5.367 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)c1 ZINC000409258913 1070680412 /nfs/dbraw/zinc/68/04/12/1070680412.db2.gz WBVPGABBEYOJSM-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4CC)cc3)SC2=S)cc1 ZINC000409258556 1070679664 /nfs/dbraw/zinc/67/96/64/1070679664.db2.gz XKYRAPDGYJJCQD-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409259529 1070681052 /nfs/dbraw/zinc/68/10/52/1070681052.db2.gz AFSNNRIJXNJLIQ-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409259471 1070681087 /nfs/dbraw/zinc/68/10/87/1070681087.db2.gz ZNRNQTVBRFCHMF-QRVIBDJDSA-N 0 0 543.066 6.059 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409251460 1070681956 /nfs/dbraw/zinc/68/19/56/1070681956.db2.gz QHKDNFIAWVPVNT-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1Cl ZINC000409252540 1070683747 /nfs/dbraw/zinc/68/37/47/1070683747.db2.gz SNOZYCCMQWYENN-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2Cl)cc1 ZINC000409262418 1070698489 /nfs/dbraw/zinc/69/84/89/1070698489.db2.gz IREWCHFWZFFSKK-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409273014 1070711646 /nfs/dbraw/zinc/71/16/46/1070711646.db2.gz UUOHQLXFKIHLHO-UNOMPAQXSA-N 0 0 535.485 5.395 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)SC1=S ZINC000409270437 1070705699 /nfs/dbraw/zinc/70/56/99/1070705699.db2.gz FYVWEHIRWRCMQR-MOSHPQCFSA-N 0 0 524.586 5.733 40 10 KKCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409270266 1070705804 /nfs/dbraw/zinc/70/58/04/1070705804.db2.gz OLOPBZQWTKIZCC-NVMNQCDNSA-N 0 0 514.978 5.986 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409271846 1070709038 /nfs/dbraw/zinc/70/90/38/1070709038.db2.gz DCBHVUNRIWAEAK-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408881109 1070784216 /nfs/dbraw/zinc/78/42/16/1070784216.db2.gz JKTKPSMKXUCMAY-MTJSOVHGSA-N 0 0 560.275 7.041 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880400 1070788169 /nfs/dbraw/zinc/78/81/69/1070788169.db2.gz JREBGFICAQIGHH-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Cc2ccccc2Cl)c1 ZINC000408880207 1070788707 /nfs/dbraw/zinc/78/87/07/1070788707.db2.gz FCDVZJJDOJHEQQ-UHFFFAOYSA-N 0 0 522.988 6.523 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408879874 1070791945 /nfs/dbraw/zinc/79/19/45/1070791945.db2.gz HOBFFZVXZYAUAY-UHFFFAOYSA-N 0 0 559.021 7.656 40 10 KKCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408877782 1070804265 /nfs/dbraw/zinc/80/42/65/1070804265.db2.gz UMODGEBPIFBGJA-YDZHTSKRSA-N 0 0 575.470 5.246 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408888679 1070812150 /nfs/dbraw/zinc/81/21/50/1070812150.db2.gz YWBICCIQXZBKMZ-UHFFFAOYSA-N 0 0 647.978 7.829 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408888089 1070816146 /nfs/dbraw/zinc/81/61/46/1070816146.db2.gz SKVYNMUGUIDGCB-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409327397 1070827893 /nfs/dbraw/zinc/82/78/93/1070827893.db2.gz JLBOLHPBDVNPFR-MYYYXRDXSA-N 0 0 580.500 7.735 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409328177 1070828864 /nfs/dbraw/zinc/82/88/64/1070828864.db2.gz PSDDFNQEIHCHLD-OEAKJJBVSA-N 0 0 544.467 6.972 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)SC1=S ZINC000409333427 1070838188 /nfs/dbraw/zinc/83/81/88/1070838188.db2.gz SJUJEQSOWWXULO-AFUMVMLFSA-N 0 0 613.555 6.506 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409333439 1070838214 /nfs/dbraw/zinc/83/82/14/1070838214.db2.gz TVNSMUKRIHEDSQ-RDRPBHBLSA-N 0 0 525.695 7.840 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC ZINC000409329447 1070831324 /nfs/dbraw/zinc/83/13/24/1070831324.db2.gz FYSZAFVSEZCBAA-YVLHZVERSA-N 0 0 511.406 5.331 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409333510 1070839100 /nfs/dbraw/zinc/83/91/00/1070839100.db2.gz UEMUMXPAXRHFKC-SSDVNMTOSA-N 0 0 591.892 7.004 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)c1 ZINC000409329599 1070831919 /nfs/dbraw/zinc/83/19/19/1070831919.db2.gz FYUNLCKYHGOZHV-XYGWBWBKSA-N 0 0 502.686 6.848 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409329889 1070832418 /nfs/dbraw/zinc/83/24/18/1070832418.db2.gz IMKFCNXWHWIKJO-ZVHZXABRSA-N 0 0 520.035 6.965 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409333008 1070837928 /nfs/dbraw/zinc/83/79/28/1070837928.db2.gz AJNNHNUKRFIDLR-DAEMZRGMSA-N 0 0 632.767 6.779 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1Cl ZINC000409334238 1070840774 /nfs/dbraw/zinc/84/07/74/1070840774.db2.gz WHZMQRLNRJXWSO-LPYMAVHISA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409339594 1070845352 /nfs/dbraw/zinc/84/53/52/1070845352.db2.gz WTBGBIOILVOLMZ-XYGWBWBKSA-N 0 0 518.660 6.242 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1C ZINC000409341339 1070848013 /nfs/dbraw/zinc/84/80/13/1070848013.db2.gz BINBVNIWPMNJHE-FMCGGJTJSA-N 0 0 621.500 7.508 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409341201 1070848067 /nfs/dbraw/zinc/84/80/67/1070848067.db2.gz AAIVPPXJSZHKMB-SRZZPIQSSA-N 0 0 568.411 7.592 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409342299 1070849342 /nfs/dbraw/zinc/84/93/42/1070849342.db2.gz BCOWQTDIZQTQBB-VXLYETTFSA-N 0 0 512.436 5.740 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409342827 1070850894 /nfs/dbraw/zinc/85/08/94/1070850894.db2.gz FNEFOHCGAHRWJG-UDWIEESQSA-N 0 0 502.842 7.301 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409343243 1070851573 /nfs/dbraw/zinc/85/15/73/1070851573.db2.gz DDQKSFCIFCXUSK-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409344301 1070852858 /nfs/dbraw/zinc/85/28/58/1070852858.db2.gz IMSLMNBZJLKVSW-WSDLNYQXSA-N 0 0 589.464 6.880 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409344680 1070853197 /nfs/dbraw/zinc/85/31/97/1070853197.db2.gz GJMCQASCKXBZFS-BOPFTXTBSA-N 0 0 511.406 5.413 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409338703 1070861082 /nfs/dbraw/zinc/86/10/82/1070861082.db2.gz OQPGNICUULAHLZ-GRSHGNNSSA-N 0 0 507.376 6.576 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409338520 1070861308 /nfs/dbraw/zinc/86/13/08/1070861308.db2.gz LHCOHBBADCDIMN-WSDLNYQXSA-N 0 0 562.457 7.111 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409347538 1070864662 /nfs/dbraw/zinc/86/46/62/1070864662.db2.gz QFEHJGUPFQCDAN-HYARGMPZSA-N 0 0 521.576 5.027 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409348206 1070865268 /nfs/dbraw/zinc/86/52/68/1070865268.db2.gz RRWWYBMOIOGEAY-FYJGNVAPSA-N 0 0 527.465 6.146 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409349444 1070866758 /nfs/dbraw/zinc/86/67/58/1070866758.db2.gz PZHDNKMZOVFENY-FMCGGJTJSA-N 0 0 625.393 8.148 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409349254 1070867136 /nfs/dbraw/zinc/86/71/36/1070867136.db2.gz VEOMMZGEIMUGLF-NHDPSOOVSA-N 0 0 595.418 7.570 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409350586 1070868551 /nfs/dbraw/zinc/86/85/51/1070868551.db2.gz YMXIERCBVWPCSZ-VXLYETTFSA-N 0 0 534.402 6.503 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409351108 1070869080 /nfs/dbraw/zinc/86/90/80/1070869080.db2.gz ZLGOVHBQNYUGDX-IUXPMGMMSA-N 0 0 577.305 6.112 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408892425 1070872873 /nfs/dbraw/zinc/87/28/73/1070872873.db2.gz BEGNWGQGHJPADJ-UHFFFAOYSA-N 0 0 554.649 5.511 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)SC1=S ZINC000409355512 1070875289 /nfs/dbraw/zinc/87/52/89/1070875289.db2.gz CGPPJKPHDXFKGK-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408889567 1070887920 /nfs/dbraw/zinc/88/79/20/1070887920.db2.gz FIVSLWPERHBDQN-UHFFFAOYSA-N 0 0 587.470 6.916 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408889602 1070888320 /nfs/dbraw/zinc/88/83/20/1070888320.db2.gz HPJGGCLMBSJOMC-UHFFFAOYSA-N 0 0 571.402 6.751 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409368796 1070892144 /nfs/dbraw/zinc/89/21/44/1070892144.db2.gz NJFBRMYKDLEALJ-ODCIPOBUSA-N 0 0 708.270 8.588 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000409373433 1070896008 /nfs/dbraw/zinc/89/60/08/1070896008.db2.gz SRKJCIXTJUHLLX-NVMNQCDNSA-N 0 0 512.440 5.727 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905691 1070899529 /nfs/dbraw/zinc/89/95/29/1070899529.db2.gz CKBUBUSIBZXWGX-OGLMXYFKSA-N 0 0 562.688 5.369 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408905800 1070898326 /nfs/dbraw/zinc/89/83/26/1070898326.db2.gz DZDLLVXUWMZAPT-JVWAILMASA-N 0 0 750.882 8.271 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408903564 1070902847 /nfs/dbraw/zinc/90/28/47/1070902847.db2.gz ZUBRURVCEMECLZ-CIAFOILYSA-N 0 0 556.254 6.605 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408903071 1070906639 /nfs/dbraw/zinc/90/66/39/1070906639.db2.gz UHQUUIHCMAZMQG-XNTDXEJSSA-N 0 0 546.249 5.858 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)o1 ZINC000409390961 1070907147 /nfs/dbraw/zinc/90/71/47/1070907147.db2.gz ZDEIGIAKXRIHKM-UKWGHVSLSA-N 0 0 505.379 6.017 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903111 1070907338 /nfs/dbraw/zinc/90/73/38/1070907338.db2.gz UPSNCFHQUVBORB-UDWIEESQSA-N 0 0 687.216 7.801 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408902830 1070907379 /nfs/dbraw/zinc/90/73/79/1070907379.db2.gz RTYGFOKGECVXNW-DJKKODMXSA-N 0 0 506.216 7.685 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408905296 1070900094 /nfs/dbraw/zinc/90/00/94/1070900094.db2.gz WSYDXHZQEZHBMO-FYJGNVAPSA-N 0 0 520.383 5.281 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902418 1070911100 /nfs/dbraw/zinc/91/11/00/1070911100.db2.gz NJZVMDIRBWXOOR-FYJGNVAPSA-N 0 0 512.996 6.242 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409389446 1070911879 /nfs/dbraw/zinc/91/18/79/1070911879.db2.gz ZDVOVYKWZSNYPB-CFRMEGHHSA-N 0 0 597.478 5.320 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408902153 1070913290 /nfs/dbraw/zinc/91/32/90/1070913290.db2.gz KYRWKOIGWPHQJE-YDZHTSKRSA-N 0 0 587.492 6.410 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902187 1070913859 /nfs/dbraw/zinc/91/38/59/1070913859.db2.gz LOYIIQHYBUVUCF-RGVLZGJSSA-N 0 0 560.275 7.540 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902166 1070913997 /nfs/dbraw/zinc/91/39/97/1070913997.db2.gz LEAZUHSNROPGSX-BUVRLJJBSA-N 0 0 658.380 8.192 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1O ZINC000408902004 1070914561 /nfs/dbraw/zinc/91/45/61/1070914561.db2.gz JSLSKTQGERYDMO-XYOKQWHBSA-N 0 0 501.221 5.332 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5Br)cc4)c3C)C2=O)o1 ZINC000409401300 1070916464 /nfs/dbraw/zinc/91/64/64/1070916464.db2.gz SFYHVFNFLKRVKQ-ZMFRSBBQSA-N 0 0 683.353 6.671 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000408901234 1070921936 /nfs/dbraw/zinc/92/19/36/1070921936.db2.gz CHSQZNWPNZBJMN-CIAFOILYSA-N 0 0 542.348 5.824 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408901222 1070922001 /nfs/dbraw/zinc/92/20/01/1070922001.db2.gz CEXIWFILOSZIPQ-JVWAILMASA-N 0 0 576.537 7.986 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408901314 1070922813 /nfs/dbraw/zinc/92/28/13/1070922813.db2.gz DCGAWQBTHBXKIV-RGVLZGJSSA-N 0 0 503.874 6.916 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408901192 1070925802 /nfs/dbraw/zinc/92/58/02/1070925802.db2.gz BWDCOSURUOFDSZ-GIJQJNRQSA-N 0 0 595.118 7.904 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000408900986 1070926468 /nfs/dbraw/zinc/92/64/68/1070926468.db2.gz BEISZSCRRPCDIP-RGVLZGJSSA-N 0 0 563.222 6.983 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901028 1070926603 /nfs/dbraw/zinc/92/66/03/1070926603.db2.gz BPGRHXCEWXRBPA-KEBDBYFISA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000408898906 1070950485 /nfs/dbraw/zinc/95/04/85/1070950485.db2.gz NJRRFCFAHAZIRP-UHFFFAOYSA-N 0 0 507.340 5.137 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408908810 1070982770 /nfs/dbraw/zinc/98/27/70/1070982770.db2.gz SEIYHNXOSAVWGH-STBIYBPSSA-N 0 0 716.039 7.512 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408907995 1070987100 /nfs/dbraw/zinc/98/71/00/1070987100.db2.gz CZGKMLGNXRDAAS-WAHKBFHJSA-N 0 0 617.771 6.050 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000408924876 1071079558 /nfs/dbraw/zinc/07/95/58/1071079558.db2.gz RNZMLBQZJNPKIY-MDYVMDJYSA-N 0 0 633.839 6.983 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1C ZINC000408923447 1071086789 /nfs/dbraw/zinc/08/67/89/1071086789.db2.gz INRRZUJCADUNSY-YVLHZVERSA-N 0 0 511.406 5.066 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)c(I)c1 ZINC000408919702 1071115637 /nfs/dbraw/zinc/11/56/37/1071115637.db2.gz BODMGBPIAQWBEG-QQMBNGEASA-N 0 0 719.048 6.848 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000408919672 1071114722 /nfs/dbraw/zinc/11/47/22/1071114722.db2.gz BHLLIZIVEVRAGX-FUFNRSNVSA-N 0 0 683.637 5.921 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408929733 1071167526 /nfs/dbraw/zinc/16/75/26/1071167526.db2.gz NFCQLFDHZVQXOK-LQKURTRISA-N 0 0 574.450 6.668 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408937241 1071203205 /nfs/dbraw/zinc/20/32/05/1071203205.db2.gz INKWADKNMZYSGR-LPYMAVHISA-N 0 0 553.840 6.522 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408937141 1071202497 /nfs/dbraw/zinc/20/24/97/1071202497.db2.gz IFSKSJOENQNFRE-KGENOOAVSA-N 0 0 509.787 6.123 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000208699530 1071213007 /nfs/dbraw/zinc/21/30/07/1071213007.db2.gz ABHYYPHZVOTVCJ-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl ZINC000208699958 1071213011 /nfs/dbraw/zinc/21/30/11/1071213011.db2.gz SKRFDXCGXJFTNR-QRVIBDJDSA-N 0 0 527.023 6.632 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408936403 1071213457 /nfs/dbraw/zinc/21/34/57/1071213457.db2.gz GASQZNDCQCQUQM-DEDYPNTBSA-N 0 0 509.787 6.123 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1Cl ZINC000408935782 1071220348 /nfs/dbraw/zinc/22/03/48/1071220348.db2.gz DSHVYMJGKRANFW-FYJGNVAPSA-N 0 0 509.389 6.413 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408935096 1071225545 /nfs/dbraw/zinc/22/55/45/1071225545.db2.gz GQACAYHRKAMYSO-LPYMAVHISA-N 0 0 611.392 5.619 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934244 1071235591 /nfs/dbraw/zinc/23/55/91/1071235591.db2.gz BNZLYRABIBJZFC-NVZOQZRCSA-N 0 0 730.714 7.879 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408932502 1071250612 /nfs/dbraw/zinc/25/06/12/1071250612.db2.gz CQANGAWSZOWVIN-RHANQZHGSA-N 0 0 586.113 7.310 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1F ZINC000408944810 1071283748 /nfs/dbraw/zinc/28/37/48/1071283748.db2.gz VJPQPFWGTHINKK-UDWIEESQSA-N 0 0 523.358 5.618 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000408944171 1071287058 /nfs/dbraw/zinc/28/70/58/1071287058.db2.gz IPUIKXPBMKWJPC-AZJUONQGSA-N 0 0 602.760 5.989 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408941427 1071308364 /nfs/dbraw/zinc/30/83/64/1071308364.db2.gz VTWUIDXZGLTZNE-NTFVMDSBSA-N 0 0 546.454 7.073 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc6ccccc6c5)c4C)c(=O)n32)cc1OCC ZINC000408940653 1071314452 /nfs/dbraw/zinc/31/44/52/1071314452.db2.gz VFAKCERIJNCGNO-REVJZDEPSA-N 0 0 607.732 5.376 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(F)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408937606 1071338286 /nfs/dbraw/zinc/33/82/86/1071338286.db2.gz GZKQFXIRYWSFQL-RVKRRNEASA-N 0 0 681.786 5.941 40 10 KKCBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c2-c2ccccc2)cc1 ZINC000408973783 1071446324 /nfs/dbraw/zinc/44/63/24/1071446324.db2.gz VDFDRNMFMPXLTJ-ANYBSYGZSA-N 0 0 547.580 8.468 40 10 KKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C ZINC000408968544 1071461424 /nfs/dbraw/zinc/46/14/24/1071461424.db2.gz WZNVFTRZMHHDIG-UCQKPKSFSA-N 0 0 538.467 6.094 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968038 1071463715 /nfs/dbraw/zinc/46/37/15/1071463715.db2.gz TYUFDWUKMBMSPV-IWIPYMOSSA-N 0 0 522.070 6.720 40 10 KKCBRN CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408967353 1071468025 /nfs/dbraw/zinc/46/80/25/1071468025.db2.gz QCAGCMQVTFIBKY-BRPDVVIDSA-N 0 0 533.697 7.022 40 10 KKCBRN CCCN(Cc1ccccc1)C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408976474 1071471022 /nfs/dbraw/zinc/47/10/22/1071471022.db2.gz RCGWCYCDKOCGJD-UHFFFAOYSA-N 0 0 606.751 8.918 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)cc1N1CCCC[C@@H]1C ZINC000408975998 1071473294 /nfs/dbraw/zinc/47/32/94/1071473294.db2.gz OKCPLYNBAIDYTA-GILQPYTJSA-N 0 0 536.076 6.812 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N(CCO)c2ccccc2)cc1 ZINC000408974857 1071478020 /nfs/dbraw/zinc/47/80/20/1071478020.db2.gz HQMWWAPLPVKXKP-UHFFFAOYSA-N 0 0 594.696 7.504 40 10 KKCBRN CCCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408713644 1071478512 /nfs/dbraw/zinc/47/85/12/1071478512.db2.gz WVNJBVWYKMFCDS-UHFFFAOYSA-N 0 0 563.745 5.786 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)sc2=N1 ZINC000408987205 1071483068 /nfs/dbraw/zinc/48/30/68/1071483068.db2.gz AUQRLFPYARLUBO-FWESEHMYSA-N 0 0 694.820 6.202 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5cc(C)cc(C)c5)C(=S)N(c5cc(C)cc(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987189 1071483279 /nfs/dbraw/zinc/48/32/79/1071483279.db2.gz ATCOUIPLCCLQFX-UHFFFAOYSA-N 0 0 694.860 8.736 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408986298 1071492394 /nfs/dbraw/zinc/49/23/94/1071492394.db2.gz OYUNFYNXYOBXNW-FAVIKPSQSA-N 0 0 638.145 5.725 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408984831 1071506396 /nfs/dbraw/zinc/50/63/96/1071506396.db2.gz NBJYRLSVGIZHOY-NTNOMAAHSA-N 0 0 622.190 6.613 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408984160 1071511019 /nfs/dbraw/zinc/51/10/19/1071511019.db2.gz ICWAGHAJSWMEPI-WGJPBTIMSA-N 0 0 699.614 6.256 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(=O)OC)c4)C3=O)o2)cc1 ZINC000408983861 1071513332 /nfs/dbraw/zinc/51/33/32/1071513332.db2.gz DPKCBAIJTRGEBT-HKOYGPOVSA-N 0 0 505.526 5.991 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408984140 1071513402 /nfs/dbraw/zinc/51/34/02/1071513402.db2.gz IBMZWJPEVYTAHM-UOZQHNDTSA-N 0 0 631.754 5.520 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408983842 1071515346 /nfs/dbraw/zinc/51/53/46/1071515346.db2.gz DMFYMDKVJURTLS-QGOAFFKASA-N 0 0 515.234 7.626 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408726387 1071516798 /nfs/dbraw/zinc/51/67/98/1071516798.db2.gz NICUMPCFNMMPHA-SEXPAEGTSA-N 0 0 572.539 5.574 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(NC(C)=O)cc4)C3=O)o2)cc1 ZINC000408983321 1071518388 /nfs/dbraw/zinc/51/83/88/1071518388.db2.gz AUTYNWIMVVGASM-HKOYGPOVSA-N 0 0 504.542 6.163 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000408725207 1071521085 /nfs/dbraw/zinc/52/10/85/1071521085.db2.gz JZYNAAZVRYNNMU-JAIQZWGSSA-N 0 0 531.398 6.527 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408725202 1071521317 /nfs/dbraw/zinc/52/13/17/1071521317.db2.gz FYLJDEMYRNQKGN-FHQMNNMHSA-N 0 0 778.496 6.363 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408982177 1071528684 /nfs/dbraw/zinc/52/86/84/1071528684.db2.gz IVQHJQUGLPZQKB-DFXMODJXSA-N 0 0 591.733 5.676 40 10 KKCBRN O=C(Nc1ccc(I)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408722713 1071532159 /nfs/dbraw/zinc/53/21/59/1071532159.db2.gz WJKRIQJHWUZDKY-UHFFFAOYSA-N 0 0 525.349 6.946 40 10 KKCBRN O=C1C(=Cc2ccc(I)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408721342 1071539563 /nfs/dbraw/zinc/53/95/63/1071539563.db2.gz PJQQTPAKXBMDMG-UHFFFAOYSA-N 0 0 510.356 5.040 40 10 KKCBRN O=C(Oc1ccc(I)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408721089 1071540147 /nfs/dbraw/zinc/54/01/47/1071540147.db2.gz CSGQXGCHZFWCBJ-UHFFFAOYSA-N 0 0 526.333 6.913 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408979455 1071545294 /nfs/dbraw/zinc/54/52/94/1071545294.db2.gz CPDHRVYSYYBKEJ-DWLKXISJSA-N 0 0 633.770 5.669 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408978694 1071547601 /nfs/dbraw/zinc/54/76/01/1071547601.db2.gz ANKYERMFRUCULY-GSASKQFNSA-N 0 0 647.753 5.138 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc6ccccc6c5)c4C)c(=O)n32)c(OC)c1 ZINC000408979492 1071543674 /nfs/dbraw/zinc/54/36/74/1071543674.db2.gz RCTMOFYBSYLBQX-NPRXSWCKSA-N 0 0 654.792 6.452 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995561 1071551057 /nfs/dbraw/zinc/55/10/57/1071551057.db2.gz KAKAOQCRRPFOLQ-NTEUORMPSA-N 0 0 673.116 6.912 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995249 1071553103 /nfs/dbraw/zinc/55/31/03/1071553103.db2.gz LMGUJEUGNBTFEQ-CTVOUCONSA-N 0 0 534.703 6.207 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735618 1071560141 /nfs/dbraw/zinc/56/01/41/1071560141.db2.gz VBHZTUVMJKSZFB-UNDLXJOSSA-N 0 0 603.716 5.142 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408993952 1071560970 /nfs/dbraw/zinc/56/09/70/1071560970.db2.gz DVHVVDTXGXOOOD-SWBDNCPRSA-N 0 0 727.668 7.071 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734498 1071564804 /nfs/dbraw/zinc/56/48/04/1071564804.db2.gz HCMJOVDEMBNMEL-UNDLXJOSSA-N 0 0 664.622 5.766 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408993542 1071564784 /nfs/dbraw/zinc/56/47/84/1071564784.db2.gz WBENQAPDODQZJU-UHFFFAOYSA-N 0 0 644.778 8.276 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc([N+](=O)[O-])cc2)N1 ZINC000408992915 1071568299 /nfs/dbraw/zinc/56/82/99/1071568299.db2.gz UZEOKVOQIYQOQE-RUZDIDTESA-N 0 0 501.612 5.507 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408992780 1071569538 /nfs/dbraw/zinc/56/95/38/1071569538.db2.gz BVICZHAQRBGQOK-RISWYLRJSA-N 0 0 626.960 5.540 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4ccccn4)o3)sc2=N1 ZINC000408992243 1071573778 /nfs/dbraw/zinc/57/37/78/1071573778.db2.gz RABAHYZLHGGIGU-CALWQIHWSA-N 0 0 593.734 5.079 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408991577 1071581076 /nfs/dbraw/zinc/58/10/76/1071581076.db2.gz QOHTXRGTZIYUBX-UHFFFAOYSA-N 0 0 632.826 8.572 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccc(C)c(C)c5)C(=S)N(c5ccc(C)c(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408991294 1071583588 /nfs/dbraw/zinc/58/35/88/1071583588.db2.gz NHSRGQGFQQYMGF-UHFFFAOYSA-N 0 0 694.860 8.736 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408990175 1071591151 /nfs/dbraw/zinc/59/11/51/1071591151.db2.gz JSLDGEBKMIECRM-KMCFWPMWSA-N 0 0 747.880 6.019 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408727932 1071597773 /nfs/dbraw/zinc/59/77/73/1071597773.db2.gz ZTYZTOKJVWTQKI-FHQMNNMHSA-N 0 0 697.595 5.136 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c(C)c1 ZINC000408989711 1071594802 /nfs/dbraw/zinc/59/48/02/1071594802.db2.gz LPLIXOJWUVGPDM-MUUNZHRXSA-N 0 0 527.694 5.654 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccccc5s4)o3)sc2=N1 ZINC000408989327 1071597901 /nfs/dbraw/zinc/59/79/01/1071597901.db2.gz HJNMYFZNPVSFCN-CLNXTWJPSA-N 0 0 649.823 6.294 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1ccccc1I ZINC000408728051 1071598321 /nfs/dbraw/zinc/59/83/21/1071598321.db2.gz VBGGSEYMMVUCEN-NDENLUEZSA-N 0 0 577.852 6.570 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408989004 1071599575 /nfs/dbraw/zinc/59/95/75/1071599575.db2.gz GLCMGHOIWARJAP-UHFFFAOYSA-N 0 0 606.733 6.388 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1C ZINC000408988555 1071603165 /nfs/dbraw/zinc/60/31/65/1071603165.db2.gz IJELCCNSRMNGKE-UHFFFAOYSA-N 0 0 525.457 6.676 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408988311 1071606175 /nfs/dbraw/zinc/60/61/75/1071606175.db2.gz RZDGBMYWOYJWOM-SCRHHBKZSA-N 0 0 671.957 5.448 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl ZINC000408738474 1071608727 /nfs/dbraw/zinc/60/87/27/1071608727.db2.gz YROIJYFJWYKFJX-XDJHFCHBSA-N 0 0 503.341 7.633 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408987996 1071608831 /nfs/dbraw/zinc/60/88/31/1071608831.db2.gz CGFQFUOYRTXBDB-UHFFFAOYSA-N 0 0 845.211 10.933 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc(I)c1 ZINC000408738398 1071610007 /nfs/dbraw/zinc/61/00/07/1071610007.db2.gz WSCLIRLQHGFKKE-HMMYKYKNSA-N 0 0 560.347 6.931 40 10 KKCBRN Cc1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)ccc1F ZINC000408738160 1071610427 /nfs/dbraw/zinc/61/04/27/1071610427.db2.gz RCAAJSHDNIRVFG-LTGZKZEYSA-N 0 0 500.367 7.628 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738262 1071611080 /nfs/dbraw/zinc/61/10/80/1071611080.db2.gz JOYWLNCQYPYTQN-ASZNLBCTSA-N 0 0 576.118 5.258 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738268 1071611082 /nfs/dbraw/zinc/61/10/82/1071611082.db2.gz JOYWLNCQYPYTQN-YNMQQHPQSA-N 0 0 576.118 5.258 40 10 KKCBRN CC(=O)Oc1c(I)cc(Cl)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O ZINC000408744680 1071615468 /nfs/dbraw/zinc/61/54/68/1071615468.db2.gz ZGBGDRWONUMQDR-AWNIVKPZSA-N 0 0 545.554 5.614 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 ZINC000408737422 1071613663 /nfs/dbraw/zinc/61/36/63/1071613663.db2.gz ABIQJZGAYMAEQI-CPNJWEJPSA-N 0 0 503.341 7.633 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(=O)OC)c4C)C3=O)o2)cc1 ZINC000408987347 1071613915 /nfs/dbraw/zinc/61/39/15/1071613915.db2.gz WQCUYTLWMUKBIK-HKOYGPOVSA-N 0 0 519.553 6.300 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000408737453 1071614248 /nfs/dbraw/zinc/61/42/48/1071614248.db2.gz AVDUVCMHUJDDQT-XMHGGMMESA-N 0 0 503.341 7.633 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000408737541 1071614270 /nfs/dbraw/zinc/61/42/70/1071614270.db2.gz CWKKRDZTYAFQTE-LTGZKZEYSA-N 0 0 530.407 7.901 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1I ZINC000408737503 1071614313 /nfs/dbraw/zinc/61/43/13/1071614313.db2.gz BXMUYLAGGJQFLC-CAPFRKAQSA-N 0 0 560.347 6.931 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408737400 1071615382 /nfs/dbraw/zinc/61/53/82/1071615382.db2.gz OYNOKNSHZYBWII-KOEQRZSOSA-N 0 0 539.975 6.670 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408996618 1071617074 /nfs/dbraw/zinc/61/70/74/1071617074.db2.gz JIKABPANWJUDMU-UQQQWYQISA-N 0 0 526.589 5.207 40 10 KKCBRN CNc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1I ZINC000408743736 1071617262 /nfs/dbraw/zinc/61/72/62/1071617262.db2.gz USJQDUZIGBCIBL-WUXMJOGZSA-N 0 0 608.011 5.681 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996530 1071618078 /nfs/dbraw/zinc/61/80/78/1071618078.db2.gz PVQOXWOFWJBKQT-QCLXOHTFSA-N 0 0 579.766 5.905 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408741280 1071626738 /nfs/dbraw/zinc/62/67/38/1071626738.db2.gz HXUWFOGPKKLQDC-WOJGMQOQSA-N 0 0 502.191 7.316 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)SC1=S ZINC000409005983 1071627075 /nfs/dbraw/zinc/62/70/75/1071627075.db2.gz HWWYEUKFAQTUOC-SXGWCWSVSA-N 0 0 625.266 5.835 40 10 KKCBRN CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000408741479 1071625742 /nfs/dbraw/zinc/62/57/42/1071625742.db2.gz JEWJFXPVPYYXMO-VIZOYTHASA-N 0 0 522.145 5.044 40 10 KKCBRN COc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000408740715 1071629629 /nfs/dbraw/zinc/62/96/29/1071629629.db2.gz DPEIYBXWPSMMFW-WUXMJOGZSA-N 0 0 514.995 5.964 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408740208 1071630741 /nfs/dbraw/zinc/63/07/41/1071630741.db2.gz JGOZJEMNGKBGGA-USHMODERSA-N 0 0 511.691 6.975 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000409003731 1071635600 /nfs/dbraw/zinc/63/56/00/1071635600.db2.gz KMKVHVKGCIBWJW-FYJGNVAPSA-N 0 0 568.413 5.027 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409003219 1071638123 /nfs/dbraw/zinc/63/81/23/1071638123.db2.gz YPLJUATWMMWDTB-CEUNXORHSA-N 0 0 644.534 7.235 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 ZINC000408755856 1071641433 /nfs/dbraw/zinc/64/14/33/1071641433.db2.gz PQEJYUKDBQDKBM-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001822 1071642994 /nfs/dbraw/zinc/64/29/94/1071642994.db2.gz WUNGCFKXKJMTNF-VWUPUJNNSA-N 0 0 654.207 7.259 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cccc(C)c4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409001166 1071646578 /nfs/dbraw/zinc/64/65/78/1071646578.db2.gz VBEBJHLWBIESCY-MXVRANJGSA-N 0 0 576.722 5.321 40 10 KKCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409000910 1071648198 /nfs/dbraw/zinc/64/81/98/1071648198.db2.gz NSUREAHNZUZXHV-UHFFFAOYSA-N 0 0 512.393 5.414 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408999981 1071652049 /nfs/dbraw/zinc/65/20/49/1071652049.db2.gz MALOSNJDPCKTDW-FYJGNVAPSA-N 0 0 527.860 8.095 40 10 KKCBRN CCc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408754093 1071653436 /nfs/dbraw/zinc/65/34/36/1071653436.db2.gz IKQPARVOGSEFPT-UHFFFAOYSA-N 0 0 505.643 6.405 40 10 KKCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408754077 1071653440 /nfs/dbraw/zinc/65/34/40/1071653440.db2.gz PHFMQJZVVYALFG-MTJSOVHGSA-N 0 0 558.397 5.138 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999087 1071656410 /nfs/dbraw/zinc/65/64/10/1071656410.db2.gz JZAGQYLAYFFWRF-SWBDNCPRSA-N 0 0 646.769 6.375 40 10 KKCBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408753438 1071658543 /nfs/dbraw/zinc/65/85/43/1071658543.db2.gz MSYCUCBUVOCERE-VULFUBBASA-N 0 0 576.556 6.584 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408998176 1071660220 /nfs/dbraw/zinc/66/02/20/1071660220.db2.gz IHLRCMAZNPLAJW-RGFRMHDHSA-N 0 0 620.569 5.367 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409016705 1071667220 /nfs/dbraw/zinc/66/72/20/1071667220.db2.gz GVLOJWCAJZAGEJ-GOQPZEPVSA-N 0 0 637.205 6.063 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409016346 1071668350 /nfs/dbraw/zinc/66/83/50/1071668350.db2.gz RMUXCUIWSHEELT-GOQPZEPVSA-N 0 0 620.750 5.548 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409014931 1071674592 /nfs/dbraw/zinc/67/45/92/1071674592.db2.gz QJFTXDHVXORNKC-XYGWBWBKSA-N 0 0 533.466 6.741 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(Cl)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409015558 1071670909 /nfs/dbraw/zinc/67/09/09/1071670909.db2.gz SMSZCCFFBZRTTQ-ZCTHSVRISA-N 0 0 709.604 7.031 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409015653 1071671327 /nfs/dbraw/zinc/67/13/27/1071671327.db2.gz CTZKFMHIAAPBCJ-HBMWKUFKSA-N 0 0 648.854 6.131 40 10 KKCBRN COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)N(c2ccccc2)C1=O ZINC000409015679 1071671362 /nfs/dbraw/zinc/67/13/62/1071671362.db2.gz PLWBDUOBRGEIOZ-HMMYKYKNSA-N 0 0 509.356 5.043 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409015506 1071671914 /nfs/dbraw/zinc/67/19/14/1071671914.db2.gz RHEZWGVILCFHNT-HMAPJEAMSA-N 0 0 510.512 5.999 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015015 1071673432 /nfs/dbraw/zinc/67/34/32/1071673432.db2.gz QXKHRCWKHXIMFM-JFLMPSFJSA-N 0 0 740.876 8.815 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409014115 1071677186 /nfs/dbraw/zinc/67/71/86/1071677186.db2.gz FFOZGCYUDYTFNE-KSEXSDGBSA-N 0 0 524.400 6.458 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409014215 1071677196 /nfs/dbraw/zinc/67/71/96/1071677196.db2.gz GNZYJSCFRCJDOE-OTHIGLTOSA-N 0 0 711.682 6.180 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409014223 1071677720 /nfs/dbraw/zinc/67/77/20/1071677720.db2.gz GVLUBYIOLLQCHK-VMCUCKNMSA-N 0 0 610.824 6.175 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013284 1071680900 /nfs/dbraw/zinc/68/09/00/1071680900.db2.gz MROMZUSSMXPQBX-XSFVSMFZSA-N 0 0 542.886 6.074 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013707 1071678877 /nfs/dbraw/zinc/67/88/77/1071678877.db2.gz NPBIESPNHXFNMN-ZCTHSVRISA-N 0 0 631.150 6.818 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409011787 1071686253 /nfs/dbraw/zinc/68/62/53/1071686253.db2.gz IOESTWAQXLKKRW-ZCTHSVRISA-N 0 0 631.150 6.505 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409012612 1071684041 /nfs/dbraw/zinc/68/40/41/1071684041.db2.gz KSRAZXFQBPAMQU-RGVLZGJSSA-N 0 0 623.276 6.025 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011389 1071687848 /nfs/dbraw/zinc/68/78/48/1071687848.db2.gz GJKSKFGIKVBDET-MTDXEUNCSA-N 0 0 550.083 7.060 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010303 1071692179 /nfs/dbraw/zinc/69/21/79/1071692179.db2.gz BXGYZDAZLBOBDL-XQQQEEOESA-N 0 0 680.006 6.483 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010144 1071692547 /nfs/dbraw/zinc/69/25/47/1071692547.db2.gz JTSDMLPNRBUWSX-WGOQTCKBSA-N 0 0 569.079 5.405 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409009870 1071693697 /nfs/dbraw/zinc/69/36/97/1071693697.db2.gz AFYVVUMVUHODGS-XKZIYDEJSA-N 0 0 511.405 6.287 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009883 1071693708 /nfs/dbraw/zinc/69/37/08/1071693708.db2.gz CHEKVUXEDCPESS-UJBXUPAJSA-N 0 0 659.588 6.138 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Oc4ccc(OC)cc4)cc3)C2=O)cc1 ZINC000408760253 1071697941 /nfs/dbraw/zinc/69/79/41/1071697941.db2.gz VMKBFGZKPZLVCS-NMWGTECJSA-N 0 0 509.989 7.621 40 10 KKCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408761078 1071694119 /nfs/dbraw/zinc/69/41/19/1071694119.db2.gz HJRTWGSAKUHLGZ-HYARGMPZSA-N 0 0 525.244 6.112 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009640 1071695191 /nfs/dbraw/zinc/69/51/91/1071695191.db2.gz HGLWJQGUAOCUNJ-VUTHCHCSSA-N 0 0 609.144 6.329 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009532 1071696168 /nfs/dbraw/zinc/69/61/68/1071696168.db2.gz GAZSMTGIJZIOBA-UXHLAJHPSA-N 0 0 651.568 7.163 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009281 1071696173 /nfs/dbraw/zinc/69/61/73/1071696173.db2.gz CULVJOLPMOMGEF-DYDGXOQUSA-N 0 0 624.759 6.721 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409009314 1071696188 /nfs/dbraw/zinc/69/61/88/1071696188.db2.gz DCMCKIUXGNJQOO-BKUYFWCQSA-N 0 0 514.931 6.644 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409008972 1071697259 /nfs/dbraw/zinc/69/72/59/1071697259.db2.gz AVIZWDDSOCCKOS-RDRPBHBLSA-N 0 0 649.010 7.653 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409009077 1071697284 /nfs/dbraw/zinc/69/72/84/1071697284.db2.gz UWRIJZCYOIQWCH-UQQQWYQISA-N 0 0 513.981 5.368 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409008970 1071697304 /nfs/dbraw/zinc/69/73/04/1071697304.db2.gz PLTHHXGDQIEMDD-KQWNVCNZSA-N 0 0 548.426 6.022 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408760219 1071697355 /nfs/dbraw/zinc/69/73/55/1071697355.db2.gz URJVSYOOEWJAEU-QRQIAZFYSA-N 0 0 540.088 7.113 40 10 KKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408760464 1071697396 /nfs/dbraw/zinc/69/73/96/1071697396.db2.gz YZUGOQPGAVQUBN-XQNSMLJCSA-N 0 0 543.873 8.305 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408759982 1071699123 /nfs/dbraw/zinc/69/91/23/1071699123.db2.gz PLXVKRGHWHCGQR-TYPXCFOJSA-N 0 0 520.576 7.486 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC1=S ZINC000409008421 1071699408 /nfs/dbraw/zinc/69/94/08/1071699408.db2.gz YFFHYLFPEGIHPV-SXGWCWSVSA-N 0 0 558.273 5.920 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC1=S ZINC000409007999 1071701735 /nfs/dbraw/zinc/70/17/35/1071701735.db2.gz UDWKYZSTWXXSGC-SXGWCWSVSA-N 0 0 652.273 5.604 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409027004 1071705449 /nfs/dbraw/zinc/70/54/49/1071705449.db2.gz OJEAKJXUWFDXBV-LSCVHKIXSA-N 0 0 591.254 5.682 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408758328 1071705511 /nfs/dbraw/zinc/70/55/11/1071705511.db2.gz XWTYUWSHEVMGCK-LHKANKDISA-N 0 0 619.790 7.402 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409025796 1071707556 /nfs/dbraw/zinc/70/75/56/1071707556.db2.gz WVINXZSKUREMRD-ZDLGFXPLSA-N 0 0 509.809 5.187 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024448 1071711229 /nfs/dbraw/zinc/71/12/29/1071711229.db2.gz YMMGIYDPTVQYML-JLHDDXNDSA-N 0 0 648.623 6.066 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409023887 1071713690 /nfs/dbraw/zinc/71/36/90/1071713690.db2.gz MEDYTJUOQKBQFV-KOEQRZSOSA-N 0 0 557.075 5.887 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409023739 1071714086 /nfs/dbraw/zinc/71/40/86/1071714086.db2.gz NXMNGFUREWFFOK-GJKZIJEQSA-N 0 0 558.707 5.590 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409021858 1071720963 /nfs/dbraw/zinc/72/09/63/1071720963.db2.gz CJEKKXJBUNYFHG-DDIUQFJASA-N 0 0 633.214 5.714 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409023014 1071716819 /nfs/dbraw/zinc/71/68/19/1071716819.db2.gz BBKYRZQKIOJEEP-HVDVVURSSA-N 0 0 598.769 5.059 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000408766487 1071719527 /nfs/dbraw/zinc/71/95/27/1071719527.db2.gz RKINRSSIPUEDGR-CIAFOILYSA-N 0 0 542.227 6.063 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)OC)c5C)c4C)c(=O)n32)cc1 ZINC000409021474 1071723187 /nfs/dbraw/zinc/72/31/87/1071723187.db2.gz JNZWZTYLFZQLDX-DDIUQFJASA-N 0 0 627.763 5.088 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408765684 1071723289 /nfs/dbraw/zinc/72/32/89/1071723289.db2.gz NEVIYHIQIQCRNY-RGVLZGJSSA-N 0 0 506.614 7.244 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409021027 1071724366 /nfs/dbraw/zinc/72/43/66/1071724366.db2.gz WZWNMDFGXDLJLX-UZWMFBFFSA-N 0 0 661.176 6.908 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409020851 1071724669 /nfs/dbraw/zinc/72/46/69/1071724669.db2.gz USRNMJXKBNSIJG-MFKUBSTISA-N 0 0 606.473 5.181 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020781 1071726065 /nfs/dbraw/zinc/72/60/65/1071726065.db2.gz TWVNRIPTTOYXTM-NDZAJKAJSA-N 0 0 651.568 7.245 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409018928 1071730950 /nfs/dbraw/zinc/73/09/50/1071730950.db2.gz XHTBJEKBOOJZFS-HNVAQCFTSA-N 0 0 638.189 6.314 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409018795 1071731338 /nfs/dbraw/zinc/73/13/38/1071731338.db2.gz UZFZFXLBALCYPN-FUZBLHKMSA-N 0 0 675.807 5.837 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409018715 1071732197 /nfs/dbraw/zinc/73/21/97/1071732197.db2.gz YOTXYRYBSFTEQE-LFVJCYFKSA-N 0 0 543.048 5.497 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1F ZINC000409037075 1071738269 /nfs/dbraw/zinc/73/82/69/1071738269.db2.gz XJVMDUDZSWBAGV-NVNXTCNLSA-N 0 0 632.298 6.520 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409018028 1071733535 /nfs/dbraw/zinc/73/35/35/1071733535.db2.gz POUKNVASXJAGSD-SLZKQOKCSA-N 0 0 617.727 5.380 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409037082 1071738275 /nfs/dbraw/zinc/73/82/75/1071738275.db2.gz MWYIJIYRUYLKLV-LZYBPNLTSA-N 0 0 626.332 6.837 40 10 KKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408762728 1071734686 /nfs/dbraw/zinc/73/46/86/1071734686.db2.gz KZENQYHVTBECHJ-HZHRSRAPSA-N 0 0 543.873 8.305 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3Br)C2=O)cc1OC ZINC000408761265 1071740243 /nfs/dbraw/zinc/74/02/43/1071740243.db2.gz DMRSLLHUHYJWMI-CPNJWEJPSA-N 0 0 510.815 6.899 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409036650 1071741617 /nfs/dbraw/zinc/74/16/17/1071741617.db2.gz LDWOCDMRSIBJKE-VIZOYTHASA-N 0 0 659.305 6.289 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)sc2=N1 ZINC000409036278 1071743026 /nfs/dbraw/zinc/74/30/26/1071743026.db2.gz VIHOBRKJCPZVDP-XNMXCUJWSA-N 0 0 682.640 6.547 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1F ZINC000409036243 1071745172 /nfs/dbraw/zinc/74/51/72/1071745172.db2.gz BCHXGXVYXOVFOJ-VGOFMYFVSA-N 0 0 632.298 6.520 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408777003 1071746574 /nfs/dbraw/zinc/74/65/74/1071746574.db2.gz ULTYARJGQMAXOH-IWIPYMOSSA-N 0 0 565.395 5.483 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409035750 1071748903 /nfs/dbraw/zinc/74/89/03/1071748903.db2.gz QPIFZGFVNGMGCT-SXGWCWSVSA-N 0 0 537.828 6.329 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc2ccccc21 ZINC000409035373 1071753096 /nfs/dbraw/zinc/75/30/96/1071753096.db2.gz SLOZARNIJHZMCR-JAIQZWGSSA-N 0 0 664.368 7.534 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1Cl ZINC000409035683 1071750269 /nfs/dbraw/zinc/75/02/69/1071750269.db2.gz TWVHOXCVINWUJE-MHWRWJLKSA-N 0 0 536.884 6.819 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000409034711 1071757516 /nfs/dbraw/zinc/75/75/16/1071757516.db2.gz QUHCDMZVIWDODC-HRIDGTDGSA-N 0 0 634.596 5.757 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409034513 1071760863 /nfs/dbraw/zinc/76/08/63/1071760863.db2.gz HIPPSMZXAGXOFL-OYKKKHCWSA-N 0 0 603.547 7.279 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034187 1071763445 /nfs/dbraw/zinc/76/34/45/1071763445.db2.gz MRQKSBABQQUASG-LMGFFNHESA-N 0 0 770.304 6.389 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)S2)cc1 ZINC000408773902 1071765883 /nfs/dbraw/zinc/76/58/83/1071765883.db2.gz MWGUVDUVZZWTIF-WSJOCJMASA-N 0 0 537.773 7.724 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409033877 1071766208 /nfs/dbraw/zinc/76/62/08/1071766208.db2.gz GHTIXMGOOUKVPA-UDWIEESQSA-N 0 0 569.511 7.542 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000408772910 1071770586 /nfs/dbraw/zinc/77/05/86/1071770586.db2.gz NFFKQFIVLNQHHN-ROTLSHHCSA-N 0 0 525.432 6.677 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408772610 1071771783 /nfs/dbraw/zinc/77/17/83/1071771783.db2.gz PUYISDZTBKYPCD-UQQQWYQISA-N 0 0 516.981 5.625 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408771670 1071779532 /nfs/dbraw/zinc/77/95/32/1071779532.db2.gz AEPDMWJALBHAJL-ULJHMMPZSA-N 0 0 547.007 5.633 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408771148 1071781761 /nfs/dbraw/zinc/78/17/61/1071781761.db2.gz DLPSBDBLFQQHBC-QJOMJCCJSA-N 0 0 550.665 6.672 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1O[C@H](C)CC ZINC000409031834 1071785524 /nfs/dbraw/zinc/78/55/24/1071785524.db2.gz AXNTUDUVKPVFSE-QVASGMJFSA-N 0 0 547.318 6.527 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031966 1071784140 /nfs/dbraw/zinc/78/41/40/1071784140.db2.gz BUOIPHPJMAHYHM-MRWVFDTMSA-N 0 0 599.753 5.310 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(C)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769729 1071790804 /nfs/dbraw/zinc/79/08/04/1071790804.db2.gz OFLWYWIIJMAZEI-DUCIMOQJSA-N 0 0 557.719 6.043 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770388 1071786593 /nfs/dbraw/zinc/78/65/93/1071786593.db2.gz WZGRENMMGQNEGZ-ALUWMOPFSA-N 0 0 671.013 5.639 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)sc2=N1 ZINC000409031089 1071791631 /nfs/dbraw/zinc/79/16/31/1071791631.db2.gz ITQRRFSVCYIHLQ-ITNPZBTBSA-N 0 0 604.172 5.956 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OC ZINC000409031169 1071789534 /nfs/dbraw/zinc/78/95/34/1071789534.db2.gz JDOYIZYRBXNMPI-YHYXMXQVSA-N 0 0 552.237 5.200 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccccc1 ZINC000409030431 1071796825 /nfs/dbraw/zinc/79/68/25/1071796825.db2.gz DIMSJQDWMQZISJ-CXUHLZMHSA-N 0 0 581.335 6.928 40 10 KKCBRN CC(=O)Oc1c(I)cc(I)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409030599 1071795842 /nfs/dbraw/zinc/79/58/42/1071795842.db2.gz GLTYIALPVOQKKZ-WMZJFQQLSA-N 0 0 662.090 5.323 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc(Cl)c1 ZINC000409030161 1071799898 /nfs/dbraw/zinc/79/98/98/1071799898.db2.gz CFDYLFMSLTUPGU-YBEGLDIGSA-N 0 0 522.857 6.429 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408768120 1071803405 /nfs/dbraw/zinc/80/34/05/1071803405.db2.gz BZKNZQPTFYVUNJ-MYYYXRDXSA-N 0 0 561.432 5.652 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408781865 1071814910 /nfs/dbraw/zinc/81/49/10/1071814910.db2.gz FMCSPAKWJAWNOS-DBSPGSINSA-N 0 0 639.865 8.927 40 10 KKCBRN CCOC(=O)COc1c(I)cc(I)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409038306 1071816270 /nfs/dbraw/zinc/81/62/70/1071816270.db2.gz VGCLUUGVOOIPNS-WZUFQYTHSA-N 0 0 706.143 5.339 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409037335 1071823820 /nfs/dbraw/zinc/82/38/20/1071823820.db2.gz NDWQDJRPTHOHMU-SXGWCWSVSA-N 0 0 550.314 7.498 40 10 KKCBRN CCOc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)cc1OC ZINC000409038003 1071819415 /nfs/dbraw/zinc/81/94/15/1071819415.db2.gz UJJGOVUXUDLZGS-WDZFZDKYSA-N 0 0 505.237 5.358 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045592 1071825616 /nfs/dbraw/zinc/82/56/16/1071825616.db2.gz ZRGJRISHTHMHMV-OEAKJJBVSA-N 0 0 548.437 5.980 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408779175 1071830794 /nfs/dbraw/zinc/83/07/94/1071830794.db2.gz BJEOAFVXGMXUCQ-OKMHPQNISA-N 0 0 600.546 7.172 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408779174 1071830963 /nfs/dbraw/zinc/83/09/63/1071830963.db2.gz BJEOAFVXGMXUCQ-OCDQFKQQSA-N 0 0 600.546 7.172 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000409046381 1071832037 /nfs/dbraw/zinc/83/20/37/1071832037.db2.gz KAWLKRRFJAWFLM-OVCLIPMQSA-N 0 0 710.178 6.976 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409046060 1071834544 /nfs/dbraw/zinc/83/45/44/1071834544.db2.gz IEMQVQRDZTZMAX-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409045746 1071840247 /nfs/dbraw/zinc/84/02/47/1071840247.db2.gz HOPDYXLTHBHKRA-VCHYOVAHSA-N 0 0 590.655 6.110 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)c1 ZINC000408777667 1071841975 /nfs/dbraw/zinc/84/19/75/1071841975.db2.gz FNYSFUPDRXJQDS-GONGWJOBSA-N 0 0 588.733 5.598 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409045092 1071843278 /nfs/dbraw/zinc/84/32/78/1071843278.db2.gz HPXSPAUWLIKSIJ-BJMVGYQFSA-N 0 0 505.237 5.358 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408786362 1071850440 /nfs/dbraw/zinc/85/04/40/1071850440.db2.gz IKDLZKMDBSEYQI-UCQKPKSFSA-N 0 0 525.830 6.387 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408786107 1071853141 /nfs/dbraw/zinc/85/31/41/1071853141.db2.gz MGDPUYZTJYFRAS-DCVRHQNFSA-N 0 0 554.643 5.609 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409044076 1071853244 /nfs/dbraw/zinc/85/32/44/1071853244.db2.gz NRSLMGRYYBLHGQ-CHHVJCJISA-N 0 0 695.074 8.055 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409043876 1071853534 /nfs/dbraw/zinc/85/35/34/1071853534.db2.gz FQNQWJDYLGXBCX-UNOMPAQXSA-N 0 0 542.891 7.574 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408784879 1071860030 /nfs/dbraw/zinc/86/00/30/1071860030.db2.gz UUFZLWKQVGAXJL-IMRQLAEWSA-N 0 0 510.590 5.588 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)c1 ZINC000408785127 1071860100 /nfs/dbraw/zinc/86/01/00/1071860100.db2.gz YUAAZXTYRZDGQF-KFOJKGMOSA-N 0 0 714.629 6.203 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000409043154 1071860642 /nfs/dbraw/zinc/86/06/42/1071860642.db2.gz ZTVPZHQZPOWXQJ-HRIDGTDGSA-N 0 0 590.145 5.648 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408784857 1071862659 /nfs/dbraw/zinc/86/26/59/1071862659.db2.gz VVDNRUVMDRRSIJ-XYGWBWBKSA-N 0 0 561.432 5.022 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000409042912 1071864295 /nfs/dbraw/zinc/86/42/95/1071864295.db2.gz LMQXHXHPNCWTLC-LHHJGKSTSA-N 0 0 611.317 6.267 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000409042894 1071864339 /nfs/dbraw/zinc/86/43/39/1071864339.db2.gz LGTQCTGYLLSWEM-KEPJHFNWSA-N 0 0 679.593 5.665 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409042975 1071864901 /nfs/dbraw/zinc/86/49/01/1071864901.db2.gz MBIOKTITFXZURE-MLPAPPSSSA-N 0 0 657.302 6.958 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)sc2=N1 ZINC000409042798 1071866295 /nfs/dbraw/zinc/86/62/95/1071866295.db2.gz XUAGXGJLQZKPRM-QTTRZTASSA-N 0 0 637.543 5.119 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409042498 1071869608 /nfs/dbraw/zinc/86/96/08/1071869608.db2.gz XSGHZVSMBUHBND-ZROIWOOFSA-N 0 0 557.302 7.083 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408782679 1071875043 /nfs/dbraw/zinc/87/50/43/1071875043.db2.gz IPQHGEDGJSEQOR-UHFFFAOYSA-N 0 0 506.543 5.891 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)c1 ZINC000409041861 1071875855 /nfs/dbraw/zinc/87/58/55/1071875855.db2.gz VYLZAHBTKDIROG-LICLKQGHSA-N 0 0 503.427 5.382 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408787318 1071876250 /nfs/dbraw/zinc/87/62/50/1071876250.db2.gz XMZPNKDCNIXGDR-UQQQWYQISA-N 0 0 545.035 6.358 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000409041702 1071876520 /nfs/dbraw/zinc/87/65/20/1071876520.db2.gz JHGFHUSLAXVFJD-WMZJFQQLSA-N 0 0 534.235 5.646 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccccc2Cl)c2ccccc12 ZINC000409041542 1071878297 /nfs/dbraw/zinc/87/82/97/1071878297.db2.gz ANTRSJAFGWDHCE-XDHOZWIPSA-N 0 0 558.959 8.287 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409040356 1071891835 /nfs/dbraw/zinc/89/18/35/1071891835.db2.gz HUWYCBNZMHCLAU-VIZOYTHASA-N 0 0 659.305 6.289 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041073 1071885780 /nfs/dbraw/zinc/88/57/80/1071885780.db2.gz ZBFWZMXVCVKAGQ-IMUCPKNRSA-N 0 0 599.753 5.310 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000409040432 1071890320 /nfs/dbraw/zinc/89/03/20/1071890320.db2.gz IFGUSJUVRGYOHA-CXUHLZMHSA-N 0 0 506.402 5.915 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408791234 1071891712 /nfs/dbraw/zinc/89/17/12/1071891712.db2.gz XOPDQONKYWJNDV-PKAZHMFMSA-N 0 0 528.580 5.727 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408788763 1071897900 /nfs/dbraw/zinc/89/79/00/1071897900.db2.gz GNYHDKOMRSQCDZ-HPUZFYODSA-N 0 0 531.008 5.791 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(C)cc1 ZINC000409039373 1071899270 /nfs/dbraw/zinc/89/92/70/1071899270.db2.gz GLVVYBHQNLIGAA-LICLKQGHSA-N 0 0 502.439 6.084 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000409039291 1071900879 /nfs/dbraw/zinc/90/08/79/1071900879.db2.gz RCWFQCIZKRZVBJ-LICLKQGHSA-N 0 0 520.429 6.305 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409038374 1071908948 /nfs/dbraw/zinc/90/89/48/1071908948.db2.gz OPHHTZQPKRJWFS-PXNMLYILSA-N 0 0 615.780 7.582 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409056994 1071918697 /nfs/dbraw/zinc/91/86/97/1071918697.db2.gz FZSWEPCQBJSGJI-BKUYFWCQSA-N 0 0 548.483 7.009 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409056403 1071922503 /nfs/dbraw/zinc/92/25/03/1071922503.db2.gz REZQFLAHBMHGOJ-UUYOSTAYSA-N 0 0 623.819 8.154 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409056140 1071923227 /nfs/dbraw/zinc/92/32/27/1071923227.db2.gz GJOWJJVRUQKZPH-UCQKPKSFSA-N 0 0 505.014 6.250 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409056004 1071923580 /nfs/dbraw/zinc/92/35/80/1071923580.db2.gz FXXRVVFRAXVDMD-IWIPYMOSSA-N 0 0 523.402 6.263 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409055884 1071924638 /nfs/dbraw/zinc/92/46/38/1071924638.db2.gz BNVDETUVMVQIMP-MTJSOVHGSA-N 0 0 541.431 6.295 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000409055690 1071925117 /nfs/dbraw/zinc/92/51/17/1071925117.db2.gz PFNDUZLLTTZYAV-GATIEOLUSA-N 0 0 509.433 6.895 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409055710 1071925639 /nfs/dbraw/zinc/92/56/39/1071925639.db2.gz ANIMPVURFKMQDS-JLPGSUDCSA-N 0 0 509.046 6.319 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409054372 1071934734 /nfs/dbraw/zinc/93/47/34/1071934734.db2.gz VFNIXMCEGQGLDV-YVNNLAQVSA-N 0 0 658.264 8.807 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409055206 1071929462 /nfs/dbraw/zinc/92/94/62/1071929462.db2.gz DHLVWDBUDWZFPK-UMWOECMCSA-N 0 0 577.750 5.659 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409053980 1071935611 /nfs/dbraw/zinc/93/56/11/1071935611.db2.gz KZSNLNIKEPLRIT-JUNLCRQGSA-N 0 0 557.760 5.611 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409054765 1071932738 /nfs/dbraw/zinc/93/27/38/1071932738.db2.gz NRTGWYHGRGEQKA-QFEZKATASA-N 0 0 519.439 6.351 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409054345 1071934101 /nfs/dbraw/zinc/93/41/01/1071934101.db2.gz JCZKOGXHVCKWIG-QRVIBDJDSA-N 0 0 509.375 5.873 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409054036 1071936237 /nfs/dbraw/zinc/93/62/37/1071936237.db2.gz LXKXQWKLKMGWBZ-YNMQQHPQSA-N 0 0 624.601 5.258 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000409054078 1071936727 /nfs/dbraw/zinc/93/67/27/1071936727.db2.gz QYNMEMCFAYJBIL-QRVIBDJDSA-N 0 0 528.468 6.877 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409050912 1071954595 /nfs/dbraw/zinc/95/45/95/1071954595.db2.gz CYHOXWDTHCGDIK-OYKKKHCWSA-N 0 0 635.976 7.632 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)sc2=N1 ZINC000409049737 1071962313 /nfs/dbraw/zinc/96/23/13/1071962313.db2.gz ZVSVHTIUNYCNLO-XNMXCUJWSA-N 0 0 638.189 6.438 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000409049328 1071964494 /nfs/dbraw/zinc/96/44/94/1071964494.db2.gz QJGSSTOPJAZMST-MKMNVTDBSA-N 0 0 728.168 7.116 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409049003 1071967350 /nfs/dbraw/zinc/96/73/50/1071967350.db2.gz PQOFBGMBAOVADD-HAHDFKILSA-N 0 0 558.506 8.074 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409048712 1071968266 /nfs/dbraw/zinc/96/82/66/1071968266.db2.gz UUGSXELFSYACKE-RGVLZGJSSA-N 0 0 634.708 6.509 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409048718 1071968784 /nfs/dbraw/zinc/96/87/84/1071968784.db2.gz UWZXEUHJRKITPD-MFKUBSTISA-N 0 0 576.288 7.750 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048459 1071971011 /nfs/dbraw/zinc/97/10/11/1071971011.db2.gz ORHHVYSJYASYGJ-QPKMOXKASA-N 0 0 726.295 7.234 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409048078 1071975564 /nfs/dbraw/zinc/97/55/64/1071975564.db2.gz QZZIQBAKJIZXJK-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)cc1Cl ZINC000409047920 1071976768 /nfs/dbraw/zinc/97/67/68/1071976768.db2.gz NQHBGBFMDTWCHC-VXLYETTFSA-N 0 0 542.388 7.837 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409059378 1071980458 /nfs/dbraw/zinc/98/04/58/1071980458.db2.gz MSGAFWJUHKIECV-HAIKFBFFSA-N 0 0 557.760 5.692 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409059447 1071980890 /nfs/dbraw/zinc/98/08/90/1071980890.db2.gz RAEPXLXJKAKXEF-XYGWBWBKSA-N 0 0 523.471 6.420 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409059210 1071981543 /nfs/dbraw/zinc/98/15/43/1071981543.db2.gz VJOIUJWBCRSHNS-UCQKPKSFSA-N 0 0 506.986 5.642 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409059212 1071981753 /nfs/dbraw/zinc/98/17/53/1071981753.db2.gz VLRJJTDZMBGJLF-UHFFFAOYSA-N 0 0 622.302 7.918 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409058621 1071985562 /nfs/dbraw/zinc/98/55/62/1071985562.db2.gz UCGNOBNVYWFYDL-UCQKPKSFSA-N 0 0 506.986 5.642 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409058989 1071983992 /nfs/dbraw/zinc/98/39/92/1071983992.db2.gz QDIKDCOBFLPGSP-FMCGGJTJSA-N 0 0 509.433 6.895 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409058185 1071988265 /nfs/dbraw/zinc/98/82/65/1071988265.db2.gz SBHLCLAAYAMRKP-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409058077 1071989067 /nfs/dbraw/zinc/98/90/67/1071989067.db2.gz RBVGLDAFYOIZRS-OEAKJJBVSA-N 0 0 503.986 5.871 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409058066 1071989177 /nfs/dbraw/zinc/98/91/77/1071989177.db2.gz QYBDZPIMPILROL-QRVIBDJDSA-N 0 0 514.043 6.777 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409058140 1071989721 /nfs/dbraw/zinc/98/97/21/1071989721.db2.gz RPGHBSXJIUACTB-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066668 1072001343 /nfs/dbraw/zinc/00/13/43/1072001343.db2.gz CEJMTLBKBFOSAF-FYJGNVAPSA-N 0 0 622.868 5.917 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409066759 1072001757 /nfs/dbraw/zinc/00/17/57/1072001757.db2.gz NWUKYZSHRKUJSM-SDCZFJSOSA-N 0 0 508.571 5.410 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409066553 1072002318 /nfs/dbraw/zinc/00/23/18/1072002318.db2.gz VZPFWXFDVHYHSK-ACHQHTMYSA-N 0 0 751.687 6.227 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409066123 1072004485 /nfs/dbraw/zinc/00/44/85/1072004485.db2.gz HGHMLPGKUYTDPR-UCQKPKSFSA-N 0 0 553.442 6.455 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409065926 1072005243 /nfs/dbraw/zinc/00/52/43/1072005243.db2.gz GJFKWYOGALKMLO-POKSHJSXSA-N 0 0 658.618 5.615 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409064987 1072011984 /nfs/dbraw/zinc/01/19/84/1072011984.db2.gz RLRIGWJQKAPLQX-ONUIUJJFSA-N 0 0 609.082 7.580 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409064841 1072012654 /nfs/dbraw/zinc/01/26/54/1072012654.db2.gz QEBIFUKDTXEZIF-VKSQQWFDSA-N 0 0 704.205 5.224 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409062881 1072022511 /nfs/dbraw/zinc/02/25/11/1072022511.db2.gz CHSLKRHCNHAGJD-QRQIAZFYSA-N 0 0 584.539 7.222 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409062560 1072023332 /nfs/dbraw/zinc/02/33/32/1072023332.db2.gz WTIRZFHIWSTOLW-FMCGGJTJSA-N 0 0 539.857 6.696 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409062647 1072023747 /nfs/dbraw/zinc/02/37/47/1072023747.db2.gz YIDCYIGLYAVCKI-XYGWBWBKSA-N 0 0 549.067 5.988 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409062428 1072023937 /nfs/dbraw/zinc/02/39/37/1072023937.db2.gz URWIOOWLHCMTJB-ZJOBTTRRSA-N 0 0 595.790 5.566 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409060594 1072033788 /nfs/dbraw/zinc/03/37/88/1072033788.db2.gz VBGUWPPNDRZWHN-UCQKPKSFSA-N 0 0 569.883 6.786 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409060649 1072033901 /nfs/dbraw/zinc/03/39/01/1072033901.db2.gz SAGUXQCTONDLIU-RMORIDSASA-N 0 0 515.824 6.932 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409059762 1072038835 /nfs/dbraw/zinc/03/88/35/1072038835.db2.gz XLVCWXDKARCZKC-KSEXSDGBSA-N 0 0 656.394 7.895 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409077123 1072043784 /nfs/dbraw/zinc/04/37/84/1072043784.db2.gz CZDKPQWHKOPXGA-GPMKDSKKSA-N 0 0 638.230 7.478 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409076663 1072049346 /nfs/dbraw/zinc/04/93/46/1072049346.db2.gz BMTRBCPWHBDXRF-ONUIUJJFSA-N 0 0 543.450 7.806 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409076542 1072051292 /nfs/dbraw/zinc/05/12/92/1072051292.db2.gz AKKYWOCWDBGYGB-ITYLOYPMSA-N 0 0 523.430 7.171 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409075187 1072062966 /nfs/dbraw/zinc/06/29/66/1072062966.db2.gz XEGWPWULJTVBME-QQXSKIMKSA-N 0 0 533.466 6.741 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409074101 1072069618 /nfs/dbraw/zinc/06/96/18/1072069618.db2.gz XXHAAAHWAXYMQH-YBFXNURJSA-N 0 0 521.809 6.221 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409072507 1072081884 /nfs/dbraw/zinc/08/18/84/1072081884.db2.gz CJIXDGMSNSGBMC-UHFFFAOYSA-N 0 0 593.444 6.345 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409069518 1072103160 /nfs/dbraw/zinc/10/31/60/1072103160.db2.gz VWWYNUZSWQZSCY-UHFFFAOYSA-N 0 0 558.999 5.691 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409069160 1072104934 /nfs/dbraw/zinc/10/49/34/1072104934.db2.gz LPEZNBRUHLPZEB-AQHIEDMUSA-N 0 0 529.851 7.240 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409080875 1072118744 /nfs/dbraw/zinc/11/87/44/1072118744.db2.gz NZOJRJQGYPTGBP-UXHLAJHPSA-N 0 0 820.490 8.993 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409080206 1072126938 /nfs/dbraw/zinc/12/69/38/1072126938.db2.gz MVEYQJSQOXIRCH-XYGWBWBKSA-N 0 0 573.874 7.525 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077919 1072150177 /nfs/dbraw/zinc/15/01/77/1072150177.db2.gz BIAVUSRDWFUGHA-PLRJNAJWSA-N 0 0 559.441 6.051 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409087056 1072160734 /nfs/dbraw/zinc/16/07/34/1072160734.db2.gz AERGXYGOFMDBEQ-CTPANLQCSA-N 0 0 599.487 5.788 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409077493 1072154763 /nfs/dbraw/zinc/15/47/63/1072154763.db2.gz FQCWOWJNACJRCB-DZGUVLCISA-N 0 0 514.883 6.606 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409086668 1072162772 /nfs/dbraw/zinc/16/27/72/1072162772.db2.gz RLKYGKDAUIYOND-ISRVBRPNSA-N 0 0 508.434 5.547 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409086666 1072162830 /nfs/dbraw/zinc/16/28/30/1072162830.db2.gz RLKYGKDAUIYOND-HDOAHBKWSA-N 0 0 508.434 5.547 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000409086526 1072164589 /nfs/dbraw/zinc/16/45/89/1072164589.db2.gz VVDKJPQOKACKBN-ONUIUJJFSA-N 0 0 679.352 7.866 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000409086087 1072169810 /nfs/dbraw/zinc/16/98/10/1072169810.db2.gz YFZJIBNTQGYDNK-JLPGSUDCSA-N 0 0 512.968 6.901 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409085103 1072182218 /nfs/dbraw/zinc/18/22/18/1072182218.db2.gz WOLOBCXMDJPJIQ-XYGWBWBKSA-N 0 0 557.419 7.010 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3cc(OC)c(OCC)cc3Br)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409084925 1072183277 /nfs/dbraw/zinc/18/32/77/1072183277.db2.gz NLOWPHVTOWUDST-SOJUGJLBSA-N 0 0 722.658 5.552 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409084839 1072185301 /nfs/dbraw/zinc/18/53/01/1072185301.db2.gz NAQVKYPGVHHVIH-ONUIUJJFSA-N 0 0 526.995 7.291 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409084887 1072185881 /nfs/dbraw/zinc/18/58/81/1072185881.db2.gz QXSBWRMLHIZRTE-XHPQRKPJSA-N 0 0 559.043 6.341 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083919 1072195068 /nfs/dbraw/zinc/19/50/68/1072195068.db2.gz LVOCRIRXEOAGGQ-XIHDXPBISA-N 0 0 776.491 5.980 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409083735 1072196031 /nfs/dbraw/zinc/19/60/31/1072196031.db2.gz VWKNEBFJKRTYSF-UZQMFHLOSA-N 0 0 613.393 6.570 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409083998 1072196146 /nfs/dbraw/zinc/19/61/46/1072196146.db2.gz VBEIIVARELWJJZ-DZGUVLCISA-N 0 0 587.330 6.310 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083145 1072202480 /nfs/dbraw/zinc/20/24/80/1072202480.db2.gz NPGGXKYKSMLRDX-UHFFFAOYSA-N 0 0 696.432 8.151 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409082421 1072210545 /nfs/dbraw/zinc/21/05/45/1072210545.db2.gz MAHIXRUFCHZJJH-UYRXBGFRSA-N 0 0 512.201 6.055 40 10 KKCBRN O=C1C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409082290 1072213010 /nfs/dbraw/zinc/21/30/10/1072213010.db2.gz PQHUOEHYASXQKX-UHFFFAOYSA-N 0 0 573.483 6.989 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409081846 1072217942 /nfs/dbraw/zinc/21/79/42/1072217942.db2.gz QMVJWVRVBROZLJ-QEMKNDADSA-N 0 0 631.557 6.802 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409081867 1072217956 /nfs/dbraw/zinc/21/79/56/1072217956.db2.gz IECBCZFUXKYCPL-UQQQWYQISA-N 0 0 650.494 6.210 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409081531 1072220855 /nfs/dbraw/zinc/22/08/55/1072220855.db2.gz PVSDSUYJULCTRX-ITYLOYPMSA-N 0 0 664.521 6.601 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1O ZINC000409081603 1072221647 /nfs/dbraw/zinc/22/16/47/1072221647.db2.gz QJUORMFRDAOINK-UYRXBGFRSA-N 0 0 510.331 5.230 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087334 1072228641 /nfs/dbraw/zinc/22/86/41/1072228641.db2.gz CEYBANBLKBQBFV-BRPDVVIDSA-N 0 0 515.012 7.907 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409096597 1072232380 /nfs/dbraw/zinc/23/23/80/1072232380.db2.gz GCXWZCGMNKGYQI-LQKURTRISA-N 0 0 698.035 8.877 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409326658 1072247208 /nfs/dbraw/zinc/24/72/08/1072247208.db2.gz DBWDSWDCVHSJMJ-FMCGGJTJSA-N 0 0 571.474 6.659 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409327249 1072240562 /nfs/dbraw/zinc/24/05/62/1072240562.db2.gz IQRDPBKVPZEJDT-PCLIKHOPSA-N 0 0 553.547 7.280 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409327283 1072241073 /nfs/dbraw/zinc/24/10/73/1072241073.db2.gz IVKBBYKUZNMUPZ-ZMOGYAJESA-N 0 0 545.513 7.053 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409326442 1072247591 /nfs/dbraw/zinc/24/75/91/1072247591.db2.gz BUFOJWGYVXXMJJ-SRZZPIQSSA-N 0 0 518.404 6.712 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409094875 1072243373 /nfs/dbraw/zinc/24/33/73/1072243373.db2.gz GEIGZFUDOUOZRI-QCLXOHTFSA-N 0 0 594.781 5.256 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409327080 1072243660 /nfs/dbraw/zinc/24/36/60/1072243660.db2.gz HPYFHZFTCBFWDG-PCLIKHOPSA-N 0 0 535.647 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409326828 1072243687 /nfs/dbraw/zinc/24/36/87/1072243687.db2.gz FAUKPPAIUXRIMZ-UCQKPKSFSA-N 0 0 585.501 6.736 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409326865 1072244111 /nfs/dbraw/zinc/24/41/11/1072244111.db2.gz FODLKPMIJDXLCL-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409326698 1072244497 /nfs/dbraw/zinc/24/44/97/1072244497.db2.gz DLTIPRMQPQTPQN-OEAKJJBVSA-N 0 0 680.973 6.477 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409093451 1072253253 /nfs/dbraw/zinc/25/32/53/1072253253.db2.gz ZJIHUZMGXGFHIK-UMUMUWHJSA-N 0 0 508.036 5.837 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094006 1072248744 /nfs/dbraw/zinc/24/87/44/1072248744.db2.gz CHTGPHGUQAEWHB-GQFYKFLTSA-N 0 0 660.840 6.195 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OC(C)C ZINC000409093726 1072250656 /nfs/dbraw/zinc/25/06/56/1072250656.db2.gz BHTNAOZXTMPSQV-ZVHZXABRSA-N 0 0 522.623 6.280 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000409093373 1072252200 /nfs/dbraw/zinc/25/22/00/1072252200.db2.gz ZHFMUIJSIOUMHI-DIBXZPPDSA-N 0 0 509.005 7.152 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092696 1072260385 /nfs/dbraw/zinc/26/03/85/1072260385.db2.gz VTIMWTRQDGVWRG-YBFXNURJSA-N 0 0 637.352 7.215 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 ZINC000409092420 1072263073 /nfs/dbraw/zinc/26/30/73/1072263073.db2.gz XXUHQGAIZWBEJV-FSJBWODESA-N 0 0 528.005 5.960 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409092000 1072267135 /nfs/dbraw/zinc/26/71/35/1072267135.db2.gz WUMHQYQSOGWDNO-ZZXMARCTSA-N 0 0 632.830 6.290 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409091110 1072275146 /nfs/dbraw/zinc/27/51/46/1072275146.db2.gz PINVATCWODUJLJ-WCEBZYJUSA-N 0 0 615.942 6.303 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)C2=O)cc1 ZINC000409091702 1072269754 /nfs/dbraw/zinc/26/97/54/1072269754.db2.gz TXFGSNAILZJFDG-MFKUBSTISA-N 0 0 547.633 5.263 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409090739 1072277058 /nfs/dbraw/zinc/27/70/58/1072277058.db2.gz PWEGINARHNHOGU-MFKUBSTISA-N 0 0 696.450 8.709 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409090817 1072277896 /nfs/dbraw/zinc/27/78/96/1072277896.db2.gz OVWSAWCHVVCXOO-WSLMLHKMSA-N 0 0 603.785 6.824 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)S1 ZINC000409090862 1072278346 /nfs/dbraw/zinc/27/83/46/1072278346.db2.gz QUDVMFFHDSQIAL-FZSIALSZSA-N 0 0 579.097 6.204 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409089300 1072289913 /nfs/dbraw/zinc/28/99/13/1072289913.db2.gz ZZRCPVBLCZZEBE-XYGWBWBKSA-N 0 0 517.387 7.546 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409088456 1072298048 /nfs/dbraw/zinc/29/80/48/1072298048.db2.gz FNTZVELLVNFGMO-DIBXZPPDSA-N 0 0 553.456 7.261 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409088368 1072300149 /nfs/dbraw/zinc/30/01/49/1072300149.db2.gz IXZYBRAPVBHHEC-ZVHZXABRSA-N 0 0 566.632 5.434 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000409088033 1072302510 /nfs/dbraw/zinc/30/25/10/1072302510.db2.gz VTDKWTPCQTUUBZ-ASUJOLEISA-N 0 0 653.602 6.053 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1F ZINC000409087814 1072303330 /nfs/dbraw/zinc/30/33/30/1072303330.db2.gz HVKSTVQRXXNDRD-UQQQWYQISA-N 0 0 618.446 7.243 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087454 1072308526 /nfs/dbraw/zinc/30/85/26/1072308526.db2.gz CPNJIKPRTHHZBD-UQQQWYQISA-N 0 0 509.949 6.662 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OC(C)C ZINC000409101991 1072310092 /nfs/dbraw/zinc/31/00/92/1072310092.db2.gz ZVGMKULBDXOHIS-MFKUBSTISA-N 0 0 536.650 6.670 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409102096 1072311259 /nfs/dbraw/zinc/31/12/59/1072311259.db2.gz UUSLSEPRWNWYFD-OEAKJJBVSA-N 0 0 648.519 6.886 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000409099610 1072325471 /nfs/dbraw/zinc/32/54/71/1072325471.db2.gz RGVXTZBJMWKMCF-XDHOZWIPSA-N 0 0 503.407 6.791 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409335738 1072335769 /nfs/dbraw/zinc/33/57/69/1072335769.db2.gz ZDNIFRRHNBOBGU-XKZIYDEJSA-N 0 0 605.919 7.394 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409335111 1072342060 /nfs/dbraw/zinc/34/20/60/1072342060.db2.gz YVOXFSOOWSQTOU-ZDLGFXPLSA-N 0 0 505.955 6.005 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409335100 1072342104 /nfs/dbraw/zinc/34/21/04/1072342104.db2.gz YVDYJJDMMDWCCN-WGOQTCKBSA-N 0 0 562.510 7.596 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409335650 1072337199 /nfs/dbraw/zinc/33/71/99/1072337199.db2.gz YAXVUOJYZUZPRQ-MFOYZWKCSA-N 0 0 501.243 7.966 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409335404 1072340289 /nfs/dbraw/zinc/34/02/89/1072340289.db2.gz ZPUWSGLUMVPHCT-VEILYXNESA-N 0 0 511.668 7.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409335148 1072340436 /nfs/dbraw/zinc/34/04/36/1072340436.db2.gz YYFPFNYPEDYHCB-QQXSKIMKSA-N 0 0 594.527 8.125 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409106607 1072342949 /nfs/dbraw/zinc/34/29/49/1072342949.db2.gz OEXOPVYFDRLPIR-XQNWCSQWSA-N 0 0 638.031 5.927 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409334728 1072343493 /nfs/dbraw/zinc/34/34/93/1072343493.db2.gz VYYPIGJTKQRIJJ-CFRMEGHHSA-N 0 0 557.068 6.473 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)SC1=S ZINC000409334434 1072345382 /nfs/dbraw/zinc/34/53/82/1072345382.db2.gz XUJFOCFZZGTQAY-WSDLNYQXSA-N 0 0 539.547 5.718 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000409334360 1072347215 /nfs/dbraw/zinc/34/72/15/1072347215.db2.gz XDFLNRCHNBOYPJ-MOSHPQCFSA-N 0 0 547.439 6.258 40 10 KKCBRN CCOC(=O)Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409105491 1072348494 /nfs/dbraw/zinc/34/84/94/1072348494.db2.gz HYZQJFJVKCABJX-MFKUBSTISA-N 0 0 559.644 6.002 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105610 1072349462 /nfs/dbraw/zinc/34/94/62/1072349462.db2.gz JWZKFUIWJJCYFQ-DWLKXISJSA-N 0 0 618.803 5.981 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409334097 1072349751 /nfs/dbraw/zinc/34/97/51/1072349751.db2.gz TXHWELPSQBLLDE-KEBDBYFISA-N 0 0 503.527 6.427 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409333676 1072351200 /nfs/dbraw/zinc/35/12/00/1072351200.db2.gz VDEBBZRCPWZQMF-MTJSOVHGSA-N 0 0 561.866 6.996 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)ccc1Cl ZINC000409333789 1072351642 /nfs/dbraw/zinc/35/16/42/1072351642.db2.gz WAZLHBYEMCKIES-GRSHGNNSSA-N 0 0 524.834 7.099 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409333794 1072352133 /nfs/dbraw/zinc/35/21/33/1072352133.db2.gz WDFBGWDTFZYLDY-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN CN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409333653 1072352887 /nfs/dbraw/zinc/35/28/87/1072352887.db2.gz VAGMKNMHPYPUEI-CHHVJCJISA-N 0 0 519.320 5.999 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104612 1072353373 /nfs/dbraw/zinc/35/33/73/1072353373.db2.gz GAISPSOBUGFLAG-GRPHBVMCSA-N 0 0 594.781 5.174 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409332912 1072358057 /nfs/dbraw/zinc/35/80/57/1072358057.db2.gz SGOTTWNKRUYYJD-YDZHTSKRSA-N 0 0 516.471 7.377 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)c1 ZINC000409332935 1072358154 /nfs/dbraw/zinc/35/81/54/1072358154.db2.gz SWSGNLNPSYYFPC-NHDPSOOVSA-N 0 0 595.418 7.883 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409332713 1072358929 /nfs/dbraw/zinc/35/89/29/1072358929.db2.gz RFAHGPVJGDZKIX-QRVIBDJDSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409103534 1072360423 /nfs/dbraw/zinc/36/04/23/1072360423.db2.gz CEXLGEKECBTWRA-UXHLAJHPSA-N 0 0 598.721 7.770 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409332503 1072361534 /nfs/dbraw/zinc/36/15/34/1072361534.db2.gz PONFBDHJGISAAO-BKUYFWCQSA-N 0 0 552.943 7.224 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000409103046 1072362224 /nfs/dbraw/zinc/36/22/24/1072362224.db2.gz CYHDSRAUFSUKQI-WPWMEQJKSA-N 0 0 525.630 6.321 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409332190 1072364315 /nfs/dbraw/zinc/36/43/15/1072364315.db2.gz PUTRVSLLPVUQLR-XYGWBWBKSA-N 0 0 502.661 6.229 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409332202 1072364712 /nfs/dbraw/zinc/36/47/12/1072364712.db2.gz QJQHUGDNDBMKBT-LPYMAVHISA-N 0 0 619.946 6.245 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409331774 1072365976 /nfs/dbraw/zinc/36/59/76/1072365976.db2.gz PSPIYSVKMNKEHU-YVNNLAQVSA-N 0 0 634.917 6.443 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409331185 1072372869 /nfs/dbraw/zinc/37/28/69/1072372869.db2.gz MLYNDTWVIOUPKP-GATIEOLUSA-N 0 0 612.431 9.131 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)cc1 ZINC000409331807 1072366593 /nfs/dbraw/zinc/36/65/93/1072366593.db2.gz OAMVMGUKRITWDU-XKZIYDEJSA-N 0 0 502.444 6.987 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409331887 1072366955 /nfs/dbraw/zinc/36/69/55/1072366955.db2.gz PGCXKAUKDVYGCN-UDWIEESQSA-N 0 0 591.448 5.411 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409331638 1072367057 /nfs/dbraw/zinc/36/70/57/1072367057.db2.gz OBIADNZWLGULNT-FSJBWODESA-N 0 0 641.461 8.861 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409331526 1072368421 /nfs/dbraw/zinc/36/84/21/1072368421.db2.gz OLAZARSBTXNHEH-BHGWPJFGSA-N 0 0 531.590 5.554 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409331507 1072368434 /nfs/dbraw/zinc/36/84/34/1072368434.db2.gz OJMLGARLWGWKAV-JVWAILMASA-N 0 0 537.641 6.978 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3Cl)SC2=S)cc1Cl ZINC000409330994 1072373277 /nfs/dbraw/zinc/37/32/77/1072373277.db2.gz NWACWTCTPYCEGC-LSHDLFTRSA-N 0 0 566.915 7.649 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409331612 1072369168 /nfs/dbraw/zinc/36/91/68/1072369168.db2.gz NXWCCLLRMXMPLH-XKZIYDEJSA-N 0 0 652.919 7.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409330959 1072373402 /nfs/dbraw/zinc/37/34/02/1072373402.db2.gz NQTLFYVHVDGRKG-UUYOSTAYSA-N 0 0 534.461 7.516 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1C ZINC000409330991 1072373415 /nfs/dbraw/zinc/37/34/15/1072373415.db2.gz MWIKYZNCUBXMGA-MFKUBSTISA-N 0 0 596.572 6.555 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409331436 1072369989 /nfs/dbraw/zinc/36/99/89/1072369989.db2.gz MWWJRULCPBKMBL-MTJSOVHGSA-N 0 0 516.522 7.120 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)c1 ZINC000409331196 1072370730 /nfs/dbraw/zinc/37/07/30/1072370730.db2.gz MPDGFSGVRFYARF-WSDLNYQXSA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409331235 1072370805 /nfs/dbraw/zinc/37/08/05/1072370805.db2.gz MWRAYXNQGHDLDU-JVWAILMASA-N 0 0 546.714 6.859 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409331287 1072371224 /nfs/dbraw/zinc/37/12/24/1072371224.db2.gz NTFJFCXKJIHKCD-UUYOSTAYSA-N 0 0 584.468 8.396 40 10 KKCBRN C[C@H]1Cc2ccccc2N1C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000409330892 1072374990 /nfs/dbraw/zinc/37/49/90/1072374990.db2.gz AKIYDIVGCJCVOS-QFIPXVFZSA-N 0 0 590.708 8.457 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409330894 1072375054 /nfs/dbraw/zinc/37/50/54/1072375054.db2.gz NKVDCABUNFRMOY-KBKYJPHKSA-N 0 0 519.688 6.688 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409330674 1072375374 /nfs/dbraw/zinc/37/53/74/1072375374.db2.gz LVOKSHYFMUKRIQ-BKUYFWCQSA-N 0 0 545.469 6.127 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409329978 1072381508 /nfs/dbraw/zinc/38/15/08/1072381508.db2.gz INPLHGRVCQLIJZ-FYJGNVAPSA-N 0 0 591.346 7.205 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409330383 1072377712 /nfs/dbraw/zinc/37/77/12/1072377712.db2.gz LQPWNLDOJTXDFF-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409330232 1072378588 /nfs/dbraw/zinc/37/85/88/1072378588.db2.gz KGDRWPTUSGLXIT-CIAFOILYSA-N 0 0 575.546 5.961 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409330267 1072378913 /nfs/dbraw/zinc/37/89/13/1072378913.db2.gz KLWJPXRCQDLGMI-YBFXNURJSA-N 0 0 536.469 5.422 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409330094 1072380045 /nfs/dbraw/zinc/38/00/45/1072380045.db2.gz JOQWXOUPLOHURR-MXAYSNPKSA-N 0 0 577.986 8.478 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409329936 1072380936 /nfs/dbraw/zinc/38/09/36/1072380936.db2.gz IEXVYCRTEDKKFL-WSDLNYQXSA-N 0 0 556.021 5.382 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)cc1Cl ZINC000409329944 1072381074 /nfs/dbraw/zinc/38/10/74/1072381074.db2.gz IZKSXBXBLXJFHO-UFFVCSGVSA-N 0 0 543.966 6.363 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409329868 1072383125 /nfs/dbraw/zinc/38/31/25/1072383125.db2.gz IAJFMXYIODPULM-AUEPDCJTSA-N 0 0 567.557 5.829 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329625 1072383485 /nfs/dbraw/zinc/38/34/85/1072383485.db2.gz GMNPXNGHXLZQOY-AUEPDCJTSA-N 0 0 564.346 8.709 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000409329443 1072383874 /nfs/dbraw/zinc/38/38/74/1072383874.db2.gz FWPXJCHMFHKBNK-ZDLGFXPLSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409329537 1072384916 /nfs/dbraw/zinc/38/49/16/1072384916.db2.gz FLMBPHZQHDKZKQ-OEAKJJBVSA-N 0 0 543.041 6.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409329329 1072385313 /nfs/dbraw/zinc/38/53/13/1072385313.db2.gz DUBNLEXLQAMVPF-OYKKKHCWSA-N 0 0 530.498 7.685 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)SC2=S)cc1 ZINC000409329172 1072386163 /nfs/dbraw/zinc/38/61/63/1072386163.db2.gz DHLOJCOONXRURD-VUTHCHCSSA-N 0 0 541.694 7.622 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409329176 1072386250 /nfs/dbraw/zinc/38/62/50/1072386250.db2.gz DLMYFYQLDYUJEW-RGVLZGJSSA-N 0 0 556.965 5.495 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC ZINC000409329219 1072386654 /nfs/dbraw/zinc/38/66/54/1072386654.db2.gz CIAIDBBCWFYCAL-ZDLGFXPLSA-N 0 0 591.774 7.458 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409329224 1072386713 /nfs/dbraw/zinc/38/67/13/1072386713.db2.gz CKXHCVMGPULNDW-MFKUBSTISA-N 0 0 559.540 7.443 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409329103 1072387935 /nfs/dbraw/zinc/38/79/35/1072387935.db2.gz CRGGHRIROLXXDJ-LPYMAVHISA-N 0 0 530.440 6.582 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OC ZINC000409329113 1072387974 /nfs/dbraw/zinc/38/79/74/1072387974.db2.gz CSPWNQYVZLSWPG-PXNMLYILSA-N 0 0 566.269 6.411 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329108 1072388040 /nfs/dbraw/zinc/38/80/40/1072388040.db2.gz CUMREBZTHWAGOT-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409329092 1072388091 /nfs/dbraw/zinc/38/80/91/1072388091.db2.gz CQLKNLBHGFFEFX-CAOOACKPSA-N 0 0 503.270 6.949 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S ZINC000409328722 1072389965 /nfs/dbraw/zinc/38/99/65/1072389965.db2.gz ADFVIHMNZZHDPY-HYARGMPZSA-N 0 0 512.450 6.443 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409328838 1072390437 /nfs/dbraw/zinc/39/04/37/1072390437.db2.gz BFXRPPZFMFQHGE-XKZIYDEJSA-N 0 0 561.468 7.285 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409328623 1072391186 /nfs/dbraw/zinc/39/11/86/1072391186.db2.gz ZBKAIPKJSUGNTH-FMCGGJTJSA-N 0 0 574.352 8.165 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409328705 1072391677 /nfs/dbraw/zinc/39/16/77/1072391677.db2.gz AFCWXVNXHVAPDR-KSEXSDGBSA-N 0 0 523.998 6.796 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409328506 1072392808 /nfs/dbraw/zinc/39/28/08/1072392808.db2.gz WQQBGNJGMCUAIU-RGVLZGJSSA-N 0 0 658.206 8.098 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409328298 1072393289 /nfs/dbraw/zinc/39/32/89/1072393289.db2.gz ROLOWBIEDWAQIB-GRSHGNNSSA-N 0 0 507.376 6.576 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328313 1072393570 /nfs/dbraw/zinc/39/35/70/1072393570.db2.gz RVQHAHLFDIYNOV-XKZIYDEJSA-N 0 0 663.471 6.491 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409328380 1072393597 /nfs/dbraw/zinc/39/35/97/1072393597.db2.gz UABIRMCOJQNRCQ-NHDPSOOVSA-N 0 0 595.418 7.883 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409328373 1072393665 /nfs/dbraw/zinc/39/36/65/1072393665.db2.gz TWAAJWRPQJBSFF-QFEZKATASA-N 0 0 552.504 8.140 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328340 1072393716 /nfs/dbraw/zinc/39/37/16/1072393716.db2.gz SLNXNSKHGRASQH-LPYMAVHISA-N 0 0 639.818 8.249 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409328397 1072394207 /nfs/dbraw/zinc/39/42/07/1072394207.db2.gz UJHKSWXDFCYNSX-AFPJDJCSSA-N 0 0 711.257 9.288 40 10 KKCBRN CN(C)c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1Br ZINC000409110828 1072394860 /nfs/dbraw/zinc/39/48/60/1072394860.db2.gz HASNUCZXEZGXDJ-GDLZYMKVSA-N 0 0 571.475 6.785 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409327985 1072395613 /nfs/dbraw/zinc/39/56/13/1072395613.db2.gz ORODDAZIKQSTPE-SSDVNMTOSA-N 0 0 674.263 8.902 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409328031 1072395678 /nfs/dbraw/zinc/39/56/78/1072395678.db2.gz PGLVDQCRHYBRJT-RGVLZGJSSA-N 0 0 597.479 6.084 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409327725 1072398336 /nfs/dbraw/zinc/39/83/36/1072398336.db2.gz LWGSEKOVNICLJG-UUYOSTAYSA-N 0 0 589.464 6.880 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409327610 1072399677 /nfs/dbraw/zinc/39/96/77/1072399677.db2.gz LNSXOTDUUGFTJM-LPYMAVHISA-N 0 0 577.440 6.424 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1 ZINC000409109014 1072402016 /nfs/dbraw/zinc/40/20/16/1072402016.db2.gz ZNZCFPPMUODWCZ-ZMOGYAJESA-N 0 0 550.593 5.085 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409327370 1072402371 /nfs/dbraw/zinc/40/23/71/1072402371.db2.gz JGSVWXHDCBLGEO-BUVRLJJBSA-N 0 0 538.622 5.358 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108733 1072404659 /nfs/dbraw/zinc/40/46/59/1072404659.db2.gz XQBGDPSASOLUQC-NNAGEYCMSA-N 0 0 633.612 5.282 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409346972 1072410084 /nfs/dbraw/zinc/41/00/84/1072410084.db2.gz LVDPOFKRQGZLQS-WSDLNYQXSA-N 0 0 546.548 7.129 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000409346853 1072411808 /nfs/dbraw/zinc/41/18/08/1072411808.db2.gz OKQKFBUAHBZHLE-XYGWBWBKSA-N 0 0 609.510 7.438 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000409346684 1072412969 /nfs/dbraw/zinc/41/29/69/1072412969.db2.gz ODRNKZUVYUKYKD-FSJBWODESA-N 0 0 504.589 5.147 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000409346946 1072412988 /nfs/dbraw/zinc/41/29/88/1072412988.db2.gz PBSGUTFVWIAWMJ-CEUNXORHSA-N 0 0 503.648 7.978 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346588 1072414438 /nfs/dbraw/zinc/41/44/38/1072414438.db2.gz NRKYHKPZGPSEGP-JJFYIABZSA-N 0 0 575.437 6.490 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346558 1072414477 /nfs/dbraw/zinc/41/44/77/1072414477.db2.gz NOBAUHOCMCXNDB-FOKLQQMPSA-N 0 0 662.483 6.312 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409123191 1072416854 /nfs/dbraw/zinc/41/68/54/1072416854.db2.gz AAPFZQIQUHUONS-HMAPJEAMSA-N 0 0 555.425 5.966 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409122748 1072419535 /nfs/dbraw/zinc/41/95/35/1072419535.db2.gz BJYZZMHMBZLSNT-MYKKPKGFSA-N 0 0 612.596 6.192 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409346063 1072419727 /nfs/dbraw/zinc/41/97/27/1072419727.db2.gz MXXQCTQNJPQTNA-LPYMAVHISA-N 0 0 593.941 7.171 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409345835 1072420128 /nfs/dbraw/zinc/42/01/28/1072420128.db2.gz KBHXWWBZMCHYAS-FSJBWODESA-N 0 0 592.642 7.932 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409345817 1072420158 /nfs/dbraw/zinc/42/01/58/1072420158.db2.gz MFXWCWHUZCRONN-PKAZHMFMSA-N 0 0 637.564 8.136 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409345680 1072421714 /nfs/dbraw/zinc/42/17/14/1072421714.db2.gz ITYHYUHXYMZFHP-VEILYXNESA-N 0 0 511.668 7.532 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)c(OC)c2)SC1=S ZINC000409345610 1072423338 /nfs/dbraw/zinc/42/33/38/1072423338.db2.gz IHGGOMHXKASOIM-MTJSOVHGSA-N 0 0 549.512 5.703 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409345378 1072423696 /nfs/dbraw/zinc/42/36/96/1072423696.db2.gz LLYNSINBCIHPCA-GIJQJNRQSA-N 0 0 556.246 7.330 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409345216 1072425250 /nfs/dbraw/zinc/42/52/50/1072425250.db2.gz KHHXOSBLTCKVQP-HZHRSRAPSA-N 0 0 599.528 5.982 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)SC2=S)cc1 ZINC000409345307 1072425866 /nfs/dbraw/zinc/42/58/66/1072425866.db2.gz KZSLWOKJHPLMEG-MYYYXRDXSA-N 0 0 513.644 5.553 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409345332 1072426376 /nfs/dbraw/zinc/42/63/76/1072426376.db2.gz LNGRMNWQAGPVMJ-BHGWPJFGSA-N 0 0 580.942 8.039 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409345080 1072426944 /nfs/dbraw/zinc/42/69/44/1072426944.db2.gz JUHJKPPJMOVVRZ-LFVJCYFKSA-N 0 0 504.633 5.817 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OCC)c(OC)c3)SC2=S)cc1 ZINC000409344637 1072430272 /nfs/dbraw/zinc/43/02/72/1072430272.db2.gz HSTUVAZJSXCEQA-YZSQISJMSA-N 0 0 564.685 5.916 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409344563 1072431711 /nfs/dbraw/zinc/43/17/11/1072431711.db2.gz HCHITKDCSDNTFW-SRZZPIQSSA-N 0 0 561.866 6.996 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409120350 1072431858 /nfs/dbraw/zinc/43/18/58/1072431858.db2.gz VFHRQLBLRCIASQ-DDBFQISPSA-N 0 0 602.204 5.231 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409344224 1072433416 /nfs/dbraw/zinc/43/34/16/1072433416.db2.gz IBXQPEKSQDYOOI-XKZIYDEJSA-N 0 0 529.596 6.228 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409344267 1072433837 /nfs/dbraw/zinc/43/38/37/1072433837.db2.gz IHAYNELIUDIDRD-UFFVCSGVSA-N 0 0 660.236 8.512 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409344323 1072434548 /nfs/dbraw/zinc/43/45/48/1072434548.db2.gz ITCPBLMODWEEPA-DICXZTSXSA-N 0 0 529.061 8.041 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409343945 1072436169 /nfs/dbraw/zinc/43/61/69/1072436169.db2.gz DXMBXGCCNQNLBZ-QRVIBDJDSA-N 0 0 553.574 6.108 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)c(OC)c3)SC2=S)cc1 ZINC000409343836 1072438002 /nfs/dbraw/zinc/43/80/02/1072438002.db2.gz DPODWPRVCBFQCL-QFEZKATASA-N 0 0 613.555 6.506 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409343663 1072439118 /nfs/dbraw/zinc/43/91/18/1072439118.db2.gz IAPCNOISACOWLU-MTJSOVHGSA-N 0 0 548.430 6.721 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409343671 1072439153 /nfs/dbraw/zinc/43/91/53/1072439153.db2.gz FRZIKJQGZGTUTB-QRVIBDJDSA-N 0 0 576.574 7.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409343527 1072440116 /nfs/dbraw/zinc/44/01/16/1072440116.db2.gz HYDNJSASHHHLPG-UCQKPKSFSA-N 0 0 617.518 6.121 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409343444 1072441771 /nfs/dbraw/zinc/44/17/71/1072441771.db2.gz HMQXWBUKMIQBNE-ZMOGYAJESA-N 0 0 530.498 7.685 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409343397 1072441817 /nfs/dbraw/zinc/44/18/17/1072441817.db2.gz HFKJFKFGLSGKQY-STZFKDTASA-N 0 0 518.498 6.571 40 10 KKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409342984 1072445382 /nfs/dbraw/zinc/44/53/82/1072445382.db2.gz DCIPCNAHGFYBBB-DJKKODMXSA-N 0 0 521.502 5.297 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409342956 1072445391 /nfs/dbraw/zinc/44/53/91/1072445391.db2.gz GCJGRKODNKDGNC-CFRMEGHHSA-N 0 0 601.519 6.637 40 10 KKCBRN O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409343002 1072446097 /nfs/dbraw/zinc/44/60/97/1072446097.db2.gz GFQYHZYRROMJLN-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409342782 1072446563 /nfs/dbraw/zinc/44/65/63/1072446563.db2.gz CLRIVPJWUILRKH-PGGKNCGUSA-N 0 0 539.465 7.131 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409342828 1072447067 /nfs/dbraw/zinc/44/70/67/1072447067.db2.gz CRSCSXYADNKZSQ-ODLFYWEKSA-N 0 0 517.991 5.875 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409342298 1072449127 /nfs/dbraw/zinc/44/91/27/1072449127.db2.gz BHXNZFAYNNVZLU-CJLVFECKSA-N 0 0 511.024 5.344 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1 ZINC000409342292 1072449134 /nfs/dbraw/zinc/44/91/34/1072449134.db2.gz DDFJARWLAIYJSV-MTJSOVHGSA-N 0 0 507.999 6.929 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409342363 1072449762 /nfs/dbraw/zinc/44/97/62/1072449762.db2.gz BUVSLYFAMVIBIU-AWQFTUOYSA-N 0 0 709.106 9.266 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409342184 1072450382 /nfs/dbraw/zinc/45/03/82/1072450382.db2.gz AKPWXGXXMMPNQR-DHRITJCHSA-N 0 0 532.643 5.962 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342048 1072452026 /nfs/dbraw/zinc/45/20/26/1072452026.db2.gz BFIZMGAPUBHWPP-YDZHTSKRSA-N 0 0 664.568 7.305 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000409342113 1072452540 /nfs/dbraw/zinc/45/25/40/1072452540.db2.gz BZZRBWQCZJKWIE-UNOMPAQXSA-N 0 0 526.905 6.691 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409341864 1072452547 /nfs/dbraw/zinc/45/25/47/1072452547.db2.gz FZWMWCXGQIDRHZ-DHRITJCHSA-N 0 0 595.624 6.742 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409342124 1072452688 /nfs/dbraw/zinc/45/26/88/1072452688.db2.gz AAZHHRJRYCGATL-XKZIYDEJSA-N 0 0 544.467 6.890 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc21 ZINC000409341891 1072453503 /nfs/dbraw/zinc/45/35/03/1072453503.db2.gz CFKZHVZFZUPYRA-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409341970 1072454409 /nfs/dbraw/zinc/45/44/09/1072454409.db2.gz AVCFSCGSSAWDKA-APSNUPSMSA-N 0 0 533.252 5.714 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409341736 1072454861 /nfs/dbraw/zinc/45/48/61/1072454861.db2.gz BRXPXLMMHVYFMS-OEAKJJBVSA-N 0 0 573.509 6.648 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409126149 1072455378 /nfs/dbraw/zinc/45/53/78/1072455378.db2.gz DTDQJNUHHHAHGM-HMAPJEAMSA-N 0 0 510.974 5.857 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409341305 1072458990 /nfs/dbraw/zinc/45/89/90/1072458990.db2.gz BBJDXUJJXRATCQ-CCVNUDIWSA-N 0 0 563.660 6.568 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1 ZINC000409341319 1072459112 /nfs/dbraw/zinc/45/91/12/1072459112.db2.gz BFDTYWPMAQQAJG-KEBDBYFISA-N 0 0 660.287 8.337 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409341382 1072459817 /nfs/dbraw/zinc/45/98/17/1072459817.db2.gz BOELTJJDBKVGOH-CXUHLZMHSA-N 0 0 513.380 5.249 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c3cc(Br)ccc32)cc1C ZINC000409125386 1072460238 /nfs/dbraw/zinc/46/02/38/1072460238.db2.gz NFTHTXXMYHZNAO-MSXFZWOLSA-N 0 0 543.552 6.957 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409125468 1072460797 /nfs/dbraw/zinc/46/07/97/1072460797.db2.gz ALFVGTZBLLUGIU-JLPGSUDCSA-N 0 0 509.027 6.945 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409341238 1072461004 /nfs/dbraw/zinc/46/10/04/1072461004.db2.gz AIABABKJSZXLHN-YDZHTSKRSA-N 0 0 514.093 7.055 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1Cl ZINC000409340597 1072465348 /nfs/dbraw/zinc/46/53/48/1072465348.db2.gz ZXLXHBWNKUPOJH-IUXPMGMMSA-N 0 0 532.854 6.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409340586 1072465359 /nfs/dbraw/zinc/46/53/59/1072465359.db2.gz ZRWTVQPPHLNSEN-UCQKPKSFSA-N 0 0 510.568 6.117 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409340408 1072465792 /nfs/dbraw/zinc/46/57/92/1072465792.db2.gz WPBLWQFRFGEZLV-JMIUGGIZSA-N 0 0 636.258 8.631 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409340390 1072465799 /nfs/dbraw/zinc/46/57/99/1072465799.db2.gz WIIGKCVAFVZQDM-NHDPSOOVSA-N 0 0 575.437 6.490 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409124490 1072465932 /nfs/dbraw/zinc/46/59/32/1072465932.db2.gz ANLLBENQRRHOPA-QFEZKATASA-N 0 0 567.961 7.549 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409340412 1072466321 /nfs/dbraw/zinc/46/63/21/1072466321.db2.gz WQSNEZLFNWVPQH-JVWAILMASA-N 0 0 669.631 8.550 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409340503 1072466818 /nfs/dbraw/zinc/46/68/18/1072466818.db2.gz YFNQBUAHOFMWBV-AWQFTUOYSA-N 0 0 527.420 7.826 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409340506 1072466979 /nfs/dbraw/zinc/46/69/79/1072466979.db2.gz YGPKOXXGPLHMHB-MYYYXRDXSA-N 0 0 641.406 8.358 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409340481 1072466985 /nfs/dbraw/zinc/46/69/85/1072466985.db2.gz XWIGLGPUSWCFPT-OEAKJJBVSA-N 0 0 620.509 6.490 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409340330 1072468071 /nfs/dbraw/zinc/46/80/71/1072468071.db2.gz VHJWAILQQNKUCG-FSJBWODESA-N 0 0 603.947 6.843 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409340182 1072469162 /nfs/dbraw/zinc/46/91/62/1072469162.db2.gz RTMHUSWQBOTYPA-JJFYIABZSA-N 0 0 676.812 8.635 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409340229 1072469674 /nfs/dbraw/zinc/46/96/74/1072469674.db2.gz SNPUZSOLKXBAJN-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409340050 1072470731 /nfs/dbraw/zinc/47/07/31/1072470731.db2.gz PNZUZKFHHSJJFY-RQZCQDPDSA-N 0 0 547.721 7.060 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409339832 1072471281 /nfs/dbraw/zinc/47/12/81/1072471281.db2.gz ZFYROQKENPRTNF-DHRITJCHSA-N 0 0 544.525 7.994 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409339815 1072471309 /nfs/dbraw/zinc/47/13/09/1072471309.db2.gz YXFFNIDYWFYKFD-OPVMPGTRSA-N 0 0 523.010 6.617 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409339811 1072471318 /nfs/dbraw/zinc/47/13/18/1072471318.db2.gz YVIJOLRUANOQGL-UCQKPKSFSA-N 0 0 585.501 5.592 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339898 1072471805 /nfs/dbraw/zinc/47/18/05/1072471805.db2.gz ZOSYOWZBPGCIKR-OYKKKHCWSA-N 0 0 549.630 5.644 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000409339930 1072472375 /nfs/dbraw/zinc/47/23/75/1072472375.db2.gz ZZHPJQQCXOJOLD-YBFXNURJSA-N 0 0 515.956 5.063 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409339768 1072473530 /nfs/dbraw/zinc/47/35/30/1072473530.db2.gz YBGLUDCFSJWYNC-CIAFOILYSA-N 0 0 609.336 7.344 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409339751 1072473665 /nfs/dbraw/zinc/47/36/65/1072473665.db2.gz XRTAYJBYNMOIAG-NHDPSOOVSA-N 0 0 540.415 7.997 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409339548 1072474122 /nfs/dbraw/zinc/47/41/22/1072474122.db2.gz WAKFSEUVKSSYPW-LPYMAVHISA-N 0 0 589.920 6.236 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409339556 1072474128 /nfs/dbraw/zinc/47/41/28/1072474128.db2.gz WDBLWNVTSRGXGU-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409339570 1072474706 /nfs/dbraw/zinc/47/47/06/1072474706.db2.gz WJARBCXPYVCXNL-OEAKJJBVSA-N 0 0 568.076 5.221 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409339389 1072475270 /nfs/dbraw/zinc/47/52/70/1072475270.db2.gz IAWPXWOSCNYBFD-WSDLNYQXSA-N 0 0 592.989 7.818 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339431 1072475874 /nfs/dbraw/zinc/47/58/74/1072475874.db2.gz VNXUSOOMIQMPOO-BUVRLJJBSA-N 0 0 565.629 5.127 40 10 KKCBRN COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409136709 1072477404 /nfs/dbraw/zinc/47/74/04/1072477404.db2.gz UPJOJCMIOFOKCI-UCQKPKSFSA-N 0 0 572.550 5.000 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409339337 1072477586 /nfs/dbraw/zinc/47/75/86/1072477586.db2.gz HNHXAKFAPWIPDC-CFRMEGHHSA-N 0 0 579.078 5.927 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409339360 1072478064 /nfs/dbraw/zinc/47/80/64/1072478064.db2.gz UNFVEEGFXOWDKW-MSXFZWOLSA-N 0 0 651.526 7.517 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409339361 1072478167 /nfs/dbraw/zinc/47/81/67/1072478167.db2.gz HVTIDRGPUKWGFU-MTJSOVHGSA-N 0 0 609.792 8.158 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409339365 1072478189 /nfs/dbraw/zinc/47/81/89/1072478189.db2.gz HWBGTCOFIVBMJS-WQRHYEAKSA-N 0 0 557.500 6.216 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O ZINC000409339164 1072478593 /nfs/dbraw/zinc/47/85/93/1072478593.db2.gz SLMRHGMAZQJWDK-CHHVJCJISA-N 0 0 501.221 5.332 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409339131 1072478642 /nfs/dbraw/zinc/47/86/42/1072478642.db2.gz FDPFCECAHDWFPY-FMCGGJTJSA-N 0 0 603.947 6.843 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339187 1072479101 /nfs/dbraw/zinc/47/91/01/1072479101.db2.gz SPSNSDQYJGSBIR-LPYMAVHISA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409339176 1072479133 /nfs/dbraw/zinc/47/91/33/1072479133.db2.gz SNIJUQOEEOMPQW-ZVHZXABRSA-N 0 0 638.436 8.205 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338953 1072479142 /nfs/dbraw/zinc/47/91/42/1072479142.db2.gz CLAHPCMRQPZFNU-YVLHZVERSA-N 0 0 556.403 5.008 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409136211 1072479785 /nfs/dbraw/zinc/47/97/85/1072479785.db2.gz XTUCUYOVGBNKPD-YVNNLAQVSA-N 0 0 543.895 7.100 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409339008 1072479782 /nfs/dbraw/zinc/47/97/82/1072479782.db2.gz DBPMFYZXZHWIPK-SSDVNMTOSA-N 0 0 565.341 8.049 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339058 1072480277 /nfs/dbraw/zinc/48/02/77/1072480277.db2.gz RKEJWXSCOKQTHI-AFPJDJCSSA-N 0 0 626.337 7.658 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)c1 ZINC000409339046 1072480285 /nfs/dbraw/zinc/48/02/85/1072480285.db2.gz RGZKROBDCWUGSX-XKZIYDEJSA-N 0 0 528.518 7.156 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409338808 1072480867 /nfs/dbraw/zinc/48/08/67/1072480867.db2.gz BLIMDLMHBGRNKI-HZHRSRAPSA-N 0 0 506.605 5.127 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409338878 1072481297 /nfs/dbraw/zinc/48/12/97/1072481297.db2.gz QCMQRGIHSZPHBM-MYKKPKGFSA-N 0 0 515.572 5.732 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409338638 1072481828 /nfs/dbraw/zinc/48/18/28/1072481828.db2.gz NJNHYNUMNMBHBK-ZVHZXABRSA-N 0 0 536.700 6.149 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCC ZINC000409338913 1072481944 /nfs/dbraw/zinc/48/19/44/1072481944.db2.gz CAOXDGZLDWCIBV-WOJGMQOQSA-N 0 0 557.500 6.216 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409338675 1072482553 /nfs/dbraw/zinc/48/25/53/1072482553.db2.gz OELQKCIEXOPGJA-PKAZHMFMSA-N 0 0 515.631 7.362 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409338760 1072483040 /nfs/dbraw/zinc/48/30/40/1072483040.db2.gz AJIVDKXOBDWXKP-BUVRLJJBSA-N 0 0 651.975 7.727 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409338552 1072484107 /nfs/dbraw/zinc/48/41/07/1072484107.db2.gz LWPZLFWOSLJHRN-LPYMAVHISA-N 0 0 562.457 7.111 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409338467 1072486095 /nfs/dbraw/zinc/48/60/95/1072486095.db2.gz KMZWCEPGSOTTLI-FBHDLOMBSA-N 0 0 596.311 7.649 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409135146 1072486775 /nfs/dbraw/zinc/48/67/75/1072486775.db2.gz UXCMLVPTZJGJCJ-BKUYFWCQSA-N 0 0 523.954 5.236 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409338256 1072487421 /nfs/dbraw/zinc/48/74/21/1072487421.db2.gz GQVUWXQPQFCGEJ-JJFYIABZSA-N 0 0 536.889 7.640 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409338281 1072487794 /nfs/dbraw/zinc/48/77/94/1072487794.db2.gz HEOZRCGRBDHVDI-MFKUBSTISA-N 0 0 521.585 7.843 40 10 KKCBRN O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338114 1072488231 /nfs/dbraw/zinc/48/82/31/1072488231.db2.gz DFZKAFGBMQBFAE-ZSOIEALJSA-N 0 0 518.195 5.165 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409337957 1072489366 /nfs/dbraw/zinc/48/93/66/1072489366.db2.gz AGPRATHGJLPXSR-LSHDLFTRSA-N 0 0 611.506 6.392 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1O ZINC000409337966 1072490024 /nfs/dbraw/zinc/49/00/24/1072490024.db2.gz AJCOPHBCYCHYIO-MKMNVTDBSA-N 0 0 582.666 5.827 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)SC2=S)cc1 ZINC000409134734 1072490045 /nfs/dbraw/zinc/49/00/45/1072490045.db2.gz PLFALMAEZXGYEW-MGKUZBKYSA-N 0 0 519.692 5.452 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409338042 1072490391 /nfs/dbraw/zinc/49/03/91/1072490391.db2.gz BYBXREFOTSQKDO-UUYOSTAYSA-N 0 0 642.367 7.982 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000409337813 1072491205 /nfs/dbraw/zinc/49/12/05/1072491205.db2.gz WOCNKBCLOWXAJG-IGQZGGFDSA-N 0 0 517.655 5.123 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409134628 1072491620 /nfs/dbraw/zinc/49/16/20/1072491620.db2.gz WUFGDHCWQFOCBF-MYKKPKGFSA-N 0 0 596.528 5.723 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409134406 1072492261 /nfs/dbraw/zinc/49/22/61/1072492261.db2.gz OMTBPNLGRDIEIB-QFEZKATASA-N 0 0 537.041 6.887 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409133558 1072498316 /nfs/dbraw/zinc/49/83/16/1072498316.db2.gz MGQGRFJJGUXBRL-ONUIUJJFSA-N 0 0 500.645 6.130 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409133082 1072500765 /nfs/dbraw/zinc/50/07/65/1072500765.db2.gz MKACXVIOKHRWRG-YVNNLAQVSA-N 0 0 527.440 6.586 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c21 ZINC000409132373 1072504261 /nfs/dbraw/zinc/50/42/61/1072504261.db2.gz XNWDOAHITYOSMG-HRXKUDGMSA-N 0 0 525.740 5.280 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1 ZINC000409132347 1072504297 /nfs/dbraw/zinc/50/42/97/1072504297.db2.gz XKULSATWNUYYGB-QQXSKIMKSA-N 0 0 535.090 6.784 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)N(C)C2=S)cc1 ZINC000409132166 1072506304 /nfs/dbraw/zinc/50/63/04/1072506304.db2.gz NKGZRIYAYNDDSV-VEILYXNESA-N 0 0 559.692 5.996 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409130964 1072512451 /nfs/dbraw/zinc/51/24/51/1072512451.db2.gz XLKDOYQQDMHQOI-QSLAWHRQSA-N 0 0 547.927 6.486 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409354470 1072515063 /nfs/dbraw/zinc/51/50/63/1072515063.db2.gz FXKIDXLXQPEJMK-IGXVRLBYSA-N 0 0 527.654 6.244 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409129737 1072518292 /nfs/dbraw/zinc/51/82/92/1072518292.db2.gz SHKUBCRIXZRNPS-NHDPSOOVSA-N 0 0 592.298 6.744 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409353296 1072522741 /nfs/dbraw/zinc/52/27/41/1072522741.db2.gz IRACNYOZPKOGIC-AFUMVMLFSA-N 0 0 533.675 5.851 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409128591 1072524373 /nfs/dbraw/zinc/52/43/73/1072524373.db2.gz SFSHTPRVWNZBTL-ROTLSHHCSA-N 0 0 567.505 7.001 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409352990 1072524228 /nfs/dbraw/zinc/52/42/28/1072524228.db2.gz ZVTZSBRMJQYENA-ZMOGYAJESA-N 0 0 530.498 7.685 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409352868 1072525289 /nfs/dbraw/zinc/52/52/89/1072525289.db2.gz ZBHKBVPJINSKAM-LPYMAVHISA-N 0 0 638.834 7.916 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409352934 1072525597 /nfs/dbraw/zinc/52/55/97/1072525597.db2.gz ZONPLXUCORADJN-GZTJUZNOSA-N 0 0 511.406 5.413 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409352672 1072526052 /nfs/dbraw/zinc/52/60/52/1072526052.db2.gz YHTDQRUADBOFTO-SSDVNMTOSA-N 0 0 674.263 8.902 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409352675 1072526114 /nfs/dbraw/zinc/52/61/14/1072526114.db2.gz YIWCEWWGIGHBSX-JJFYIABZSA-N 0 0 687.364 7.890 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409128316 1072526077 /nfs/dbraw/zinc/52/60/77/1072526077.db2.gz SFAUIISZWORSNM-UUYOSTAYSA-N 0 0 513.526 6.872 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409352637 1072527823 /nfs/dbraw/zinc/52/78/23/1072527823.db2.gz XODHRCFCHNJZDO-CVKSISIWSA-N 0 0 626.598 6.564 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC ZINC000409352161 1072529916 /nfs/dbraw/zinc/52/99/16/1072529916.db2.gz WLTWDNAGGKOZNB-OQLLNIDSSA-N 0 0 562.248 5.477 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409352138 1072530008 /nfs/dbraw/zinc/53/00/08/1072530008.db2.gz WJTHFCYMPZUSPN-FBHDLOMBSA-N 0 0 644.237 8.812 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409352036 1072531377 /nfs/dbraw/zinc/53/13/77/1072531377.db2.gz VTVOGISQRQXCQA-KSEXSDGBSA-N 0 0 585.361 8.684 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)c(Cl)c1 ZINC000409144342 1072535012 /nfs/dbraw/zinc/53/50/12/1072535012.db2.gz JRYLXCRSUCPHMJ-VXLYETTFSA-N 0 0 578.853 6.125 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)SC2=S)cc1 ZINC000409351471 1072536326 /nfs/dbraw/zinc/53/63/26/1072536326.db2.gz UMYYKDHIEHNICN-ZMOGYAJESA-N 0 0 601.500 6.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409351269 1072537158 /nfs/dbraw/zinc/53/71/58/1072537158.db2.gz SWOCNFCFTQSEKR-FMCGGJTJSA-N 0 0 550.916 8.030 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409351329 1072537646 /nfs/dbraw/zinc/53/76/46/1072537646.db2.gz TXKVXCFLLHPLIO-QFEZKATASA-N 0 0 607.670 5.773 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(Br)c4)c3C)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409143937 1072538074 /nfs/dbraw/zinc/53/80/74/1072538074.db2.gz WYEJWHGRZBNGLS-SELCLYCASA-N 0 0 640.603 6.430 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409144005 1072538589 /nfs/dbraw/zinc/53/85/89/1072538589.db2.gz XFXZKICSNHNRNK-ZMOGYAJESA-N 0 0 607.968 7.479 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409143738 1072538665 /nfs/dbraw/zinc/53/86/65/1072538665.db2.gz HEPNAXLUWZPOOH-LGJNPRDNSA-N 0 0 591.755 5.470 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409350796 1072540338 /nfs/dbraw/zinc/54/03/38/1072540338.db2.gz ZCNAXMJMMOQAKR-HMAPJEAMSA-N 0 0 529.686 5.591 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c(OCc2ccccc2)c1 ZINC000409350807 1072540372 /nfs/dbraw/zinc/54/03/72/1072540372.db2.gz ZEQTZZMURDOIOY-YZSQISJMSA-N 0 0 504.677 6.526 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409350898 1072541417 /nfs/dbraw/zinc/54/14/17/1072541417.db2.gz STQMIPAMJPVSJF-JLPGSUDCSA-N 0 0 525.095 6.790 40 10 KKCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1 ZINC000409350469 1072542118 /nfs/dbraw/zinc/54/21/18/1072542118.db2.gz ROAOREXVHHQISB-KGENOOAVSA-N 0 0 525.449 5.872 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409350751 1072542186 /nfs/dbraw/zinc/54/21/86/1072542186.db2.gz SDCFAUZAWYWPKQ-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409143286 1072542785 /nfs/dbraw/zinc/54/27/85/1072542785.db2.gz MPKDGVLDKULEGZ-CFRMEGHHSA-N 0 0 604.433 7.996 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC ZINC000409350335 1072543054 /nfs/dbraw/zinc/54/30/54/1072543054.db2.gz RKAOFHJYLXLLGI-PDGQHHTCSA-N 0 0 541.432 5.503 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409350594 1072543148 /nfs/dbraw/zinc/54/31/48/1072543148.db2.gz YPXKAXZIUKOCEX-CIAFOILYSA-N 0 0 654.910 6.218 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409143023 1072543175 /nfs/dbraw/zinc/54/31/75/1072543175.db2.gz MPPSJAAEYQVEEJ-IWIPYMOSSA-N 0 0 518.708 5.403 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409143075 1072543195 /nfs/dbraw/zinc/54/31/95/1072543195.db2.gz ULMCEERUNPXVLL-JOCHJYFZSA-N 0 0 506.451 6.683 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409350389 1072543572 /nfs/dbraw/zinc/54/35/72/1072543572.db2.gz YEXHUFRCDUJHSP-MXAYSNPKSA-N 0 0 522.070 6.954 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409350394 1072543638 /nfs/dbraw/zinc/54/36/38/1072543638.db2.gz XSTZGSLKBNHKDO-MTJSOVHGSA-N 0 0 523.548 5.705 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409350396 1072544011 /nfs/dbraw/zinc/54/40/11/1072544011.db2.gz RIJXPCXYJMRDEU-JMIUGGIZSA-N 0 0 562.862 7.927 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409350258 1072545000 /nfs/dbraw/zinc/54/50/00/1072545000.db2.gz XJYQJQYOXMADRC-ZMOGYAJESA-N 0 0 555.077 6.089 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409350076 1072545302 /nfs/dbraw/zinc/54/53/02/1072545302.db2.gz XAXZDJSVQXYCMS-YDZHTSKRSA-N 0 0 654.016 8.050 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1Cl ZINC000409350124 1072545754 /nfs/dbraw/zinc/54/57/54/1072545754.db2.gz XLZPPRQHPMCNRF-SSDVNMTOSA-N 0 0 658.366 7.600 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409349849 1072547621 /nfs/dbraw/zinc/54/76/21/1072547621.db2.gz RCMUGNUHEQONNG-UUYOSTAYSA-N 0 0 640.364 8.048 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349614 1072548056 /nfs/dbraw/zinc/54/80/56/1072548056.db2.gz QDKKWFLWSDMTNT-UUYOSTAYSA-N 0 0 591.545 7.119 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409349449 1072548794 /nfs/dbraw/zinc/54/87/94/1072548794.db2.gz QBZFIMDORRPKIZ-YDZHTSKRSA-N 0 0 621.949 7.555 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)SC2=S)cc1 ZINC000409349709 1072548901 /nfs/dbraw/zinc/54/89/01/1072548901.db2.gz VVXBRAINMJDQIA-ZVHZXABRSA-N 0 0 590.601 7.609 40 10 KKCBRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409349479 1072549187 /nfs/dbraw/zinc/54/91/87/1072549187.db2.gz QKLUYQPCJAXDDY-CIAFOILYSA-N 0 0 518.885 7.449 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409349370 1072550249 /nfs/dbraw/zinc/55/02/49/1072550249.db2.gz QKHJGOPMTNJEDL-YCAZLQNDSA-N 0 0 548.072 6.589 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409349182 1072551114 /nfs/dbraw/zinc/55/11/14/1072551114.db2.gz UUHQSWZSAKPORL-QRVIBDJDSA-N 0 0 560.575 6.997 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349268 1072551444 /nfs/dbraw/zinc/55/14/44/1072551444.db2.gz VIJPBUWBUYDWAY-FRKPEAEDSA-N 0 0 557.253 6.883 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1ccccc1 ZINC000409349005 1072551966 /nfs/dbraw/zinc/55/19/66/1072551966.db2.gz ULHTWJBWENFOJU-HZHRSRAPSA-N 0 0 603.503 6.683 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409349035 1072552444 /nfs/dbraw/zinc/55/24/44/1072552444.db2.gz UEWCSMSOWXUBKX-MXAYSNPKSA-N 0 0 502.592 6.272 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409141443 1072553228 /nfs/dbraw/zinc/55/32/28/1072553228.db2.gz VFNBCSLYYQJZFQ-FMCGGJTJSA-N 0 0 539.907 7.511 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409141311 1072554065 /nfs/dbraw/zinc/55/40/65/1072554065.db2.gz IBEYPWCQNAADPC-AKLIYTFNSA-N 0 0 582.372 7.139 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409141342 1072554516 /nfs/dbraw/zinc/55/45/16/1072554516.db2.gz HTEVJLQBEVHFBD-NYAPKIOYSA-N 0 0 589.367 7.555 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409348579 1072555207 /nfs/dbraw/zinc/55/52/07/1072555207.db2.gz OWSRHAXFHWCOES-BKUYFWCQSA-N 0 0 525.995 5.373 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccncc1 ZINC000409348425 1072556156 /nfs/dbraw/zinc/55/61/56/1072556156.db2.gz SQFANQNYROUKBM-NHDPSOOVSA-N 0 0 503.432 6.382 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409348116 1072560075 /nfs/dbraw/zinc/56/00/75/1072560075.db2.gz RHNFELRYJRXYPN-PJQLUOCWSA-N 0 0 529.231 5.355 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409347854 1072560113 /nfs/dbraw/zinc/56/01/13/1072560113.db2.gz NCECGUNMWFMYIH-UCQKPKSFSA-N 0 0 535.603 5.335 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409140087 1072560598 /nfs/dbraw/zinc/56/05/98/1072560598.db2.gz HSMXIJQJQPBICJ-FSJBWODESA-N 0 0 577.486 6.575 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccccc3F)c21 ZINC000409140205 1072560928 /nfs/dbraw/zinc/56/09/28/1072560928.db2.gz GFMGAWSTAWZHFP-YSMPRRRNSA-N 0 0 516.663 6.801 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409139971 1072561530 /nfs/dbraw/zinc/56/15/30/1072561530.db2.gz GTUVJWSQSJPLBF-OPEKNORGSA-N 0 0 587.138 6.516 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409347799 1072561930 /nfs/dbraw/zinc/56/19/30/1072561930.db2.gz MWKCIYLJPREVEY-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347602 1072562272 /nfs/dbraw/zinc/56/22/72/1072562272.db2.gz QMPBLYGJIGSZHM-OEAKJJBVSA-N 0 0 589.964 7.162 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)c1 ZINC000409347570 1072562355 /nfs/dbraw/zinc/56/23/55/1072562355.db2.gz QJMJRLXSEZDJDI-UFFVCSGVSA-N 0 0 627.485 8.296 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409347639 1072562843 /nfs/dbraw/zinc/56/28/43/1072562843.db2.gz QPSDYNFKCVXGSC-YDZHTSKRSA-N 0 0 572.642 5.094 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409347633 1072562848 /nfs/dbraw/zinc/56/28/48/1072562848.db2.gz QPJGAOMJRVUPDS-IUXPMGMMSA-N 0 0 580.296 6.407 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409139673 1072563353 /nfs/dbraw/zinc/56/33/53/1072563353.db2.gz CVKAWZWOELJBHY-QQXSKIMKSA-N 0 0 551.564 8.003 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409139417 1072565193 /nfs/dbraw/zinc/56/51/93/1072565193.db2.gz DIMNVDXZBVWBDL-QFIPXVFZSA-N 0 0 540.896 7.337 40 10 KKCBRN Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409357672 1072567508 /nfs/dbraw/zinc/56/75/08/1072567508.db2.gz BZQINAFHBJRWIF-QVIHXGFCSA-N 0 0 557.532 7.702 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409138483 1072569301 /nfs/dbraw/zinc/56/93/01/1072569301.db2.gz COBBVWZZRKSBCQ-CFRMEGHHSA-N 0 0 523.510 7.965 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409138722 1072569364 /nfs/dbraw/zinc/56/93/64/1072569364.db2.gz HBFWEZDJJNTOMC-MYYYXRDXSA-N 0 0 537.041 6.887 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409138547 1072569844 /nfs/dbraw/zinc/56/98/44/1072569844.db2.gz DNFAGALAIURJIP-INLLTYMYSA-N 0 0 576.563 5.162 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409146942 1072577525 /nfs/dbraw/zinc/57/75/25/1072577525.db2.gz UBPFXKADWZRDLC-YVNNLAQVSA-N 0 0 592.298 6.744 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)SC1=S ZINC000409146952 1072577612 /nfs/dbraw/zinc/57/76/12/1072577612.db2.gz UPXFZCYLDJTDKO-XKZIYDEJSA-N 0 0 531.497 5.639 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146691 1072579548 /nfs/dbraw/zinc/57/95/48/1072579548.db2.gz VEWMDVMDAAXJNV-MYKKPKGFSA-N 0 0 601.563 6.616 40 10 KKCBRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409365315 1072580214 /nfs/dbraw/zinc/58/02/14/1072580214.db2.gz ZNICHFWLVVIMGO-QVIHXGFCSA-N 0 0 516.696 7.186 40 10 KKCBRN COCCN1C(=O)[C@H](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409145941 1072584098 /nfs/dbraw/zinc/58/40/98/1072584098.db2.gz SPWXARXUJQDUQU-SFHVURJKSA-N 0 0 500.867 5.099 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(c5ccccc5Cl)C4=O)c3C)cc2)cc1 ZINC000409145567 1072586891 /nfs/dbraw/zinc/58/68/91/1072586891.db2.gz IVCUNJYUAFJWQS-PKAZHMFMSA-N 0 0 531.033 7.789 40 10 KKCBRN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409362404 1072595465 /nfs/dbraw/zinc/59/54/65/1072595465.db2.gz VFXIMCSFBKDMKO-PTAFCWRLSA-N 0 0 534.045 6.106 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409155389 1072600421 /nfs/dbraw/zinc/60/04/21/1072600421.db2.gz IPLWZTHULDGZAH-OREGWCPLSA-N 0 0 534.450 6.958 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)C2=O)cc1 ZINC000409154728 1072604004 /nfs/dbraw/zinc/60/40/04/1072604004.db2.gz KJXLJJHPLGYSHH-MTDXEUNCSA-N 0 0 559.688 6.186 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409154796 1072604564 /nfs/dbraw/zinc/60/45/64/1072604564.db2.gz KVKPEVTWIQGKRU-UDCNLSRBSA-N 0 0 579.749 9.132 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409153578 1072610858 /nfs/dbraw/zinc/61/08/58/1072610858.db2.gz IJXWAJBNKGXEJG-JOWJHRDDSA-N 0 0 600.167 9.477 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409358204 1072620615 /nfs/dbraw/zinc/62/06/15/1072620615.db2.gz KPZOUIIVZVNKOD-RCFPQTNTSA-N 0 0 582.517 7.242 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409376080 1072623247 /nfs/dbraw/zinc/62/32/47/1072623247.db2.gz UCKVNOXSFJPVAL-DICXZTSXSA-N 0 0 598.552 7.029 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151327 1072623449 /nfs/dbraw/zinc/62/34/49/1072623449.db2.gz AQJHVIPERDVMLU-IECBHUPTSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409151322 1072623469 /nfs/dbraw/zinc/62/34/69/1072623469.db2.gz BCTDZRNQGOWDHJ-YTZAWJCFSA-N 0 0 593.718 8.418 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409150679 1072628363 /nfs/dbraw/zinc/62/83/63/1072628363.db2.gz DKKOZLOLWDUXAV-RWPZCVJISA-N 0 0 631.711 5.750 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409150429 1072629908 /nfs/dbraw/zinc/62/99/08/1072629908.db2.gz CBNCIEHTZMJGGI-XFAGBWLFSA-N 0 0 532.812 7.795 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)c1 ZINC000409149290 1072636640 /nfs/dbraw/zinc/63/66/40/1072636640.db2.gz AMXVSWJIPWOBQJ-OEAKJJBVSA-N 0 0 552.077 5.521 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409374028 1072639955 /nfs/dbraw/zinc/63/99/55/1072639955.db2.gz WWNRGLZYDOFXLD-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S ZINC000409374255 1072639964 /nfs/dbraw/zinc/63/99/64/1072639964.db2.gz ZAZDHYMOOIVPHE-UFFVCSGVSA-N 0 0 599.348 7.817 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S ZINC000409373713 1072641151 /nfs/dbraw/zinc/64/11/51/1072641151.db2.gz YFZVNFFGRAWCEJ-UFFVCSGVSA-N 0 0 582.893 7.303 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S ZINC000409373320 1072642326 /nfs/dbraw/zinc/64/23/26/1072642326.db2.gz UHOWLRPECRFPBA-SRZZPIQSSA-N 0 0 548.448 6.649 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409373179 1072643090 /nfs/dbraw/zinc/64/30/90/1072643090.db2.gz RYIDLUPKJOOSDR-CAOOACKPSA-N 0 0 682.345 5.486 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409373062 1072643520 /nfs/dbraw/zinc/64/35/20/1072643520.db2.gz SPBXPTKBPNXGTQ-RGVLZGJSSA-N 0 0 517.463 6.339 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409373001 1072643526 /nfs/dbraw/zinc/64/35/26/1072643526.db2.gz RXFULEMTNAVHQU-FOKLQQMPSA-N 0 0 651.981 7.001 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)cc1 ZINC000409147966 1072644339 /nfs/dbraw/zinc/64/43/39/1072644339.db2.gz NWLCSZZZILMWGF-ITYLOYPMSA-N 0 0 517.651 5.712 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409147853 1072645890 /nfs/dbraw/zinc/64/58/90/1072645890.db2.gz WEQLOUDOYMXRAM-QFEZKATASA-N 0 0 563.611 5.417 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409147675 1072646926 /nfs/dbraw/zinc/64/69/26/1072646926.db2.gz YONJQAGHRFTQQS-WSDLNYQXSA-N 0 0 682.843 7.307 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000409371437 1072649683 /nfs/dbraw/zinc/64/96/83/1072649683.db2.gz FRSGXOQSXYCMHT-OYKKKHCWSA-N 0 0 583.522 6.965 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409371306 1072650227 /nfs/dbraw/zinc/65/02/27/1072650227.db2.gz HECRAZIRIOIATQ-IUXPMGMMSA-N 0 0 635.345 5.644 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409371313 1072650302 /nfs/dbraw/zinc/65/03/02/1072650302.db2.gz HHJJMCVYBXXSFU-WQRHYEAKSA-N 0 0 536.487 6.984 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166128 1072650497 /nfs/dbraw/zinc/65/04/97/1072650497.db2.gz BOWWUAGKKHVIPJ-WOVHNISZSA-N 0 0 545.304 8.478 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165824 1072652755 /nfs/dbraw/zinc/65/27/55/1072652755.db2.gz AKTHFHAXWGRICI-RHGYRFJNSA-N 0 0 541.829 7.425 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409370717 1072652839 /nfs/dbraw/zinc/65/28/39/1072652839.db2.gz ANDLSAQJEONDQJ-AWQFTUOYSA-N 0 0 629.425 7.651 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409370575 1072654051 /nfs/dbraw/zinc/65/40/51/1072654051.db2.gz AZVHQTBPYLUBQL-WYMPLXKRSA-N 0 0 631.563 6.574 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409165234 1072655408 /nfs/dbraw/zinc/65/54/08/1072655408.db2.gz VBSMTPCZVQWVBB-SRGWNRLKSA-N 0 0 600.167 9.477 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409165249 1072655412 /nfs/dbraw/zinc/65/54/12/1072655412.db2.gz VFQTVGOYFQHFMT-UUYOSTAYSA-N 0 0 527.568 6.405 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409369681 1072657993 /nfs/dbraw/zinc/65/79/93/1072657993.db2.gz VIDAVUHZJWBPLJ-IUXPMGMMSA-N 0 0 590.894 5.535 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409369551 1072658592 /nfs/dbraw/zinc/65/85/92/1072658592.db2.gz CUDDECWTPALXSM-YVNNLAQVSA-N 0 0 669.546 5.924 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409369375 1072659110 /nfs/dbraw/zinc/65/91/10/1072659110.db2.gz LHDSPCIGNIYZKX-KEBDBYFISA-N 0 0 782.250 7.720 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000409368736 1072662587 /nfs/dbraw/zinc/66/25/87/1072662587.db2.gz KISBEVZMTDIAPQ-FMCGGJTJSA-N 0 0 553.496 6.934 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409368790 1072662629 /nfs/dbraw/zinc/66/26/29/1072662629.db2.gz NAHHHAAQSPCTFM-LSHDLFTRSA-N 0 0 673.478 8.049 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@@H](C)CC ZINC000409368657 1072664335 /nfs/dbraw/zinc/66/43/35/1072664335.db2.gz GRXQNXQBUHTXJX-HSWQHBDASA-N 0 0 540.494 6.507 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409368282 1072664971 /nfs/dbraw/zinc/66/49/71/1072664971.db2.gz RBSBIGLWYJOFIB-QGMBQPNBSA-N 0 0 614.895 6.705 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409368310 1072665542 /nfs/dbraw/zinc/66/55/42/1072665542.db2.gz RXVUGPNKMUIUMF-FSJBWODESA-N 0 0 617.536 6.266 40 10 KKCBRN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409368149 1072666089 /nfs/dbraw/zinc/66/60/89/1072666089.db2.gz UKIJPHVYSWKOQR-WSDLNYQXSA-N 0 0 544.485 6.819 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S ZINC000409368248 1072666582 /nfs/dbraw/zinc/66/65/82/1072666582.db2.gz VRMVHSOXQWXEGU-QFEZKATASA-N 0 0 580.518 7.664 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S ZINC000409367582 1072669430 /nfs/dbraw/zinc/66/94/30/1072669430.db2.gz AYJPMTRTSGPVOQ-NVMNQCDNSA-N 0 0 562.416 6.027 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409162480 1072670053 /nfs/dbraw/zinc/67/00/53/1072670053.db2.gz VQOLIMWZAJMNAQ-NVMNQCDNSA-N 0 0 541.876 5.364 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S ZINC000409367509 1072671152 /nfs/dbraw/zinc/67/11/52/1072671152.db2.gz CHILNLVWJSSRHP-VYYCAZPPSA-N 0 0 603.556 8.088 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409162071 1072673103 /nfs/dbraw/zinc/67/31/03/1072673103.db2.gz CKLPKXKIGCQBKU-WGOQTCKBSA-N 0 0 533.625 5.926 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409162078 1072673121 /nfs/dbraw/zinc/67/31/21/1072673121.db2.gz RERSKBHTZJVVPC-DJKKODMXSA-N 0 0 551.528 5.305 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409161301 1072677764 /nfs/dbraw/zinc/67/77/64/1072677764.db2.gz MVHAMPHTZWTVFC-VXLYETTFSA-N 0 0 523.850 6.761 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409160674 1072680870 /nfs/dbraw/zinc/68/08/70/1072680870.db2.gz VRNFYDWJHDKRTF-YYULODDRSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409160672 1072680961 /nfs/dbraw/zinc/68/09/61/1072680961.db2.gz VRNFYDWJHDKRTF-QJMRKGMQSA-N 0 0 606.300 8.087 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409160524 1072681937 /nfs/dbraw/zinc/68/19/37/1072681937.db2.gz QYLXSOHDNVOUEY-ASHZAFPQSA-N 0 0 603.340 8.265 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409159827 1072686075 /nfs/dbraw/zinc/68/60/75/1072686075.db2.gz ACVZMYTZJMCLLH-YDZHTSKRSA-N 0 0 543.041 5.921 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409386322 1072687608 /nfs/dbraw/zinc/68/76/08/1072687608.db2.gz MMKZQIRKCMTXFN-LMXLVEHLSA-N 0 0 535.474 5.549 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409159189 1072690581 /nfs/dbraw/zinc/69/05/81/1072690581.db2.gz ZKOHNQAJPXXLFZ-MZJWZYIUSA-N 0 0 649.751 5.855 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409383551 1072701837 /nfs/dbraw/zinc/70/18/37/1072701837.db2.gz WUAWHGGYYQZSRU-PKAZHMFMSA-N 0 0 547.652 5.861 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1F ZINC000409383603 1072702476 /nfs/dbraw/zinc/70/24/76/1072702476.db2.gz XYGBFTZSIQJDPQ-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166606 1072703759 /nfs/dbraw/zinc/70/37/59/1072703759.db2.gz DHXAIPSPXQFCFF-YPCDYVTLSA-N 0 0 535.438 7.388 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409382107 1072708918 /nfs/dbraw/zinc/70/89/18/1072708918.db2.gz YAQKDBBZEXRNKN-PKAZHMFMSA-N 0 0 564.107 6.375 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S)c1ccccc1 ZINC000409176929 1072709477 /nfs/dbraw/zinc/70/94/77/1072709477.db2.gz BINOLIMEGAAHRJ-UDWIEESQSA-N 0 0 698.345 6.021 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409176647 1072710324 /nfs/dbraw/zinc/71/03/24/1072710324.db2.gz UFHOJZPBBGHCNG-SRZZPIQSSA-N 0 0 611.885 7.077 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)SC1=S ZINC000409381673 1072710711 /nfs/dbraw/zinc/71/07/11/1072710711.db2.gz IHUFTSKAFDCSML-YVLHZVERSA-N 0 0 621.303 6.004 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409175450 1072716251 /nfs/dbraw/zinc/71/62/51/1072716251.db2.gz RMZNLFQZGCGPKX-GLDPYIMESA-N 0 0 575.728 8.279 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409175281 1072717061 /nfs/dbraw/zinc/71/70/61/1072717061.db2.gz ZQNAXUGNUGQKIH-YPCDYVTLSA-N 0 0 510.859 7.825 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409174728 1072720424 /nfs/dbraw/zinc/72/04/24/1072720424.db2.gz UKHXTBXBVJTIPL-FYJGNVAPSA-N 0 0 636.920 6.078 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409379943 1072721278 /nfs/dbraw/zinc/72/12/78/1072721278.db2.gz CVTOQLDETLDQIT-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000409388641 1072736596 /nfs/dbraw/zinc/73/65/96/1072736596.db2.gz VVTQTSBGERMXLM-YVLHZVERSA-N 0 0 556.403 5.008 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409171893 1072738221 /nfs/dbraw/zinc/73/82/21/1072738221.db2.gz CUZJSICHUTUKTR-UBKPWBPPSA-N 0 0 546.823 5.208 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C2=O)o1 ZINC000409400033 1072747221 /nfs/dbraw/zinc/74/72/21/1072747221.db2.gz NGLFEUVZQDTJOB-YSMPRRRNSA-N 0 0 543.551 5.285 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409169532 1072749731 /nfs/dbraw/zinc/74/97/31/1072749731.db2.gz RKTHKFYVHKZGMX-XFAGBWLFSA-N 0 0 610.719 8.732 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)o1 ZINC000409399178 1072750641 /nfs/dbraw/zinc/75/06/41/1072750641.db2.gz IFWNSGMIOCMXKE-XKZIYDEJSA-N 0 0 503.942 5.124 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167492 1072760811 /nfs/dbraw/zinc/76/08/11/1072760811.db2.gz IQLNVYHKZKBIAR-QOMXPILVSA-N 0 0 572.930 9.184 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186218 1072762176 /nfs/dbraw/zinc/76/21/76/1072762176.db2.gz ZAIVKNQLZVICGX-BRBBWVIMSA-N 0 0 700.655 7.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186259 1072762831 /nfs/dbraw/zinc/76/28/31/1072762831.db2.gz ZOORHNIZRYPQIR-JQHJMVRRSA-N 0 0 778.891 8.583 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186108 1072763586 /nfs/dbraw/zinc/76/35/86/1072763586.db2.gz WRLJYTSWPVHBSE-UHRFSTDXSA-N 0 0 656.808 7.193 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186157 1072764619 /nfs/dbraw/zinc/76/46/19/1072764619.db2.gz XUCOPPHVWLCSMV-ZGMIACJESA-N 0 0 873.813 9.815 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186162 1072764637 /nfs/dbraw/zinc/76/46/37/1072764637.db2.gz XVVYRRAFFUKGAU-YCBFNXPYSA-N 0 0 655.776 7.542 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186021 1072765890 /nfs/dbraw/zinc/76/58/90/1072765890.db2.gz VFIGMALCMWEZCS-JWEWMGFHSA-N 0 0 772.077 8.664 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186015 1072766001 /nfs/dbraw/zinc/76/60/01/1072766001.db2.gz VBVZHUUZPBGZRI-HKSWJDOOSA-N 0 0 665.768 5.640 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185638 1072768142 /nfs/dbraw/zinc/76/81/42/1072768142.db2.gz NSCDLENOAJBGLO-DKDMBQFYSA-N 0 0 825.623 9.492 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185689 1072768592 /nfs/dbraw/zinc/76/85/92/1072768592.db2.gz ORHYKKMFYMPFDF-KGWDWBNBSA-N 0 0 635.786 6.877 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185717 1072768856 /nfs/dbraw/zinc/76/88/56/1072768856.db2.gz PAPCBNNVXCYMDB-RAJJVIMISA-N 0 0 777.697 8.330 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185493 1072769788 /nfs/dbraw/zinc/76/97/88/1072769788.db2.gz LZPYQFMAHIGOSH-CZUMTRSGSA-N 0 0 749.525 8.004 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185483 1072769823 /nfs/dbraw/zinc/76/98/23/1072769823.db2.gz LWKAJXWNUNBJHR-CDVILPPRSA-N 0 0 722.694 8.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185533 1072769847 /nfs/dbraw/zinc/76/98/47/1072769847.db2.gz MDOSSFAOUSQOJX-LXGQMLINSA-N 0 0 728.827 7.576 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185218 1072771661 /nfs/dbraw/zinc/77/16/61/1072771661.db2.gz KHQNUXAIEDFJKP-HFUBRNPGSA-N 0 0 698.801 7.567 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185227 1072771676 /nfs/dbraw/zinc/77/16/76/1072771676.db2.gz KJFRQSDGGIIDJI-GXKDRIIESA-N 0 0 811.198 9.473 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185104 1072772034 /nfs/dbraw/zinc/77/20/34/1072772034.db2.gz JEJBAIHFTATDNU-DKDMBQFYSA-N 0 0 797.171 9.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Cl)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184914 1072773014 /nfs/dbraw/zinc/77/30/14/1072773014.db2.gz IMLSLLLYWWHIFC-FMWYSGSYSA-N 0 0 582.125 6.733 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184787 1072774434 /nfs/dbraw/zinc/77/44/34/1072774434.db2.gz HTEGAENKISVNMP-VNYHAFIISA-N 0 0 682.629 8.647 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184508 1072776383 /nfs/dbraw/zinc/77/63/83/1072776383.db2.gz XSVSJGIHYSNSLP-GTQJOKNTSA-N 0 0 698.845 7.274 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409184411 1072777604 /nfs/dbraw/zinc/77/76/04/1072777604.db2.gz XVTIAFGSFWNOOY-FYJGNVAPSA-N 0 0 636.920 6.078 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184192 1072778070 /nfs/dbraw/zinc/77/80/70/1072778070.db2.gz FOKAWSADKHLUAA-CMSNYSJNSA-N 0 0 722.694 8.966 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409184299 1072778604 /nfs/dbraw/zinc/77/86/04/1072778604.db2.gz VXALGUIVONZEIH-PCLIKHOPSA-N 0 0 561.685 5.266 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183788 1072780729 /nfs/dbraw/zinc/78/07/29/1072780729.db2.gz DNRVNWIGOJUWKS-RQBSVBTHSA-N 0 0 923.586 9.007 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183347 1072783959 /nfs/dbraw/zinc/78/39/59/1072783959.db2.gz RTUGKNYCKHNSSQ-BUTQTWLWSA-N 0 0 698.801 7.567 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183333 1072783996 /nfs/dbraw/zinc/78/39/96/1072783996.db2.gz BIHOKIUXZUCTPW-UBRCSBIKSA-N 0 0 709.699 8.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183344 1072784007 /nfs/dbraw/zinc/78/40/07/1072784007.db2.gz RRBUVHGVOMGRNO-QICITKFESA-N 0 0 782.498 7.456 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409182932 1072787289 /nfs/dbraw/zinc/78/72/89/1072787289.db2.gz QJIPCZVBFJAIQV-WSDLNYQXSA-N 0 0 600.472 5.491 40 10 KKCBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409182572 1072788864 /nfs/dbraw/zinc/78/88/64/1072788864.db2.gz MPOQUJVHOKBCMH-SBKSSYNVSA-N 0 0 613.309 7.512 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182488 1072789740 /nfs/dbraw/zinc/78/97/40/1072789740.db2.gz LSVPQUAPTWNKTH-PTAUTPSXSA-N 0 0 686.790 7.865 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182341 1072791400 /nfs/dbraw/zinc/79/14/00/1072791400.db2.gz KPLQUGTVLYSCKS-RQBSVBTHSA-N 0 0 937.492 9.788 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182316 1072791522 /nfs/dbraw/zinc/79/15/22/1072791522.db2.gz KJROOXCTHSSUSO-DGWBYFALSA-N 0 0 841.743 8.801 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1C ZINC000409182265 1072792821 /nfs/dbraw/zinc/79/28/21/1072792821.db2.gz KCDAEXVFABYEIX-FOKLQQMPSA-N 0 0 605.938 7.282 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409181428 1072796949 /nfs/dbraw/zinc/79/69/49/1072796949.db2.gz CHUOBYFMAXDAIV-FBHDLOMBSA-N 0 0 579.856 7.135 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181462 1072797424 /nfs/dbraw/zinc/79/74/24/1072797424.db2.gz AXMNIFQXTHZCCL-HVPHOBGISA-N 0 0 787.165 9.628 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409181001 1072800773 /nfs/dbraw/zinc/80/07/73/1072800773.db2.gz XRBZYBQEPKEOCD-CAOOACKPSA-N 0 0 530.824 5.589 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409180717 1072802501 /nfs/dbraw/zinc/80/25/01/1072802501.db2.gz ZFNKHZPPJUXWQA-SRZZPIQSSA-N 0 0 564.885 7.235 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409180447 1072804155 /nfs/dbraw/zinc/80/41/55/1072804155.db2.gz SWWWXXWSZSMOBG-OVVQPSECSA-N 0 0 540.666 6.364 40 10 KKCBRN COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409409819 1072808521 /nfs/dbraw/zinc/80/85/21/1072808521.db2.gz XLRJYUQHJWVKLY-NDENLUEZSA-N 0 0 558.226 5.261 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1I ZINC000409179340 1072811311 /nfs/dbraw/zinc/81/13/11/1072811311.db2.gz RKEIPLOEJQOWJC-CHHVJCJISA-N 0 0 505.761 5.498 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409178473 1072817926 /nfs/dbraw/zinc/81/79/26/1072817926.db2.gz INJKCWAYSAJBDQ-YZSQISJMSA-N 0 0 666.562 6.968 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S)c1ccccc1 ZINC000409177996 1072820452 /nfs/dbraw/zinc/82/04/52/1072820452.db2.gz FSSKDNBGGRJDQD-KGENOOAVSA-N 0 0 525.449 5.574 40 10 KKCBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)cc2)cc1 ZINC000409177830 1072820875 /nfs/dbraw/zinc/82/08/75/1072820875.db2.gz JFHVBWYPRIDUDF-ULIFNZDWSA-N 0 0 521.573 6.735 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409192369 1072825218 /nfs/dbraw/zinc/82/52/18/1072825218.db2.gz BLFBNBKMXMXXJB-NDENLUEZSA-N 0 0 534.806 6.593 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409196804 1072829267 /nfs/dbraw/zinc/82/92/67/1072829267.db2.gz XXDGZOKUCOYSQY-ZVBGSRNCSA-N 0 0 630.210 8.503 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000409196596 1072829723 /nfs/dbraw/zinc/82/97/23/1072829723.db2.gz WOTUYDHGEDFXKT-FMCGGJTJSA-N 0 0 512.487 6.952 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409194876 1072840134 /nfs/dbraw/zinc/84/01/34/1072840134.db2.gz DQJYUWILMNDRFH-TURZUDJPSA-N 0 0 506.652 7.279 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 ZINC000409194421 1072843016 /nfs/dbraw/zinc/84/30/16/1072843016.db2.gz LFMSNPCRIJHAFG-JAIQZWGSSA-N 0 0 563.907 7.568 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409194486 1072843596 /nfs/dbraw/zinc/84/35/96/1072843596.db2.gz CIENKMJLDFRORR-JJFYIABZSA-N 0 0 625.912 7.386 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409193737 1072848540 /nfs/dbraw/zinc/84/85/40/1072848540.db2.gz LDTFTOUKTVRDIC-PIXWUVMMSA-N 0 0 736.663 6.016 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)ccc1Cl ZINC000409193555 1072849233 /nfs/dbraw/zinc/84/92/33/1072849233.db2.gz GMSLTGLDYAYEBZ-QFEZKATASA-N 0 0 582.078 5.998 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409193582 1072849380 /nfs/dbraw/zinc/84/93/80/1072849380.db2.gz HFJZKVXOZVIBKH-RQZCQDPDSA-N 0 0 634.311 5.410 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409193093 1072850777 /nfs/dbraw/zinc/85/07/77/1072850777.db2.gz BOMTZITUOBMQTF-MFOYZWKCSA-N 0 0 587.311 5.568 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409193177 1072851653 /nfs/dbraw/zinc/85/16/53/1072851653.db2.gz DQRDHFMOEFPAKP-CIAFOILYSA-N 0 0 546.895 7.096 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409190563 1072869394 /nfs/dbraw/zinc/86/93/94/1072869394.db2.gz ZQCHXZWWAHAWGK-MZJWZYIUSA-N 0 0 583.924 8.874 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409206962 1072887810 /nfs/dbraw/zinc/88/78/10/1072887810.db2.gz RQNBIRZECJODQR-JLPGSUDCSA-N 0 0 535.488 6.889 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207018 1072888399 /nfs/dbraw/zinc/88/83/99/1072888399.db2.gz YUFAAQVNCJDYHG-NHDPSOOVSA-N 0 0 544.010 6.249 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409206609 1072891445 /nfs/dbraw/zinc/89/14/45/1072891445.db2.gz YFXFGGVMGZYIKX-XYGWBWBKSA-N 0 0 568.621 5.498 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409206051 1072894902 /nfs/dbraw/zinc/89/49/02/1072894902.db2.gz LZMSJHLTKIOGFY-CIAFOILYSA-N 0 0 563.926 6.646 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409205877 1072895793 /nfs/dbraw/zinc/89/57/93/1072895793.db2.gz QBRVVYMNSVCESX-SRZZPIQSSA-N 0 0 595.765 7.850 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409205239 1072898948 /nfs/dbraw/zinc/89/89/48/1072898948.db2.gz APLCLDLAQGWSPK-YDZHTSKRSA-N 0 0 542.082 5.712 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc(Br)c1 ZINC000409205246 1072899073 /nfs/dbraw/zinc/89/90/73/1072899073.db2.gz OWWZCDNMTPQSCG-KEBDBYFISA-N 0 0 558.391 6.464 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000409205098 1072900477 /nfs/dbraw/zinc/90/04/77/1072900477.db2.gz LQERECZQEWLQLX-NDENLUEZSA-N 0 0 514.968 6.091 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409204984 1072901614 /nfs/dbraw/zinc/90/16/14/1072901614.db2.gz MSWZUMZFYVQFRV-AFUMVMLFSA-N 0 0 579.704 5.414 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409204525 1072904118 /nfs/dbraw/zinc/90/41/18/1072904118.db2.gz IBHMHDRVTDNZSV-OYKKKHCWSA-N 0 0 569.933 7.542 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)cc1 ZINC000409204186 1072905542 /nfs/dbraw/zinc/90/55/42/1072905542.db2.gz CXHFYAWUWHCMDS-CFRMEGHHSA-N 0 0 519.489 7.166 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OCC)cc4)C3=O)o2)ccc1Cl ZINC000409204305 1072906552 /nfs/dbraw/zinc/90/65/52/1072906552.db2.gz FSRWYWDKVGASLF-HYARGMPZSA-N 0 0 514.024 6.581 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1 ZINC000409199792 1072923818 /nfs/dbraw/zinc/92/38/18/1072923818.db2.gz JYJWSGSAYIEWGO-HZHRSRAPSA-N 0 0 518.616 5.205 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)ccc1Cl ZINC000409198331 1072930069 /nfs/dbraw/zinc/93/00/69/1072930069.db2.gz COZHQTARNZYUIM-CIAFOILYSA-N 0 0 561.468 6.285 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409198408 1072930483 /nfs/dbraw/zinc/93/04/83/1072930483.db2.gz FUDCRGWYALFAEH-CIAFOILYSA-N 0 0 610.926 6.488 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409198048 1072931892 /nfs/dbraw/zinc/93/18/92/1072931892.db2.gz VSVWPPGKXXLATI-VULFUBBASA-N 0 0 628.976 7.203 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)cc2)c1 ZINC000409198068 1072931938 /nfs/dbraw/zinc/93/19/38/1072931938.db2.gz WEKCPYDJVZDRFX-LPYMAVHISA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197926 1072932380 /nfs/dbraw/zinc/93/23/80/1072932380.db2.gz SCOJXKVYDXUEPD-IWIPYMOSSA-N 0 0 616.546 6.659 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409198023 1072933285 /nfs/dbraw/zinc/93/32/85/1072933285.db2.gz UWOXHUWSSWJRBX-QRVIBDJDSA-N 0 0 508.577 5.597 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409215053 1072950948 /nfs/dbraw/zinc/95/09/48/1072950948.db2.gz ZLGLZSXCKFXWRB-LQKURTRISA-N 0 0 573.024 5.997 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409211246 1072962641 /nfs/dbraw/zinc/96/26/41/1072962641.db2.gz NGEZEVCKCGWNHE-UHFFFAOYSA-N 0 0 520.614 5.237 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409209588 1072967597 /nfs/dbraw/zinc/96/75/97/1072967597.db2.gz CRFCCODYYJJAGS-LQKURTRISA-N 0 0 573.024 5.997 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409225272 1072979282 /nfs/dbraw/zinc/97/92/82/1072979282.db2.gz KGNGCYFRNALZFK-IXGURIBZSA-N 0 0 552.596 5.112 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409225064 1072979800 /nfs/dbraw/zinc/97/98/00/1072979800.db2.gz JLJGQQPDCSTRNU-MTJSOVHGSA-N 0 0 579.914 7.079 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409224408 1072984087 /nfs/dbraw/zinc/98/40/87/1072984087.db2.gz JZDSVZXQZYLFMD-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)SC1=S ZINC000409222570 1072991725 /nfs/dbraw/zinc/99/17/25/1072991725.db2.gz BZNNRSYDEQGKEM-BKUYFWCQSA-N 0 0 549.512 5.785 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222670 1072992265 /nfs/dbraw/zinc/99/22/65/1072992265.db2.gz CVBMAOWWYZSOOV-CFRMEGHHSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409221395 1073000026 /nfs/dbraw/zinc/00/00/26/1073000026.db2.gz PQMQXRNAQMSSTK-QQXSKIMKSA-N 0 0 567.132 6.509 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409221203 1073000386 /nfs/dbraw/zinc/00/03/86/1073000386.db2.gz MNWONPJAFXSXGM-KSEXSDGBSA-N 0 0 559.496 6.815 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000409220962 1073000871 /nfs/dbraw/zinc/00/08/71/1073000871.db2.gz ILZPOIBMWMUOJL-XKZIYDEJSA-N 0 0 557.466 6.320 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409220802 1073003100 /nfs/dbraw/zinc/00/31/00/1073003100.db2.gz FZQDAYDRZRTURL-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409218182 1073014003 /nfs/dbraw/zinc/01/40/03/1073014003.db2.gz DGFBYBJSLBSBOQ-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409229758 1073018271 /nfs/dbraw/zinc/01/82/71/1073018271.db2.gz URNMWDVLPJCGLI-NAHYFOQLSA-N 0 0 553.105 6.719 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409229633 1073019047 /nfs/dbraw/zinc/01/90/47/1073019047.db2.gz SCNAWVVNKVRICR-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409229546 1073020512 /nfs/dbraw/zinc/02/05/12/1073020512.db2.gz QWOVQCGEHMHGQM-OKCVXOCRSA-N 0 0 578.713 6.102 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 ZINC000409229051 1073023099 /nfs/dbraw/zinc/02/30/99/1073023099.db2.gz IZOKCTZQINLYIJ-XKZIYDEJSA-N 0 0 540.439 5.540 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409228206 1073028463 /nfs/dbraw/zinc/02/84/63/1073028463.db2.gz VXQXQIANQMRLHC-OYKKKHCWSA-N 0 0 572.630 6.754 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409227375 1073032601 /nfs/dbraw/zinc/03/26/01/1073032601.db2.gz YDHXNAOWCOETNX-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409237119 1073033998 /nfs/dbraw/zinc/03/39/98/1073033998.db2.gz JDVUOUJPGKMHSH-OGLMXYFKSA-N 0 0 556.460 6.529 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409237142 1073034126 /nfs/dbraw/zinc/03/41/26/1073034126.db2.gz JNWSTLYBVRBGIM-XYGWBWBKSA-N 0 0 586.657 6.566 40 10 KKCBRN O=C1C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409236597 1073037062 /nfs/dbraw/zinc/03/70/62/1073037062.db2.gz SEULZKABSHPISP-UHFFFAOYSA-N 0 0 531.612 6.577 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409236498 1073038324 /nfs/dbraw/zinc/03/83/24/1073038324.db2.gz SJBWKHPGHOYYFB-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409236005 1073040598 /nfs/dbraw/zinc/04/05/98/1073040598.db2.gz DWCFQJHZIDWJRH-PCLIKHOPSA-N 0 0 511.043 6.399 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409236103 1073040942 /nfs/dbraw/zinc/04/09/42/1073040942.db2.gz RAPADOLEOFRGPU-WNFQYIGGSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)cc1 ZINC000409235446 1073043723 /nfs/dbraw/zinc/04/37/23/1073043723.db2.gz QAXMGPUWZLZJBM-FSJBWODESA-N 0 0 510.015 5.740 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409235699 1073043739 /nfs/dbraw/zinc/04/37/39/1073043739.db2.gz PVNZQSYFUUJESA-CFRMEGHHSA-N 0 0 588.538 6.491 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409235063 1073046508 /nfs/dbraw/zinc/04/65/08/1073046508.db2.gz AUXUVIDQSRFVDD-UCQKPKSFSA-N 0 0 557.068 6.610 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000409234791 1073048327 /nfs/dbraw/zinc/04/83/27/1073048327.db2.gz MMJKKUVRVRDULM-HMAPJEAMSA-N 0 0 555.475 5.881 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409234632 1073049339 /nfs/dbraw/zinc/04/93/39/1073049339.db2.gz OFFXYFSNUMBWRZ-MTJSOVHGSA-N 0 0 500.407 6.076 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409234421 1073049820 /nfs/dbraw/zinc/04/98/20/1073049820.db2.gz WLZRJLKJSLSUPP-ZGWJWYQGSA-N 0 0 573.523 6.982 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C2=O)cc1 ZINC000409234488 1073050145 /nfs/dbraw/zinc/05/01/45/1073050145.db2.gz KYSKTQCSQLZAGN-FSJBWODESA-N 0 0 526.014 5.440 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409233275 1073056263 /nfs/dbraw/zinc/05/62/63/1073056263.db2.gz UNHDEIVBCLIETQ-VROXFSQNSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409233217 1073057986 /nfs/dbraw/zinc/05/79/86/1073057986.db2.gz DLYLHEKJWQUXQT-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000409232635 1073060861 /nfs/dbraw/zinc/06/08/61/1073060861.db2.gz ASTDYNTTWQEMOO-BKUYFWCQSA-N 0 0 530.444 5.123 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409232154 1073062763 /nfs/dbraw/zinc/06/27/63/1073062763.db2.gz NHYCCJVKHYLXLE-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409231902 1073064269 /nfs/dbraw/zinc/06/42/69/1073064269.db2.gz LSZYXEUUKVYGDD-QRVIBDJDSA-N 0 0 557.068 6.528 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409231645 1073064306 /nfs/dbraw/zinc/06/43/06/1073064306.db2.gz DRYQDQILWDWQFB-QRVIBDJDSA-N 0 0 558.512 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409231605 1073065380 /nfs/dbraw/zinc/06/53/80/1073065380.db2.gz KHJGCAGHXVXVCW-NAHYFOQLSA-N 0 0 586.657 7.084 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409230626 1073068575 /nfs/dbraw/zinc/06/85/75/1073068575.db2.gz DNMHETCZBLAPEN-UCQKPKSFSA-N 0 0 557.068 6.610 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409230503 1073069411 /nfs/dbraw/zinc/06/94/11/1073069411.db2.gz YXHBRCQZEADMED-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409230497 1073069426 /nfs/dbraw/zinc/06/94/26/1073069426.db2.gz YVMNPWODMUDQKV-JJFYIABZSA-N 0 0 573.479 6.141 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409230399 1073070542 /nfs/dbraw/zinc/07/05/42/1073070542.db2.gz CYOSBBCQROOJGX-NYAPKIOYSA-N 0 0 573.479 6.141 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409230211 1073071008 /nfs/dbraw/zinc/07/10/08/1073071008.db2.gz XMUXHZHHXZKFEZ-GRSHGNNSSA-N 0 0 569.930 6.128 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409247168 1073072107 /nfs/dbraw/zinc/07/21/07/1073072107.db2.gz CHDLONKVGFUDRV-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409247004 1073072451 /nfs/dbraw/zinc/07/24/51/1073072451.db2.gz APMDEMLVYUKYQV-IWIPYMOSSA-N 0 0 537.638 5.324 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409246878 1073073286 /nfs/dbraw/zinc/07/32/86/1073073286.db2.gz KMQZSCTVOVAOCL-OYKKKHCWSA-N 0 0 588.629 6.536 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409246861 1073073299 /nfs/dbraw/zinc/07/32/99/1073073299.db2.gz FMMLISKSMPELCO-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409246901 1073074230 /nfs/dbraw/zinc/07/42/30/1073074230.db2.gz KURBCTNELIXVNX-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1 ZINC000409246376 1073076505 /nfs/dbraw/zinc/07/65/05/1073076505.db2.gz HKVLSCNHSWYLPH-HAHDFKILSA-N 0 0 568.518 5.938 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1C ZINC000409246643 1073076651 /nfs/dbraw/zinc/07/66/51/1073076651.db2.gz KBIKKEWNVRTWEE-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409246416 1073077083 /nfs/dbraw/zinc/07/70/83/1073077083.db2.gz ICFQHSHWBXRPAV-UZQMFHLOSA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409244553 1073088231 /nfs/dbraw/zinc/08/82/31/1073088231.db2.gz FKMMSKLBHFZHEF-XYGWBWBKSA-N 0 0 567.132 7.033 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409243773 1073091272 /nfs/dbraw/zinc/09/12/72/1073091272.db2.gz YIJWSQFJJTWGKA-QQXSKIMKSA-N 0 0 567.132 6.509 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409243389 1073093132 /nfs/dbraw/zinc/09/31/32/1073093132.db2.gz YFLHFJWLFZSVRS-OGLMXYFKSA-N 0 0 512.009 6.419 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c3)SC2=S)cc1 ZINC000409243224 1073093728 /nfs/dbraw/zinc/09/37/28/1073093728.db2.gz QSMUHCKOECOOLP-OYKKKHCWSA-N 0 0 572.630 6.700 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409242764 1073095467 /nfs/dbraw/zinc/09/54/67/1073095467.db2.gz SYHNLASRRTYPGR-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)SC1=S ZINC000409242648 1073096424 /nfs/dbraw/zinc/09/64/24/1073096424.db2.gz XJJHGBWCLBBSGB-SXGWCWSVSA-N 0 0 576.321 6.003 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409241483 1073101687 /nfs/dbraw/zinc/10/16/87/1073101687.db2.gz NVNUVWXEMGOHLU-UYRXBGFRSA-N 0 0 582.485 5.319 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409241453 1073101747 /nfs/dbraw/zinc/10/17/47/1073101747.db2.gz XPLNGGTVLOWHDX-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409241488 1073101756 /nfs/dbraw/zinc/10/17/56/1073101756.db2.gz NVTJFEGMJMGCSS-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409241110 1073102672 /nfs/dbraw/zinc/10/26/72/1073102672.db2.gz ITNQQBZTVKTEDZ-CFRMEGHHSA-N 0 0 588.629 6.536 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409240492 1073108329 /nfs/dbraw/zinc/10/83/29/1073108329.db2.gz QAXCRWFCPJUHRC-XYGWBWBKSA-N 0 0 586.657 7.090 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)SC1=S ZINC000409240099 1073109856 /nfs/dbraw/zinc/10/98/56/1073109856.db2.gz JPQUSDSINHHYJW-XYLCRUHJSA-N 0 0 553.503 6.429 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409239874 1073111948 /nfs/dbraw/zinc/11/19/48/1073111948.db2.gz RHOUIUQFPKIZKA-WGARJPEWSA-N 0 0 562.669 5.541 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)SC1=S ZINC000409239681 1073112427 /nfs/dbraw/zinc/11/24/27/1073112427.db2.gz IINOQIHOOYCVAY-BKUYFWCQSA-N 0 0 549.512 5.785 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409239634 1073113754 /nfs/dbraw/zinc/11/37/54/1073113754.db2.gz HTLBYFOXTWTRHM-IUXPMGMMSA-N 0 0 588.876 5.158 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409238552 1073119357 /nfs/dbraw/zinc/11/93/57/1073119357.db2.gz DVWDQGOYWIDHSY-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409237748 1073125924 /nfs/dbraw/zinc/12/59/24/1073125924.db2.gz LLIDWMQMXKLJFX-QFEZKATASA-N 0 0 587.550 7.378 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409237412 1073127699 /nfs/dbraw/zinc/12/76/99/1073127699.db2.gz UJDYTBYQCNBDEJ-MTJSOVHGSA-N 0 0 579.021 6.791 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409249512 1073141823 /nfs/dbraw/zinc/14/18/23/1073141823.db2.gz UMQZZMAUDFSCKU-GATIEOLUSA-N 0 0 583.087 5.805 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409249011 1073144229 /nfs/dbraw/zinc/14/42/29/1073144229.db2.gz MIWPIPMZLQASDN-GATIEOLUSA-N 0 0 583.087 5.805 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccccc1Cl ZINC000409248875 1073145309 /nfs/dbraw/zinc/14/53/09/1073145309.db2.gz HOHDAXUEKGXFRQ-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)SC1=S ZINC000409248974 1073145875 /nfs/dbraw/zinc/14/58/75/1073145875.db2.gz HYOCNIVAYRQQBZ-UNOMPAQXSA-N 0 0 541.478 5.257 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409248498 1073148439 /nfs/dbraw/zinc/14/84/39/1073148439.db2.gz KSCHBUMRZRWDJK-NKVSQWTQSA-N 0 0 584.333 7.724 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409248262 1073148825 /nfs/dbraw/zinc/14/88/25/1073148825.db2.gz DFWITHIFHRNPIC-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409248024 1073150953 /nfs/dbraw/zinc/15/09/53/1073150953.db2.gz JOSIKTZVWPVJNQ-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409247779 1073153015 /nfs/dbraw/zinc/15/30/15/1073153015.db2.gz NUXNFYBNCATQIA-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)SC2=S)cc1 ZINC000409257197 1073157008 /nfs/dbraw/zinc/15/70/08/1073157008.db2.gz OWJVVDYFFHMUBK-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1C ZINC000409256771 1073159771 /nfs/dbraw/zinc/15/97/71/1073159771.db2.gz PXJXIWRZOSLCHK-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409256825 1073159773 /nfs/dbraw/zinc/15/97/73/1073159773.db2.gz QECLPSRKMVLUAG-BRLDDBHUSA-N 0 0 522.570 5.103 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(CC)cc4)cc3)SC2=S)cc1 ZINC000409256497 1073160617 /nfs/dbraw/zinc/16/06/17/1073160617.db2.gz OVIRLULIQYPILA-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409256110 1073163840 /nfs/dbraw/zinc/16/38/40/1073163840.db2.gz NYVMOIXLMIXQGA-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409255899 1073164581 /nfs/dbraw/zinc/16/45/81/1073164581.db2.gz LSCRNXBLHKKROM-UFAQQFSPSA-N 0 0 518.660 5.984 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2OC)cc1 ZINC000409255132 1073168160 /nfs/dbraw/zinc/16/81/60/1073168160.db2.gz KNINJPUXSIALOI-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409254873 1073169545 /nfs/dbraw/zinc/16/95/45/1073169545.db2.gz JKQMNCKZTQWAFZ-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409254806 1073170993 /nfs/dbraw/zinc/17/09/93/1073170993.db2.gz GCIQIBAFZFOCAL-FDRCZSESSA-N 0 0 532.687 6.238 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c(C)c1 ZINC000409254609 1073171827 /nfs/dbraw/zinc/17/18/27/1073171827.db2.gz XVTHWOICPXCGTI-UQQQWYQISA-N 0 0 516.688 6.073 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2Cl)cc1 ZINC000409254079 1073177195 /nfs/dbraw/zinc/17/71/95/1073177195.db2.gz CSCUZQMHAQJGTG-IWIPYMOSSA-N 0 0 539.078 6.334 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000409254045 1073177218 /nfs/dbraw/zinc/17/72/18/1073177218.db2.gz HLLCIAOCPFKAIZ-JCMHNJIXSA-N 0 0 533.115 6.320 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1C ZINC000409253902 1073178085 /nfs/dbraw/zinc/17/80/85/1073178085.db2.gz VWBZQWNMWLOGDW-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409253604 1073180153 /nfs/dbraw/zinc/18/01/53/1073180153.db2.gz XHRIMEUGQRHZJG-YSMPRRRNSA-N 0 0 546.714 6.661 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409253374 1073180712 /nfs/dbraw/zinc/18/07/12/1073180712.db2.gz BOSVJQOZWKYUSK-NVMNQCDNSA-N 0 0 545.004 5.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409253447 1073181092 /nfs/dbraw/zinc/18/10/92/1073181092.db2.gz GFRGMLYQAXEAQO-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1 ZINC000409253212 1073183015 /nfs/dbraw/zinc/18/30/15/1073183015.db2.gz AXGIFALAVICJHF-IWIPYMOSSA-N 0 0 536.631 5.136 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409252388 1073187553 /nfs/dbraw/zinc/18/75/53/1073187553.db2.gz SIMSXEVRDKAZAX-GXHLCREISA-N 0 0 511.452 5.629 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409251858 1073190961 /nfs/dbraw/zinc/19/09/61/1073190961.db2.gz QPIUZTHKHFYPES-JLPGSUDCSA-N 0 0 587.550 6.854 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409251812 1073191030 /nfs/dbraw/zinc/19/10/30/1073191030.db2.gz QHWBYTIJUXPOAC-ROTLSHHCSA-N 0 0 587.550 7.432 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)SC2=S)cc1Cl ZINC000409265315 1073194974 /nfs/dbraw/zinc/19/49/74/1073194974.db2.gz SDNOBXJCMAOXAS-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263000 1073195832 /nfs/dbraw/zinc/19/58/32/1073195832.db2.gz GOCCYHTVXPZOGY-FMCGGJTJSA-N 0 0 543.066 6.059 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409266760 1073200237 /nfs/dbraw/zinc/20/02/37/1073200237.db2.gz KZUSVCUJKDZKEP-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266325 1073202865 /nfs/dbraw/zinc/20/28/65/1073202865.db2.gz QRXGWBRLESOPIN-UHFFFAOYSA-N 0 0 589.648 6.303 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1Cl ZINC000034386788 1073203474 /nfs/dbraw/zinc/20/34/74/1073203474.db2.gz GRRFEIIVLKMBJC-XQNSMLJCSA-N 0 0 509.031 5.284 40 10 KKCBRN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000026840871 1073204058 /nfs/dbraw/zinc/20/40/58/1073204058.db2.gz HIMDYQBMIFDOCZ-RCCKNPSSSA-N 0 0 517.632 5.779 40 10 KKCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 ZINC000026840789 1073204066 /nfs/dbraw/zinc/20/40/66/1073204066.db2.gz GXSYCMJZCSLIGK-XSFVSMFZSA-N 0 0 506.008 5.542 40 10 KKCBRN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000026840848 1073204185 /nfs/dbraw/zinc/20/41/85/1073204185.db2.gz YOAJHNVSDPPKIT-DDNKWHRWSA-N 0 0 521.664 5.165 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 ZINC000409265374 1073207156 /nfs/dbraw/zinc/20/71/56/1073207156.db2.gz HXCNUIGPRRUKCC-UUYOSTAYSA-N 0 0 544.576 6.137 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409265430 1073207607 /nfs/dbraw/zinc/20/76/07/1073207607.db2.gz IHLKBPIFVSVVDZ-MOSHPQCFSA-N 0 0 515.443 6.417 40 10 KKCBRN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000033587445 1073207853 /nfs/dbraw/zinc/20/78/53/1073207853.db2.gz YISNAONURQFCJH-BUVRLJJBSA-N 0 0 518.063 6.603 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)SC2=S)cc1 ZINC000409265154 1073208848 /nfs/dbraw/zinc/20/88/48/1073208848.db2.gz OAHYCHWTMIWLQX-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409264934 1073209331 /nfs/dbraw/zinc/20/93/31/1073209331.db2.gz LVHCGIYQIAYIIW-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409264464 1073212837 /nfs/dbraw/zinc/21/28/37/1073212837.db2.gz KJIXDNGKHIOBDW-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409264046 1073214036 /nfs/dbraw/zinc/21/40/36/1073214036.db2.gz JJFZXKMHEFEVFX-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409264104 1073214414 /nfs/dbraw/zinc/21/44/14/1073214414.db2.gz JUDRFFSZMBIYPH-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)SC2=S)cc1Cl ZINC000409263321 1073218128 /nfs/dbraw/zinc/21/81/28/1073218128.db2.gz KJJHPJQUYKQRHC-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409263427 1073218564 /nfs/dbraw/zinc/21/85/64/1073218564.db2.gz JEDOYLIUNDXTSV-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1 ZINC000409263406 1073218598 /nfs/dbraw/zinc/21/85/98/1073218598.db2.gz KQTGZCHFJKZTHC-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1 ZINC000409263078 1073219671 /nfs/dbraw/zinc/21/96/71/1073219671.db2.gz KDOGXQOZTKRJEX-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c1 ZINC000409262606 1073221190 /nfs/dbraw/zinc/22/11/90/1073221190.db2.gz JCBDGTOPXVQWTA-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409262217 1073223111 /nfs/dbraw/zinc/22/31/11/1073223111.db2.gz DHVLRDOSRAYYKC-BNCCVWRVSA-N 0 0 532.268 5.604 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409262222 1073223422 /nfs/dbraw/zinc/22/34/22/1073223422.db2.gz GBNNURVBVUMUHT-UHFFFAOYSA-N 0 0 634.903 7.556 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)SC1=S ZINC000409262060 1073223723 /nfs/dbraw/zinc/22/37/23/1073223723.db2.gz DLNVWQJUQPIJEP-HMAPJEAMSA-N 0 0 533.115 6.374 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)SC1=S ZINC000409261937 1073224888 /nfs/dbraw/zinc/22/48/88/1073224888.db2.gz GCCOYCCWSTWXTK-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409261838 1073226082 /nfs/dbraw/zinc/22/60/82/1073226082.db2.gz DMAFADHQPOUGDG-JAIQZWGSSA-N 0 0 539.506 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409261096 1073230407 /nfs/dbraw/zinc/23/04/07/1073230407.db2.gz BBXAKCMSWCMEHN-DIBXZPPDSA-N 0 0 546.714 6.109 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)cc2)cc1 ZINC000409260754 1073231811 /nfs/dbraw/zinc/23/18/11/1073231811.db2.gz VTHUIKYTEMEEOX-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409260391 1073233452 /nfs/dbraw/zinc/23/34/52/1073233452.db2.gz PSMZKTPDMGTVEO-YSMPRRRNSA-N 0 0 548.686 6.134 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409260371 1073235018 /nfs/dbraw/zinc/23/50/18/1073235018.db2.gz PKYJMZGABCZEPT-UHFFFAOYSA-N 0 0 575.621 5.913 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409259691 1073237860 /nfs/dbraw/zinc/23/78/60/1073237860.db2.gz COUNCTONUJXDNS-WMWHPZEKSA-N 0 0 539.078 6.329 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409259690 1073237883 /nfs/dbraw/zinc/23/78/83/1073237883.db2.gz COUNCTONUJXDNS-HZRSJKMUSA-N 0 0 539.078 6.329 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000409259470 1073240221 /nfs/dbraw/zinc/24/02/21/1073240221.db2.gz ZUFRJCPTKVFWPC-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259287 1073240596 /nfs/dbraw/zinc/24/05/96/1073240596.db2.gz YAROEMXLBKVLQR-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c(C)c1 ZINC000409259325 1073241095 /nfs/dbraw/zinc/24/10/95/1073241095.db2.gz YJOOWMHJSGOUJO-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1 ZINC000409258709 1073244224 /nfs/dbraw/zinc/24/42/24/1073244224.db2.gz ZIQNTRXPUNQSAU-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409258388 1073245876 /nfs/dbraw/zinc/24/58/76/1073245876.db2.gz UUNGTNWQVBNNIR-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)c1 ZINC000409258369 1073245896 /nfs/dbraw/zinc/24/58/96/1073245896.db2.gz UTVFCTXOKCMUPN-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409258417 1073246246 /nfs/dbraw/zinc/24/62/46/1073246246.db2.gz UAHYTVHFBGDUGV-MYYYXRDXSA-N 0 0 532.687 6.352 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409258240 1073246733 /nfs/dbraw/zinc/24/67/33/1073246733.db2.gz SCGPYJHJLYZSPH-HAHDFKILSA-N 0 0 542.604 6.167 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409258051 1073247113 /nfs/dbraw/zinc/24/71/13/1073247113.db2.gz VYXGTRBSUVNRFA-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257927 1073248384 /nfs/dbraw/zinc/24/83/84/1073248384.db2.gz UTQAEHCDMZOYKI-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409257460 1073250943 /nfs/dbraw/zinc/25/09/43/1073250943.db2.gz PCDALDKMNADIAE-QFEZKATASA-N 0 0 532.643 5.397 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409257530 1073251368 /nfs/dbraw/zinc/25/13/68/1073251368.db2.gz SMCCRFWWXJAPSZ-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)SC1=S ZINC000409257584 1073251780 /nfs/dbraw/zinc/25/17/80/1073251780.db2.gz UBNADHVPYZQPIH-BKUYFWCQSA-N 0 0 519.088 5.984 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1C ZINC000409257456 1073252553 /nfs/dbraw/zinc/25/25/53/1073252553.db2.gz PAJJIJAJEILJDC-XKZIYDEJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(OCc2ccccc2)c1 ZINC000409272732 1073253393 /nfs/dbraw/zinc/25/33/93/1073253393.db2.gz OLELQJWBLMIKSZ-ZVHZXABRSA-N 0 0 569.605 6.204 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2OCC)cc1 ZINC000409271813 1073260091 /nfs/dbraw/zinc/26/00/91/1073260091.db2.gz NIQOGFWVQWIQRP-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1C ZINC000409271493 1073262253 /nfs/dbraw/zinc/26/22/53/1073262253.db2.gz LNLFUZXSDRKMKL-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1 ZINC000409271448 1073263526 /nfs/dbraw/zinc/26/35/26/1073263526.db2.gz LBUNQDFKNPQBSL-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)SC1=S ZINC000409271461 1073263751 /nfs/dbraw/zinc/26/37/51/1073263751.db2.gz LGCZYHRIMOFCTR-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409271235 1073264817 /nfs/dbraw/zinc/26/48/17/1073264817.db2.gz KVXNTBIZFTWKTB-VXIUPONVSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)c2)cc1 ZINC000409270799 1073268439 /nfs/dbraw/zinc/26/84/39/1073268439.db2.gz RFTDKQMHZWMAOB-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409270722 1073269231 /nfs/dbraw/zinc/26/92/31/1073269231.db2.gz HODCQWJKNBMYNO-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(-c5ccccc5)cc(C(F)(F)F)n4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409270071 1073272903 /nfs/dbraw/zinc/27/29/03/1073272903.db2.gz FPENGHIAQSHOJO-NPHLBUJTSA-N 0 0 691.757 6.084 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c(C)c1 ZINC000409270067 1073272917 /nfs/dbraw/zinc/27/29/17/1073272917.db2.gz BTZLLBGHFOZJSI-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409269929 1073273238 /nfs/dbraw/zinc/27/32/38/1073273238.db2.gz BGEVRJWAFKIGDL-FIOJILPZSA-N 0 0 546.714 6.682 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409268886 1073281385 /nfs/dbraw/zinc/28/13/85/1073281385.db2.gz ZCNCXDUCXXLTCO-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409268973 1073281683 /nfs/dbraw/zinc/28/16/83/1073281683.db2.gz CCBLSDWREVBXDB-UQQQWYQISA-N 0 0 533.675 5.575 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409268753 1073282086 /nfs/dbraw/zinc/28/20/86/1073282086.db2.gz YQRQOXOFDXLNFJ-OCSSWDANSA-N 0 0 653.717 6.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409268450 1073283644 /nfs/dbraw/zinc/28/36/44/1073283644.db2.gz ZWHUBRFIKZJKEU-XKZIYDEJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409268182 1073285523 /nfs/dbraw/zinc/28/55/23/1073285523.db2.gz RFJDELDFQYGMAS-HMAPJEAMSA-N 0 0 535.087 5.302 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)SC1=S ZINC000409267859 1073286945 /nfs/dbraw/zinc/28/69/45/1073286945.db2.gz PJFAHDLECIILDX-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267888 1073286955 /nfs/dbraw/zinc/28/69/55/1073286955.db2.gz PQBYAOGNCLKKHC-IUXPMGMMSA-N 0 0 541.876 5.268 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409267901 1073286982 /nfs/dbraw/zinc/28/69/82/1073286982.db2.gz PTOFHDANDQPDEW-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409267844 1073286990 /nfs/dbraw/zinc/28/69/90/1073286990.db2.gz XZMGSOLNQKREAQ-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000409267443 1073289560 /nfs/dbraw/zinc/28/95/60/1073289560.db2.gz VPVZWUBLHYLIFM-QFEZKATASA-N 0 0 532.643 5.397 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409275513 1073297993 /nfs/dbraw/zinc/29/79/93/1073297993.db2.gz JWTUCTBIXHSLFS-VULFUBBASA-N 0 0 590.573 6.713 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409276452 1073329376 /nfs/dbraw/zinc/32/93/76/1073329376.db2.gz RIQOLEDSDFUSST-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)cc1 ZINC000409273354 1073334479 /nfs/dbraw/zinc/33/44/79/1073334479.db2.gz XPUBZEJXQMCFSQ-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCc1ccc(Cl)cc1 ZINC000059418121 193897410 /nfs/dbraw/zinc/89/74/10/193897410.db2.gz CFVPXOAOBOJWJQ-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225548470 193978569 /nfs/dbraw/zinc/97/85/69/193978569.db2.gz HXIWYUYNIVQZNE-IHLOFXLRSA-N 0 0 591.703 7.072 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000409382508 195515145 /nfs/dbraw/zinc/51/51/45/195515145.db2.gz NXMKPHWUQNTWFZ-PXNMLYILSA-N 0 0 537.715 7.209 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1 ZINC000408851681 195490832 /nfs/dbraw/zinc/49/08/32/195490832.db2.gz MJGMAOBVUAFHCV-DEDRDRDXSA-N 0 0 596.753 5.127 40 10 KKCBRN Cc1c(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Br)cc1 ZINC000408852581 195493495 /nfs/dbraw/zinc/49/34/95/195493495.db2.gz UOCUGBRIAPPSER-DEDYPNTBSA-N 0 0 513.233 6.425 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)cc1 ZINC000409232553 195510346 /nfs/dbraw/zinc/51/03/46/195510346.db2.gz RAFIDFHXYCDSLL-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000000861925 551551535 /nfs/dbraw/zinc/55/15/35/551551535.db2.gz DRXSYHQQLLNQPW-UHFFFAOYSA-N 0 0 525.542 5.612 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cccc3ccccc32)cc1 ZINC000000887379 551559907 /nfs/dbraw/zinc/55/99/07/551559907.db2.gz XYDCBYKGJMXEFS-PMERELPUSA-N 0 0 579.730 5.454 40 10 KKCBRN Cc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1c(C)cccc1C ZINC000000920537 551574256 /nfs/dbraw/zinc/57/42/56/551574256.db2.gz ZNPLKDZLUGPSRD-UHFFFAOYSA-N 0 0 502.615 5.984 40 10 KKCBRN CC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000920570 551574266 /nfs/dbraw/zinc/57/42/66/551574266.db2.gz DRPADJNVZJHVKA-UHFFFAOYSA-N 0 0 545.640 5.634 40 10 KKCBRN Oc1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2nc1-c1cc(Br)ccc1O ZINC000001655677 551688081 /nfs/dbraw/zinc/68/80/81/551688081.db2.gz AKLCHWQEWHEXQO-UHFFFAOYSA-N 0 0 541.026 7.207 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S ZINC000001809938 551705433 /nfs/dbraw/zinc/70/54/33/551705433.db2.gz IOKLMWVPKXGVDU-ZTPSMGMTSA-N 0 0 512.436 5.344 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccccc3N(C(=O)c3cccc4ccccc43)C(C)(C)C2=S)S1 ZINC000001865894 551718036 /nfs/dbraw/zinc/71/80/36/551718036.db2.gz MCWNMUBQHKUEBI-MUGXBBEHSA-N 0 0 593.795 8.729 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002310628 551809017 /nfs/dbraw/zinc/80/90/17/551809017.db2.gz OLXPMRPAQYVFNY-LICLKQGHSA-N 0 0 519.397 6.632 40 10 KKCBRN CCOc1ccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(Br)ccc2O)cc1 ZINC000002747445 552174481 /nfs/dbraw/zinc/17/44/81/552174481.db2.gz GWAXKEVENAWTDM-OAQYLSRUSA-N 0 0 565.205 5.929 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000004179574 552446332 /nfs/dbraw/zinc/44/63/32/552446332.db2.gz XESVDMRVXFHPCN-DYXWJJEUSA-N 0 0 571.210 5.451 40 10 KKCBRN CCCCCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3=CC(=NNc4cccc(OC)c4)c4ccccc4C3=O)cc2)cc1 ZINC000004551935 552465897 /nfs/dbraw/zinc/46/58/97/552465897.db2.gz KRQIYWWECCEZCI-CDJCAARLSA-N 0 0 601.747 10.872 40 10 KKCBRN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004809437 552487508 /nfs/dbraw/zinc/48/75/08/552487508.db2.gz HAOMLZRDTRSVPD-UHFFFAOYSA-N 0 0 529.662 5.838 40 10 KKCBRN CC(=O)N(C)c1ccc(Nc2ccc(Nc3ccc(N(C)C(C)=O)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004830830 552488392 /nfs/dbraw/zinc/48/83/92/552488392.db2.gz AMLWVENUAKHJKU-UHFFFAOYSA-N 0 0 532.600 5.915 40 10 KKCBRN Nc1nc(-c2ccccc2/N=N/N2CCN(/N=N/c3ccccc3-c3nc(N)c4ccccc4n3)CC2)nc2ccccc12 ZINC000005010511 552491970 /nfs/dbraw/zinc/49/19/70/552491970.db2.gz OPRMDWGXNRGNIG-LMXNTIJMSA-N 0 0 580.660 6.387 40 10 KKCBRN Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000005810895 552509857 /nfs/dbraw/zinc/50/98/57/552509857.db2.gz OJMMMDVCYDKEKS-XAHDOWKMSA-N 0 0 534.019 8.263 40 10 KKCBRN CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000005941093 552513667 /nfs/dbraw/zinc/51/36/67/552513667.db2.gz CCBWYYKVKJXQCW-ZXJOANGESA-N 0 0 556.662 6.776 40 10 KKCBRN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncc(-c3ccccc3)n1Cc1ccco1)CCCC2 ZINC000006195101 552566818 /nfs/dbraw/zinc/56/68/18/552566818.db2.gz OSBVDJGFQNVEPH-UHFFFAOYSA-N 0 0 521.664 6.039 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(F)cc2)C[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000008653511 553108104 /nfs/dbraw/zinc/10/81/04/553108104.db2.gz KVXHCTRHRDGXCS-RUZDIDTESA-N 0 0 515.371 7.586 40 10 KKCBRN CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000008721951 553129624 /nfs/dbraw/zinc/12/96/24/553129624.db2.gz MOVJYNGHOWBOPF-XXAUWVGASA-N 0 0 501.966 6.248 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)c1 ZINC000008819176 553154037 /nfs/dbraw/zinc/15/40/37/553154037.db2.gz XWLSMCXEEYRJQU-GIJQJNRQSA-N 0 0 515.871 6.276 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000008819450 553154064 /nfs/dbraw/zinc/15/40/64/553154064.db2.gz KWZLDLUPXVXONA-UYRXBGFRSA-N 0 0 510.559 5.343 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000008819540 553154242 /nfs/dbraw/zinc/15/42/42/553154242.db2.gz GKABXXJHJWTTKT-WQRHYEAKSA-N 0 0 509.436 5.400 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc4ccccc43)C2=O)cc1OC ZINC000008819943 553154670 /nfs/dbraw/zinc/15/46/70/553154670.db2.gz YVUDAJMIBCGHNV-BWAHOGKJSA-N 0 0 520.676 6.257 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1OC ZINC000008819944 553154954 /nfs/dbraw/zinc/15/49/54/553154954.db2.gz WRHLZLZFASVOSK-UQQQWYQISA-N 0 0 520.676 6.257 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)c1 ZINC000008820523 553155635 /nfs/dbraw/zinc/15/56/35/553155635.db2.gz LGUOQBPKGUUFND-MKNZLWHHSA-N 0 0 519.717 6.219 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(OC)c1 ZINC000008821470 553155814 /nfs/dbraw/zinc/15/58/14/553155814.db2.gz IQIQSWTTWFCSBQ-UDWIEESQSA-N 0 0 502.411 6.132 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1 ZINC000008821464 553155862 /nfs/dbraw/zinc/15/58/62/553155862.db2.gz AGIFKMIKSWVPLY-KGENOOAVSA-N 0 0 500.439 6.162 40 10 KKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1 ZINC000009188832 553218265 /nfs/dbraw/zinc/21/82/65/553218265.db2.gz RRAYSOLYTYGGOW-USHMODERSA-N 0 0 509.652 7.772 40 10 KKCBRN Cc1ccc(COc2cccc(/C=C3\SC(N4CCN(c5cccc(Cl)c5)CC4)=NC3=O)c2)cc1 ZINC000009189249 553218313 /nfs/dbraw/zinc/21/83/13/553218313.db2.gz KTCVWIAHJCLIQY-ONUIUJJFSA-N 0 0 504.055 6.020 40 10 KKCBRN CCOc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)Nc1ccc(F)cc1 ZINC000009232223 553223510 /nfs/dbraw/zinc/22/35/10/553223510.db2.gz WVURWFXNYBPVLM-KOMLCTQHSA-N 0 0 502.589 5.216 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009233395 553224307 /nfs/dbraw/zinc/22/43/07/553224307.db2.gz XPXBDJVHJHKEFN-ODCIPOBUSA-N 0 0 509.817 7.430 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000009234525 553224930 /nfs/dbraw/zinc/22/49/30/553224930.db2.gz ICFUIOVJVIZUCB-WYMPLXKRSA-N 0 0 522.667 5.854 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000009294935 553235453 /nfs/dbraw/zinc/23/54/53/553235453.db2.gz BJNRYYKLWYRXCK-BUVRLJJBSA-N 0 0 506.605 5.974 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(OCC)c3)C2=N)S1 ZINC000009434419 553263722 /nfs/dbraw/zinc/26/37/22/553263722.db2.gz XEBLPVWWAHXKNQ-UKHUTJJTSA-N 0 0 506.628 5.661 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000009730580 553302120 /nfs/dbraw/zinc/30/21/20/553302120.db2.gz AQEVWALWMHBMNH-LKYSWNIESA-N 0 0 506.628 5.480 40 10 KKCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010113184 553328935 /nfs/dbraw/zinc/32/89/35/553328935.db2.gz SGLPPHSBLMCQEZ-UHFFFAOYSA-N 0 0 535.754 5.227 40 10 KKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010113659 553329292 /nfs/dbraw/zinc/32/92/92/553329292.db2.gz ZKONOJPAKLDROF-MUUNZHRXSA-N 0 0 506.071 5.644 40 10 KKCBRN CN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@]12CC(c1ccc(Br)cc1)=NO2 ZINC000012524062 553383154 /nfs/dbraw/zinc/38/31/54/553383154.db2.gz PEDGAFMFILNWNT-GDNZHBKUSA-N 0 0 520.387 7.021 40 10 KKCBRN CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025141 553435461 /nfs/dbraw/zinc/43/54/61/553435461.db2.gz WRUZDMMHKYDRDZ-NDEPHWFRSA-N 0 0 501.627 5.126 40 10 KKCBRN CCc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013668752 553481066 /nfs/dbraw/zinc/48/10/66/553481066.db2.gz RIUMIEFYSVYYAD-UHFFFAOYSA-N 0 0 505.684 5.059 40 10 KKCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000013880603 553493890 /nfs/dbraw/zinc/49/38/90/553493890.db2.gz CJKIEGHHHBYPLU-DICXZTSXSA-N 0 0 520.633 5.689 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)C ZINC000013914742 553495591 /nfs/dbraw/zinc/49/55/91/553495591.db2.gz AVZKNDWZSFSAQX-UHFFFAOYSA-N 0 0 526.633 5.532 40 10 KKCBRN O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000015011988 553525438 /nfs/dbraw/zinc/52/54/38/553525438.db2.gz JLKYJYCJYTWJIV-SYZQJQIISA-N 0 0 502.322 6.524 40 10 KKCBRN COC(=O)c1cc(NC(=O)C2=CC(=NNc3ccc(Cl)cc3)c3ccccc3C2=O)cc(C(=O)OC)c1 ZINC000016194016 553556304 /nfs/dbraw/zinc/55/63/04/553556304.db2.gz PLJHGCWQQYKDCE-NVQSTNCTSA-N 0 0 517.925 6.440 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1 ZINC000016678518 553571947 /nfs/dbraw/zinc/57/19/47/553571947.db2.gz VIXNKNJFNDMFAA-YDZHTSKRSA-N 0 0 519.399 5.287 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016678627 553571956 /nfs/dbraw/zinc/57/19/56/553571956.db2.gz WKJWRFAZBQJZAT-UHFFFAOYSA-N 0 0 519.583 5.385 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000016689085 553573450 /nfs/dbraw/zinc/57/34/50/553573450.db2.gz SQRZMQQBVCZVIH-MYYYXRDXSA-N 0 0 509.624 6.213 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000018275969 553611841 /nfs/dbraw/zinc/61/18/41/553611841.db2.gz JVIKEENCFNEITG-DSITVLBTSA-N 0 0 507.929 5.188 40 10 KKCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000020288691 553633441 /nfs/dbraw/zinc/63/34/41/553633441.db2.gz AYZDZJIJNARGNZ-QLTSDVKISA-N 0 0 501.630 6.532 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020289189 553634273 /nfs/dbraw/zinc/63/42/73/553634273.db2.gz DPCNMNIRYJVJGV-IWIPYMOSSA-N 0 0 522.945 5.411 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020289184 553634355 /nfs/dbraw/zinc/63/43/55/553634355.db2.gz BVTJCSIFOZOJPD-XYGWBWBKSA-N 0 0 507.974 5.511 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000083293632 553676440 /nfs/dbraw/zinc/67/64/40/553676440.db2.gz ORBOALJOPPVYQL-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867516 553687890 /nfs/dbraw/zinc/68/78/90/553687890.db2.gz KBYILHOJMPSPJO-RTGYSMTDSA-N 0 0 678.954 11.182 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867520 553687927 /nfs/dbraw/zinc/68/79/27/553687927.db2.gz KBYILHOJMPSPJO-JMFGQAGASA-N 0 0 678.954 11.182 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000026593237 553819635 /nfs/dbraw/zinc/81/96/35/553819635.db2.gz PZXNZXOYQOXWGN-JWOXPMACSA-N 0 0 513.019 5.390 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000026641584 553819685 /nfs/dbraw/zinc/81/96/85/553819685.db2.gz WOIJHJWWTNXNLM-PPZHTYSISA-N 0 0 506.628 5.696 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000026641591 553819832 /nfs/dbraw/zinc/81/98/32/553819832.db2.gz WOIJHJWWTNXNLM-UPCXBELHSA-N 0 0 506.628 5.696 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000026712917 553820630 /nfs/dbraw/zinc/82/06/30/553820630.db2.gz LGWGLAFWHHNENX-XAUWAZNKSA-N 0 0 512.700 7.640 40 10 KKCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000028018187 553837484 /nfs/dbraw/zinc/83/74/84/553837484.db2.gz NVSNJPQWTWDYBD-CDJCAARLSA-N 0 0 694.788 6.085 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029491844 553845217 /nfs/dbraw/zinc/84/52/17/553845217.db2.gz MCJOCINLOZBLBP-VYEDMFTGSA-N 0 0 608.743 6.000 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000097959037 553860023 /nfs/dbraw/zinc/86/00/23/553860023.db2.gz AOYNMFRPRWWSQM-UYRXBGFRSA-N 0 0 524.458 5.145 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124996 553865997 /nfs/dbraw/zinc/86/59/97/553865997.db2.gz YTBKUQZELLEXKF-PCLIKHOPSA-N 0 0 514.653 7.613 40 10 KKCBRN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000097961880 553881339 /nfs/dbraw/zinc/88/13/39/553881339.db2.gz GUTBYKVFKMPZLP-PWDQIPGLSA-N 0 0 542.617 5.023 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000097964278 553896866 /nfs/dbraw/zinc/89/68/66/553896866.db2.gz NSTBSXURPAFWDU-ULJHMMPZSA-N 0 0 621.831 6.459 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C56CC7CC(CC(C7)C5)C6)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000097964327 553897200 /nfs/dbraw/zinc/89/72/00/553897200.db2.gz MOLFMPTZBNDBIR-TWZCPYDSSA-N 0 0 545.621 6.089 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc(Br)c1OCc1ccccc1C ZINC000097964513 553898923 /nfs/dbraw/zinc/89/89/23/553898923.db2.gz FBIXGPDIPFBWIU-UQJNUVEPSA-N 0 0 567.490 6.074 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000097964620 553899572 /nfs/dbraw/zinc/89/95/72/553899572.db2.gz XCYFYSRNQOANBK-NMESBGBPSA-N 0 0 526.387 5.064 40 10 KKCBRN Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964801 553900959 /nfs/dbraw/zinc/90/09/59/553900959.db2.gz LCKCRKWRJCYHIT-NFIDDJMPSA-N 0 0 534.645 5.790 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000097964807 553901025 /nfs/dbraw/zinc/90/10/25/553901025.db2.gz DEPTYKCILLFAGQ-AQFRBSOJSA-N 0 0 533.613 5.880 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000097964912 553901559 /nfs/dbraw/zinc/90/15/59/553901559.db2.gz OHLLGIGMPBGGMV-YIGXYTLDSA-N 0 0 553.065 5.925 40 10 KKCBRN Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1 ZINC000097964927 553901945 /nfs/dbraw/zinc/90/19/45/553901945.db2.gz YTAFDHCYGYBUKG-REPNPYAISA-N 0 0 577.710 6.734 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000097964995 553902197 /nfs/dbraw/zinc/90/21/97/553902197.db2.gz IPUJBPAKHODUPJ-IADYIPOJSA-N 0 0 547.742 7.505 40 10 KKCBRN Cc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000033658695 553966467 /nfs/dbraw/zinc/96/64/67/553966467.db2.gz SLKFQGLYWSMZOO-HGNJXLJLSA-N 0 0 506.591 5.091 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000097972372 553966872 /nfs/dbraw/zinc/96/68/72/553966872.db2.gz DCGOCNUUHHYXJM-QZLAVKMBSA-N 0 0 718.673 7.267 40 10 KKCBRN COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000097972362 553966921 /nfs/dbraw/zinc/96/69/21/553966921.db2.gz QXXNTXCFVXUYOD-JWGURIENSA-N 0 0 533.436 6.904 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983225 554007883 /nfs/dbraw/zinc/00/78/83/554007883.db2.gz BADOSCREKVTTDG-KPSZXBPMSA-N 0 0 557.536 7.018 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1ccccc1 ZINC000100054581 554195692 /nfs/dbraw/zinc/19/56/92/554195692.db2.gz AYSNQPFDWKBLCI-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000100085009 554208420 /nfs/dbraw/zinc/20/84/20/554208420.db2.gz LMUCYLGFZMVOJZ-UHFFFAOYSA-N 0 0 546.520 5.880 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000100138879 554227305 /nfs/dbraw/zinc/22/73/05/554227305.db2.gz WRUDNFKJIOFLJL-TZHWMEPESA-N 0 0 575.734 6.652 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000037171018 554230783 /nfs/dbraw/zinc/23/07/83/554230783.db2.gz KIBJDURPFNULMJ-VHSZZVNMSA-N 0 0 524.886 8.133 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100157550 554233166 /nfs/dbraw/zinc/23/31/66/554233166.db2.gz ADDCJVMJQJXQLR-IBWSJITASA-N 0 0 518.352 5.029 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000100181227 554241643 /nfs/dbraw/zinc/24/16/43/554241643.db2.gz KSVWFGHAQSZYFO-LICLKQGHSA-N 0 0 545.293 6.541 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100216186 554250727 /nfs/dbraw/zinc/25/07/27/554250727.db2.gz HQLBIMACKDURNZ-DJTCXORXSA-N 0 0 584.500 5.652 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)c(Br)c1O ZINC000100229956 554255260 /nfs/dbraw/zinc/25/52/60/554255260.db2.gz QOJCLROXDHVINP-RIYZIHGNSA-N 0 0 559.052 5.885 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCC ZINC000100229912 554255300 /nfs/dbraw/zinc/25/53/00/554255300.db2.gz UEZMXAOIXKJAOW-KOEQRZSOSA-N 0 0 599.481 7.292 40 10 KKCBRN CC(C)(C)c1ccc(Oc2c([N-]S(C)(=O)=O)c3c(c(O)c2N2CCCCC2)C(=O)c2ccccc2C3=O)cc1 ZINC000100236521 554258595 /nfs/dbraw/zinc/25/85/95/554258595.db2.gz WOVMCJJDYVPBKO-UHFFFAOYSA-N 0 0 548.661 5.619 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000100264767 554266678 /nfs/dbraw/zinc/26/66/78/554266678.db2.gz CUZHTUNQLHWANL-OVCLIPMQSA-N 0 0 517.239 5.761 40 10 KKCBRN COc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000100266854 554267225 /nfs/dbraw/zinc/26/72/25/554267225.db2.gz IUXXJHFTPONCLK-IEBGATMSSA-N 0 0 551.628 5.427 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000100267129 554267449 /nfs/dbraw/zinc/26/74/49/554267449.db2.gz ULQXJQUPYCSYEN-YFIZFCHVSA-N 0 0 557.470 5.643 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100267165 554267467 /nfs/dbraw/zinc/26/74/67/554267467.db2.gz SPPWTYAPXWSTHC-DRTPBTBNSA-N 0 0 599.551 6.632 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100267061 554267481 /nfs/dbraw/zinc/26/74/81/554267481.db2.gz QBUXSCRSQWLXAQ-ORAWNNOXSA-N 0 0 541.073 6.349 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000100268432 554268135 /nfs/dbraw/zinc/26/81/35/554268135.db2.gz DELQHDPHXBWWFR-BJCLYQDPSA-N 0 0 560.598 6.238 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100268413 554268152 /nfs/dbraw/zinc/26/81/52/554268152.db2.gz JDMOUBPQMOMMLV-MNOWLXIESA-N 0 0 546.571 5.848 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000039556249 554279571 /nfs/dbraw/zinc/27/95/71/554279571.db2.gz XPXYJMXHUIUGSS-MFKUBSTISA-N 0 0 512.997 5.491 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000040007092 554282195 /nfs/dbraw/zinc/28/21/95/554282195.db2.gz YAHCHGYNWDSXLU-XHPQRKPJSA-N 0 0 509.005 7.152 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033078 554282395 /nfs/dbraw/zinc/28/23/95/554282395.db2.gz JTJMKOWQSVXEAH-ZJZHBOIVSA-N 0 0 521.686 5.174 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041076262 554292032 /nfs/dbraw/zinc/29/20/32/554292032.db2.gz IMINSUJMBFVWID-YJFMCDHMSA-N 0 0 501.524 5.115 40 10 KKCBRN N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000041076324 554292063 /nfs/dbraw/zinc/29/20/63/554292063.db2.gz FCESSAOOMJERIG-NPEDXFRYSA-N 0 0 500.584 5.221 40 10 KKCBRN COc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)cc1OC ZINC000100305151 554293297 /nfs/dbraw/zinc/29/32/97/554293297.db2.gz UUVKQMQEXZUQML-STZFKDTASA-N 0 0 546.446 6.424 40 10 KKCBRN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c3ccccc32)cc1C ZINC000041084940 554294444 /nfs/dbraw/zinc/29/44/44/554294444.db2.gz KXNIYEAVRRFDKU-LGZALBNISA-N 0 0 526.666 5.400 40 10 KKCBRN COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O ZINC000041108304 554295099 /nfs/dbraw/zinc/29/50/99/554295099.db2.gz ZUBOWMYFVKMEQW-ITFAFNGDSA-N 0 0 505.987 5.146 40 10 KKCBRN N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000041108459 554295156 /nfs/dbraw/zinc/29/51/56/554295156.db2.gz HPOFRKLNQNGXET-NEVNILGMSA-N 0 0 512.682 6.093 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1F ZINC000100311946 554301261 /nfs/dbraw/zinc/30/12/61/554301261.db2.gz UTTHQBUXFBSKIL-WSDLNYQXSA-N 0 0 519.541 6.838 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCc1ccc(Cl)cc1 ZINC000100312784 554301521 /nfs/dbraw/zinc/30/15/21/554301521.db2.gz OEGMVIVGKHMASP-WSDLNYQXSA-N 0 0 535.996 7.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100323384 554307161 /nfs/dbraw/zinc/30/71/61/554307161.db2.gz XNRJNXIDNMDZBU-BKUYFWCQSA-N 0 0 546.895 7.096 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cnc3ccccc3c2)cc1 ZINC000100329742 554311859 /nfs/dbraw/zinc/31/18/59/554311859.db2.gz MLNIHXZHPHKVCV-WJOKGBTCSA-N 0 0 609.134 5.441 40 10 KKCBRN CC(=O)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000100332831 554315434 /nfs/dbraw/zinc/31/54/34/554315434.db2.gz HCKSZBGIFRFRII-XIFFEERXSA-N 0 0 550.703 6.202 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000100333344 554315811 /nfs/dbraw/zinc/31/58/11/554315811.db2.gz KXIWIAGAHDAEFN-CFRMEGHHSA-N 0 0 537.866 7.904 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000100339893 554324602 /nfs/dbraw/zinc/32/46/02/554324602.db2.gz HBEYHBYFXPPPIU-MTJSOVHGSA-N 0 0 576.508 6.907 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1c(Br)cc(Br)cc1Br ZINC000049757325 554325195 /nfs/dbraw/zinc/32/51/95/554325195.db2.gz SORNSTKZKQJTIW-LCYFTJDESA-N 0 0 530.083 6.493 40 10 KKCBRN COc1cc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc(OC)c1OC ZINC000051090831 554328860 /nfs/dbraw/zinc/32/88/60/554328860.db2.gz UTXKAEJVXOAKIN-BUVRLJJBSA-N 0 0 559.578 5.292 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 ZINC000100380891 554363036 /nfs/dbraw/zinc/36/30/36/554363036.db2.gz AMHZSEAJTBWZLP-UHFFFAOYSA-N 0 0 550.684 7.047 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000100381142 554363066 /nfs/dbraw/zinc/36/30/66/554363066.db2.gz RYBWQQCBRBCWMK-UHFFFAOYSA-N 0 0 523.456 6.230 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000058822251 554365312 /nfs/dbraw/zinc/36/53/12/554365312.db2.gz YALHGGZDKUZNHO-NDENLUEZSA-N 0 0 511.803 6.496 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058846440 554365975 /nfs/dbraw/zinc/36/59/75/554365975.db2.gz PBRCUNRKCWKZDX-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846868 554366398 /nfs/dbraw/zinc/36/63/98/554366398.db2.gz XNOYPFXNVGWXKT-SXDGJLEOSA-N 0 0 519.623 6.354 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058846857 554366372 /nfs/dbraw/zinc/36/63/72/554366372.db2.gz MQJIIHLQFGZSRI-XXAUWVGASA-N 0 0 512.597 7.456 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847315 554366675 /nfs/dbraw/zinc/36/66/75/554366675.db2.gz IQIQKNJZIAQLAA-SRGWNRLKSA-N 0 0 504.961 6.986 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847404 554366842 /nfs/dbraw/zinc/36/68/42/554366842.db2.gz KQIUEKREZXIUOH-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847612 554367040 /nfs/dbraw/zinc/36/70/40/554367040.db2.gz PGUOHFFJEOEXLF-SXDGJLEOSA-N 0 0 525.070 6.765 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847715 554367079 /nfs/dbraw/zinc/36/70/79/554367079.db2.gz NSEGTPHZJVMFGX-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848317 554367728 /nfs/dbraw/zinc/36/77/28/554367728.db2.gz NROBRSMDTCGYCZ-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058848408 554368095 /nfs/dbraw/zinc/36/80/95/554368095.db2.gz QFQRTYBSNLBVPU-WZOHSFFVSA-N 0 0 514.525 6.061 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)cc1 ZINC000058848621 554368117 /nfs/dbraw/zinc/36/81/17/554368117.db2.gz GXURTUCAFYQWPQ-JWZKTCGFSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848996 554368422 /nfs/dbraw/zinc/36/84/22/554368422.db2.gz DOXWZKTYLSLBTR-ATLLOTDBSA-N 0 0 500.542 6.341 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058849165 554368749 /nfs/dbraw/zinc/36/87/49/554368749.db2.gz OUHPYYBQYJMLAR-ANSQWYIGSA-N 0 0 514.569 6.731 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849272 554368859 /nfs/dbraw/zinc/36/88/59/554368859.db2.gz KFVKZMLWRJUYOC-SXDGJLEOSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1OC ZINC000058849570 554369071 /nfs/dbraw/zinc/36/90/71/554369071.db2.gz FTGSWJLHYZPTTB-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1OC ZINC000058849579 554369088 /nfs/dbraw/zinc/36/90/88/554369088.db2.gz KJGNCHRLJBIFOZ-CTVOUCONSA-N 0 0 520.651 6.118 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849777 554369474 /nfs/dbraw/zinc/36/94/74/554369474.db2.gz PUYZTZHXABEJAM-GTNJKRJXSA-N 0 0 506.624 5.648 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058850095 554369796 /nfs/dbraw/zinc/36/97/96/554369796.db2.gz RWYCRWLZKAFIBT-CTWZREHQSA-N 0 0 512.631 6.484 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1OC ZINC000058850321 554369858 /nfs/dbraw/zinc/36/98/58/554369858.db2.gz HZUVBYCQBNVIHD-DFXHWTJYSA-N 0 0 515.006 6.124 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850123 554369865 /nfs/dbraw/zinc/36/98/65/554369865.db2.gz DLONJMWMJWRAAW-SWFBWHSRSA-N 0 0 508.687 7.765 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1ccccc1F ZINC000058865827 554370516 /nfs/dbraw/zinc/37/05/16/554370516.db2.gz BOVCUVYMJHXKHP-UHFFFAOYSA-N 0 0 505.336 5.320 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000100415179 554380840 /nfs/dbraw/zinc/38/08/40/554380840.db2.gz ZXCZMUHFXHRGHX-KEBDBYFISA-N 0 0 597.300 7.475 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000100415624 554381810 /nfs/dbraw/zinc/38/18/10/554381810.db2.gz WTVXAUUZHDFMAO-FSSWDIPSSA-N 0 0 540.786 5.650 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000059138994 554382795 /nfs/dbraw/zinc/38/27/95/554382795.db2.gz DPAQXJMCBWMTQE-TWKHWXDSSA-N 0 0 517.629 7.109 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000059139024 554382902 /nfs/dbraw/zinc/38/29/02/554382902.db2.gz VFDXIZATBKUGHV-DFKUXCBWSA-N 0 0 531.656 7.329 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1 ZINC000059418168 554393774 /nfs/dbraw/zinc/39/37/74/554393774.db2.gz LBGHUENXVADWMR-LPYMAVHISA-N 0 0 514.441 6.569 40 10 KKCBRN O=C1NC(=S)S/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000059418007 554393868 /nfs/dbraw/zinc/39/38/68/554393868.db2.gz XSDULWWWXWRRDY-VGOFMYFVSA-N 0 0 503.212 5.419 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1 ZINC000059418068 554393891 /nfs/dbraw/zinc/39/38/91/554393891.db2.gz QDCCMROPPKBGNG-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000059608955 554411864 /nfs/dbraw/zinc/41/18/64/554411864.db2.gz QFUZUBKHLBAYBZ-KSEXSDGBSA-N 0 0 595.367 7.745 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000059608943 554411896 /nfs/dbraw/zinc/41/18/96/554411896.db2.gz OWCRSCSMXKVFFT-QRVIBDJDSA-N 0 0 544.467 6.577 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059608963 554411901 /nfs/dbraw/zinc/41/19/01/554411901.db2.gz LAYKVBXLXBRHQR-QFEZKATASA-N 0 0 560.524 7.381 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCOCC3)=NC2=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000100662128 554439351 /nfs/dbraw/zinc/43/93/51/554439351.db2.gz QDEQTZKFPVYXAU-XZHPPNQVSA-N 0 0 557.115 6.986 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(I)c1 ZINC000100856928 554493638 /nfs/dbraw/zinc/49/36/38/554493638.db2.gz SNLNVCLAFBMDIU-GHRIWEEISA-N 0 0 542.489 5.753 40 10 KKCBRN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C3Nc4cccc5cccc(c54)N3)cc2OC)c([N+](=O)[O-])c1 ZINC000100894183 554513483 /nfs/dbraw/zinc/51/34/83/554513483.db2.gz MAWBYURAJPYNPT-UHFFFAOYSA-N 0 0 548.621 6.116 40 10 KKCBRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cnnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000067665100 554533270 /nfs/dbraw/zinc/53/32/70/554533270.db2.gz VRJGLVXBWFZNCZ-DFMJLFEVSA-N 0 0 705.647 5.577 40 10 in-vitro KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000100947924 554536515 /nfs/dbraw/zinc/53/65/15/554536515.db2.gz NEEHTNUKRAKUDM-ZRYJBNJPSA-N 0 0 577.681 5.482 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000101000334 554552195 /nfs/dbraw/zinc/55/21/95/554552195.db2.gz VJPAUCDDGKGXHY-ULJHMMPZSA-N 0 0 551.759 6.451 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(I)c1 ZINC000101002087 554552599 /nfs/dbraw/zinc/55/25/99/554552599.db2.gz KTJMRTLOMSEONJ-YBEGLDIGSA-N 0 0 573.275 5.284 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4cccc(Br)c4)SC3=S)s2)c1 ZINC000101002180 554552669 /nfs/dbraw/zinc/55/26/69/554552669.db2.gz AQFZEZJDVJNJIU-MOSHPQCFSA-N 0 0 558.548 6.035 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101002188 554552686 /nfs/dbraw/zinc/55/26/86/554552686.db2.gz IUTYBXXDFRNIFW-UNOMPAQXSA-N 0 0 578.966 6.380 40 10 KKCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(C)cc4)C3=O)SC2=S)cc1 ZINC000101002453 554552940 /nfs/dbraw/zinc/55/29/40/554552940.db2.gz QSSKZKDBSMZYHW-WCWDXBQESA-N 0 0 612.824 5.373 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1OC ZINC000101003479 554553351 /nfs/dbraw/zinc/55/33/51/554553351.db2.gz NQEAJMGQSLQAOD-OYKKKHCWSA-N 0 0 569.129 6.778 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1OC ZINC000101005441 554553736 /nfs/dbraw/zinc/55/37/36/554553736.db2.gz XRSGHROHMNUPQF-JMIUGGIZSA-N 0 0 546.095 5.244 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1OC ZINC000101005677 554553746 /nfs/dbraw/zinc/55/37/46/554553746.db2.gz CLKYHIWYUIJUBN-XKZIYDEJSA-N 0 0 574.149 6.025 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)C1=O ZINC000101005254 554553758 /nfs/dbraw/zinc/55/37/58/554553758.db2.gz OWWFDARIQWZYNX-MOSHPQCFSA-N 0 0 563.648 5.991 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000101005858 554553979 /nfs/dbraw/zinc/55/39/79/554553979.db2.gz GQEPXQPACDVGKG-NVMNQCDNSA-N 0 0 543.881 6.054 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101006190 554554220 /nfs/dbraw/zinc/55/42/20/554554220.db2.gz ZOUOGRKHRXPHOD-MTJSOVHGSA-N 0 0 591.658 6.102 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101006712 554554320 /nfs/dbraw/zinc/55/43/20/554554320.db2.gz MZFYXWQTCREQLZ-KQWNVCNZSA-N 0 0 572.177 6.796 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)cc1OC ZINC000101006809 554554354 /nfs/dbraw/zinc/55/43/54/554554354.db2.gz VFCPOSUKXFDEOI-STZFKDTASA-N 0 0 549.512 5.867 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000101006796 554554385 /nfs/dbraw/zinc/55/43/85/554554385.db2.gz AUPPUIYRCMEEFA-BKUYFWCQSA-N 0 0 539.506 6.411 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1OC ZINC000101006861 554554584 /nfs/dbraw/zinc/55/45/84/554554584.db2.gz MOIKJNDPQAWEPN-RGEXLXHISA-N 0 0 534.729 5.154 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000101007111 554554995 /nfs/dbraw/zinc/55/49/95/554554995.db2.gz NTUYIGXGXQJEKJ-MOSHPQCFSA-N 0 0 537.490 6.180 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000101007109 554554997 /nfs/dbraw/zinc/55/49/97/554554997.db2.gz BVKNFQXHWHMEGE-RGEXLXHISA-N 0 0 537.490 6.180 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(Br)c1 ZINC000101007262 554555209 /nfs/dbraw/zinc/55/52/09/554555209.db2.gz CSBUPCBKPMLUNR-UYRXBGFRSA-N 0 0 523.905 6.503 40 10 KKCBRN Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000101007308 554555223 /nfs/dbraw/zinc/55/52/23/554555223.db2.gz BVRLTBYKKUXLGN-XLNRJJMWSA-N 0 0 555.125 5.538 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(I)c1 ZINC000101007694 554555666 /nfs/dbraw/zinc/55/56/66/554555666.db2.gz HDXLCASSGDOERT-LWZSUBOQSA-N 0 0 534.444 5.468 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000101007799 554555881 /nfs/dbraw/zinc/55/58/81/554555881.db2.gz SXGZLULYRCFFSL-XPAFPMRLSA-N 0 0 554.759 6.370 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000101007881 554555889 /nfs/dbraw/zinc/55/58/89/554555889.db2.gz RHRPIFFMUSEQBC-SDEVTQOVSA-N 0 0 526.705 5.590 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101008178 554556360 /nfs/dbraw/zinc/55/63/60/554556360.db2.gz JIEKSYZUKHJECJ-QGOAFFKASA-N 0 0 522.433 5.220 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1OC ZINC000101011535 554558042 /nfs/dbraw/zinc/55/80/42/554558042.db2.gz VHULDJSAFBYAMA-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1OC ZINC000101011394 554558086 /nfs/dbraw/zinc/55/80/86/554558086.db2.gz FSQVRJOYNFXQHE-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccccc3Br)C2=O)SC(=S)N1c1ccccc1Br ZINC000101016915 554560594 /nfs/dbraw/zinc/56/05/94/554560594.db2.gz QVSZBWLEFMQBFI-BUHFOSPRSA-N 0 0 572.350 5.853 40 10 KKCBRN CC(C)COC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCC(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101016978 554560695 /nfs/dbraw/zinc/56/06/95/554560695.db2.gz RHZZUFMUHZLBKH-QURGRASLSA-N 0 0 614.792 5.953 40 10 KKCBRN CC(C)OC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OC(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101017047 554560812 /nfs/dbraw/zinc/56/08/12/554560812.db2.gz OCRGRYMXWOITRK-WCWDXBQESA-N 0 0 614.792 5.316 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000101099875 554586641 /nfs/dbraw/zinc/58/66/41/554586641.db2.gz HBJJVHOPUKMQDR-WYMPLXKRSA-N 0 0 546.497 6.991 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101142637 554654291 /nfs/dbraw/zinc/65/42/91/554654291.db2.gz LVDRHBHYPYSKBQ-SFHLNBCPSA-N 0 0 571.210 5.451 40 10 KKCBRN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000101149217 554657032 /nfs/dbraw/zinc/65/70/32/554657032.db2.gz JDGZQZJLWPYVSR-LHLOQNFPSA-N 0 0 591.696 7.770 40 10 KKCBRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)SC2=Cc2ccc(N(C)C)cc2)cc1 ZINC000101262606 554697416 /nfs/dbraw/zinc/69/74/16/554697416.db2.gz SBHODPDIHUHFQP-HMIUAYQISA-O 0 0 533.677 6.672 40 10 KKCBRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)SC2=Cc2ccc(N(C)C)cc2)cc1 ZINC000101262605 554697422 /nfs/dbraw/zinc/69/74/22/554697422.db2.gz SBHODPDIHUHFQP-MNRBYUMSSA-O 0 0 533.677 6.672 40 10 KKCBRN CCN(CC)c1ccc([C@H]2C=C(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)N(c3ccccc3)N2)cc1 ZINC000101461921 554778703 /nfs/dbraw/zinc/77/87/03/554778703.db2.gz OPZGMIUIFBAXEI-JGCGQSQUSA-N 0 0 561.689 7.545 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccccc2F)[C@@H]1C(=O)c1ccccc1 ZINC000101598166 554803676 /nfs/dbraw/zinc/80/36/76/554803676.db2.gz PUPCOLTZMGEGFH-QPWMFTQFSA-N 0 0 557.577 6.067 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000101649373 554816259 /nfs/dbraw/zinc/81/62/59/554816259.db2.gz BRANUHQJXLQIJX-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S)c1ccccc1 ZINC000101743756 554834281 /nfs/dbraw/zinc/83/42/81/554834281.db2.gz AOYRVGDVVJXZLK-FYJGNVAPSA-N 0 0 559.894 6.228 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OCC)c3)SC2=S)cc1 ZINC000102445760 554930525 /nfs/dbraw/zinc/93/05/25/554930525.db2.gz VWWHKHGESUJJOU-IWIPYMOSSA-N 0 0 550.614 6.017 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000102469450 554936167 /nfs/dbraw/zinc/93/61/67/554936167.db2.gz UZCVEWMFUXLPDZ-OVJDQBQJSA-N 0 0 574.456 6.371 40 10 KKCBRN N=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000102470514 554936314 /nfs/dbraw/zinc/93/63/14/554936314.db2.gz ZVDSYQTZVKKOHQ-ORPSTSFDSA-N 0 0 538.467 5.468 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000102470059 554936392 /nfs/dbraw/zinc/93/63/92/554936392.db2.gz FKBWEULHOCPCAQ-NRIUBIMQSA-N 0 0 597.413 5.714 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000102472632 554936555 /nfs/dbraw/zinc/93/65/55/554936555.db2.gz VRNAVYQYLMPTQR-UQJNUVEPSA-N 0 0 529.453 5.033 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102544320 554958479 /nfs/dbraw/zinc/95/84/79/554958479.db2.gz QRUFAXIIHOEYMN-PVHODMMVSA-N 0 0 551.639 5.761 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102550567 554961678 /nfs/dbraw/zinc/96/16/78/554961678.db2.gz HXKDIVHBNWKENG-AYQJTBPPSA-N 0 0 560.049 6.973 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102563240 554968792 /nfs/dbraw/zinc/96/87/92/554968792.db2.gz MWWZEEPKRJMQBE-CPCREDONSA-N 0 0 555.630 6.329 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC ZINC000102585998 554973280 /nfs/dbraw/zinc/97/32/80/554973280.db2.gz KPRPEQSNAAFZSI-FAJBNVMPSA-N 0 0 576.074 6.509 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102869532 555099160 /nfs/dbraw/zinc/09/91/60/555099160.db2.gz SECIOMRKCOQFBK-RTOKGZNSSA-N 0 0 574.076 7.363 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102870224 555100444 /nfs/dbraw/zinc/10/04/44/555100444.db2.gz DLRFSSBCWRIZHJ-PVHODMMVSA-N 0 0 570.483 6.506 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102888751 555122223 /nfs/dbraw/zinc/12/22/23/555122223.db2.gz MDCFYZITPJQDPW-RTOKGZNSSA-N 0 0 569.613 5.937 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102889917 555124473 /nfs/dbraw/zinc/12/44/73/555124473.db2.gz KRRHLOMGJVXHKI-NGDRWEMDSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102895992 555135537 /nfs/dbraw/zinc/13/55/37/555135537.db2.gz VUTKKSIWHNHNCC-XWHIBYANSA-N 0 0 589.619 6.168 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102896210 555135932 /nfs/dbraw/zinc/13/59/32/555135932.db2.gz FVETZJSMPUVHLC-AYQJTBPPSA-N 0 0 573.620 6.468 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896889 555137210 /nfs/dbraw/zinc/13/72/10/555137210.db2.gz QWBDAAGMRHXNNX-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN O=C(c1ccccc1Cl)[C@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102897026 555137282 /nfs/dbraw/zinc/13/72/82/555137282.db2.gz WOKIQPUVJPPJIL-MPFGFTFXSA-N 0 0 551.976 6.935 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=S)NC(=O)c2ccco2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102932547 555160254 /nfs/dbraw/zinc/16/02/54/555160254.db2.gz FJESGKLJVYHOOS-MFYCNUBPSA-N 0 0 527.694 5.723 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103524476 555427937 /nfs/dbraw/zinc/42/79/37/555427937.db2.gz OSFLPLNXNKVLGX-BESNRVDSSA-N 0 0 541.047 5.937 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103531457 555431887 /nfs/dbraw/zinc/43/18/87/555431887.db2.gz LFLSOOQUWDWKCC-RTOKGZNSSA-N 0 0 539.631 6.710 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103541129 555438393 /nfs/dbraw/zinc/43/83/93/555438393.db2.gz GJQQSPIARPGEMY-PKTNWEFCSA-N 0 0 582.077 6.735 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000103541680 555438707 /nfs/dbraw/zinc/43/87/07/555438707.db2.gz JKWJQEPLJUSXHM-FRXPANAUSA-N 0 0 540.575 6.220 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103546099 555440663 /nfs/dbraw/zinc/44/06/63/555440663.db2.gz ZSGISSXRUKFRKG-TWJOJJKGSA-N 0 0 541.003 6.297 40 10 KKCBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000103547913 555442031 /nfs/dbraw/zinc/44/20/31/555442031.db2.gz SZNRUMYDPKRDJJ-FCEKVYKBSA-N 0 0 576.996 5.809 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103550268 555443406 /nfs/dbraw/zinc/44/34/06/555443406.db2.gz HHSSFYBDZCTFJY-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103551787 555444117 /nfs/dbraw/zinc/44/41/17/555444117.db2.gz QKUVWIQDDCISFS-IDZRBWSNSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103557591 555446822 /nfs/dbraw/zinc/44/68/22/555446822.db2.gz LUTFNRKODUEOGA-NGDRWEMDSA-N 0 0 586.600 5.928 40 10 KKCBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000103558889 555447508 /nfs/dbraw/zinc/44/75/08/555447508.db2.gz DXQNGJOYHHKREW-MPFGFTFXSA-N 0 0 526.548 5.911 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103603115 555454348 /nfs/dbraw/zinc/45/43/48/555454348.db2.gz BTEVQFOVUCRENE-XSBGCYDXSA-N 0 0 521.942 5.574 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103750795 555467627 /nfs/dbraw/zinc/46/76/27/555467627.db2.gz SEAZJRLXZSCDKS-CRCYZHLCSA-N 0 0 624.532 5.116 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC ZINC000103759022 555470761 /nfs/dbraw/zinc/47/07/61/555470761.db2.gz IQPIGYWTZYLSGE-UHFFFAOYSA-N 0 0 549.421 6.057 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000103760348 555471139 /nfs/dbraw/zinc/47/11/39/555471139.db2.gz NJIGRQFPTUEPER-UHFFFAOYSA-N 0 0 551.462 5.919 40 10 KKCBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)C1 ZINC000103761619 555471618 /nfs/dbraw/zinc/47/16/18/555471618.db2.gz YCZVACUJNNWAES-HSZRJFAPSA-N 0 0 611.724 5.428 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103785137 555477269 /nfs/dbraw/zinc/47/72/69/555477269.db2.gz XQFPRHXQMVHWAO-LNXFQTKESA-N 0 0 568.045 5.137 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103789219 555479071 /nfs/dbraw/zinc/47/90/71/555479071.db2.gz BEGPQXTUEJHVBG-LWUPDDLQSA-N 0 0 600.062 5.710 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789771 555479347 /nfs/dbraw/zinc/47/93/47/555479347.db2.gz GIJZLCOXUAOZMP-USDTVRPUSA-N 0 0 584.698 5.237 40 10 KKCBRN O=c1c(=CC2=CC(=NNc3ccccc3)C=CC2=O)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103791248 555480835 /nfs/dbraw/zinc/48/08/35/555480835.db2.gz UZVXJSOZZUYKQK-MUYLHDIISA-N 0 0 558.638 6.579 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791230 555480874 /nfs/dbraw/zinc/48/08/74/555480874.db2.gz GGRCHEBIKLCQJD-LCQSEVKBSA-N 0 0 572.528 5.156 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000103854708 571365886 /nfs/dbraw/zinc/36/58/86/571365886.db2.gz VRPICIWTHVJIEE-SXBRIOAWSA-N 0 0 595.655 6.997 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000103854703 571365941 /nfs/dbraw/zinc/36/59/41/571365941.db2.gz VERPOKIQWUYHTC-ANYBSYGZSA-N 0 0 602.488 7.582 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000103853595 571365944 /nfs/dbraw/zinc/36/59/44/571365944.db2.gz XGAJINWLEULAIE-WKULSOCRSA-N 0 0 537.635 6.367 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855525 571365987 /nfs/dbraw/zinc/36/59/87/571365987.db2.gz JZNMXBOOYBCHCE-JJIBRWJFSA-N 0 0 527.374 6.601 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000103855321 571366001 /nfs/dbraw/zinc/36/60/01/571366001.db2.gz NXUULCGXASEBJK-OVVQPSECSA-N 0 0 568.471 7.057 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103855289 571366007 /nfs/dbraw/zinc/36/60/07/571366007.db2.gz QIALIUNGQGXPNR-PPOKSSTKSA-N 0 0 599.662 7.704 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000103857177 571366346 /nfs/dbraw/zinc/36/63/46/571366346.db2.gz MNQGVTFXVVXFNT-UHFFFAOYSA-N 0 0 586.451 5.021 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000103862746 571367678 /nfs/dbraw/zinc/36/76/78/571367678.db2.gz SMOOYKYWNYTUDT-ZRYJBNJPSA-N 0 0 594.136 5.997 40 10 KKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000103919017 571369590 /nfs/dbraw/zinc/36/95/90/571369590.db2.gz HFTCUGOXHKXTCD-UQQQWYQISA-N 0 0 503.027 7.631 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccc(OC)cc3)cc2)cc1 ZINC000103921500 571369830 /nfs/dbraw/zinc/36/98/30/571369830.db2.gz RQHCFDIVHAPFRL-BRPDVVIDSA-N 0 0 549.587 6.493 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(/N=N\c3ccccc3)C(=Nc3ccccc3S2)N1c1ccccn1 ZINC000104131969 571374621 /nfs/dbraw/zinc/37/46/21/571374621.db2.gz HAJTVDYXEIIDHM-MVJHLKBCSA-N 0 0 525.062 8.135 40 10 KKCBRN CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[nH]c1N=Nc1ccc(Br)cc1 ZINC000104182364 571376059 /nfs/dbraw/zinc/37/60/59/571376059.db2.gz SXIGKALKFGSRBE-LBXGSASVSA-N 0 0 519.201 6.444 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000104290127 571378421 /nfs/dbraw/zinc/37/84/21/571378421.db2.gz QDRBXJXNJOWHIG-KNWKATPGSA-N 0 0 550.018 7.964 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCN(C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)CC1 ZINC000104359404 571379450 /nfs/dbraw/zinc/37/94/50/571379450.db2.gz RHVYIYRXMHDUJX-FFROBNHHSA-N 0 0 532.608 7.899 40 10 KKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104645627 571381745 /nfs/dbraw/zinc/38/17/45/571381745.db2.gz ZLTCKLNSMATEIF-ANSQWYIGSA-N 0 0 539.451 6.114 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645543 571381784 /nfs/dbraw/zinc/38/17/84/571381784.db2.gz RBUJGHAIVLWLGF-UNVFRBQDSA-N 0 0 525.468 6.393 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104645691 571381812 /nfs/dbraw/zinc/38/18/12/571381812.db2.gz MCWAGTCYUBHINA-UZINWLIJSA-N 0 0 525.468 6.393 40 10 KKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104645631 571381834 /nfs/dbraw/zinc/38/18/34/571381834.db2.gz QVHIWFHYVGLPQY-NPLMNSEMSA-N 0 0 567.667 7.110 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104646240 571381885 /nfs/dbraw/zinc/38/18/85/571381885.db2.gz KSKMTLQOHVXVCA-PVTPYKNESA-N 0 0 557.513 7.743 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104646246 571381977 /nfs/dbraw/zinc/38/19/77/571381977.db2.gz QJZBSKIWUDLRFV-PVTPYKNESA-N 0 0 557.513 7.743 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104647120 571382046 /nfs/dbraw/zinc/38/20/46/571382046.db2.gz PMUFUXUGVASHSZ-GNBJCERTSA-N 0 0 531.461 6.638 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646982 571382091 /nfs/dbraw/zinc/38/20/91/571382091.db2.gz WTDNLKSVEBJUEC-FYQCMVGJSA-N 0 0 529.489 7.408 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646944 571382102 /nfs/dbraw/zinc/38/21/02/571382102.db2.gz VSDKEKCOJRMRDY-OSWQYVSFSA-N 0 0 529.445 6.407 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646790 571382108 /nfs/dbraw/zinc/38/21/08/571382108.db2.gz UNKSMQBZXIPOQG-GLDPYIMESA-N 0 0 516.406 6.529 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647537 571382224 /nfs/dbraw/zinc/38/22/24/571382224.db2.gz RMIQDDCAZCSCDT-ATLLOTDBSA-N 0 0 530.433 6.837 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647607 571382349 /nfs/dbraw/zinc/38/23/49/571382349.db2.gz QAQNQNQFPUTIJD-ZDXGUKGBSA-N 0 0 573.896 6.767 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1Cl ZINC000104647875 571382363 /nfs/dbraw/zinc/38/23/63/571382363.db2.gz OHMXFXLDKRDMHH-OSWQYVSFSA-N 0 0 519.881 7.583 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648016 571382365 /nfs/dbraw/zinc/38/23/65/571382365.db2.gz KLAKGKLUGFFFAQ-GLDPYIMESA-N 0 0 560.857 6.638 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648055 571382501 /nfs/dbraw/zinc/38/25/01/571382501.db2.gz OBWFKIIYMAJUAP-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648101 571382547 /nfs/dbraw/zinc/38/25/47/571382547.db2.gz ONXWFVCLVXPRDJ-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648745 571382621 /nfs/dbraw/zinc/38/26/21/571382621.db2.gz MOPKGGTUDUUIGM-YYULODDRSA-N 0 0 579.984 6.903 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648644 571382644 /nfs/dbraw/zinc/38/26/44/571382644.db2.gz AXDZKUVQMSASAM-LZCXECNNSA-N 0 0 549.014 7.385 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648637 571382650 /nfs/dbraw/zinc/38/26/50/571382650.db2.gz DDVLENSLDFXUHT-WZOHSFFVSA-N 0 0 534.987 6.995 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648435 571382658 /nfs/dbraw/zinc/38/26/58/571382658.db2.gz BOUJBRRRWBBCEJ-UZINWLIJSA-N 0 0 530.568 6.350 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104649309 571382839 /nfs/dbraw/zinc/38/28/39/571382839.db2.gz PRAZYRNRRFDBSK-HEHLMWRFSA-N 0 0 554.668 7.123 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c(OC)c1 ZINC000104649450 571382911 /nfs/dbraw/zinc/38/29/11/571382911.db2.gz ZPGYGPYUGTXNKC-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1OC ZINC000104649661 571382918 /nfs/dbraw/zinc/38/29/18/571382918.db2.gz AANNNWJUJVDDLE-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649356 571382985 /nfs/dbraw/zinc/38/29/85/571382985.db2.gz VCWNYAQPGPVQEI-AARCXHMLSA-N 0 0 552.696 7.893 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1OC ZINC000104649649 571383008 /nfs/dbraw/zinc/38/30/08/571383008.db2.gz CULXBLOQHVDICY-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000104650107 571383084 /nfs/dbraw/zinc/38/30/84/571383084.db2.gz DXOBFJKEQKSWTP-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104650221 571383175 /nfs/dbraw/zinc/38/31/75/571383175.db2.gz BMYCIBPKBYFBBE-VYKTZEHYSA-N 0 0 531.475 7.230 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650485 571383285 /nfs/dbraw/zinc/38/32/85/571383285.db2.gz XPLUSEDEQRJJPR-GLDPYIMESA-N 0 0 560.311 6.839 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650515 571383300 /nfs/dbraw/zinc/38/33/00/571383300.db2.gz LMQXAGJDLVGTQY-DXMSMQRWSA-N 0 0 557.396 7.779 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650408 571383302 /nfs/dbraw/zinc/38/33/02/571383302.db2.gz ZHAGWMRYFUNFOV-DXMSMQRWSA-N 0 0 550.305 7.383 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650506 571383314 /nfs/dbraw/zinc/38/33/14/571383314.db2.gz AFOCLDKCOOLXGE-RHGYRFJNSA-N 0 0 522.951 7.125 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000104650532 571383340 /nfs/dbraw/zinc/38/33/40/571383340.db2.gz VMHIMHCOLGBFCF-UZINWLIJSA-N 0 0 525.468 6.475 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000104655105 571383524 /nfs/dbraw/zinc/38/35/24/571383524.db2.gz VMHQAXRQCBOYED-UHFFFAOYSA-N 0 0 536.216 5.934 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655408 571383670 /nfs/dbraw/zinc/38/36/70/571383670.db2.gz ZVSXCELTOXTKQY-GSTVVXAASA-N 0 0 622.588 6.497 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000104656221 571383880 /nfs/dbraw/zinc/38/38/80/571383880.db2.gz GWQSMVNBOCPLRV-NBQDTTAVSA-N 0 0 610.552 6.628 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657316 571384316 /nfs/dbraw/zinc/38/43/16/571384316.db2.gz VCIUMYFOFQLRDQ-GSTVVXAASA-N 0 0 561.682 5.874 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc([N+](=O)[O-])cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658407 571384575 /nfs/dbraw/zinc/38/45/75/571384575.db2.gz MZVSJTCZRRZWQI-UDHMSBBDSA-N 0 0 618.715 5.652 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000104659652 571384857 /nfs/dbraw/zinc/38/48/57/571384857.db2.gz GCAABVMIQKUDEL-ASUJOLEISA-N 0 0 592.562 6.489 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000104660629 571384978 /nfs/dbraw/zinc/38/49/78/571384978.db2.gz ZALKAGZXJMDQEP-UHFFFAOYSA-N 0 0 556.634 6.198 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000104660411 571384986 /nfs/dbraw/zinc/38/49/86/571384986.db2.gz COCSKZCEVJSNDR-UHFFFAOYSA-N 0 0 568.467 7.718 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000104660277 571385002 /nfs/dbraw/zinc/38/50/02/571385002.db2.gz DSFRCCNQFOFVDH-UHFFFAOYSA-N 0 0 537.406 6.334 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497604 571405538 /nfs/dbraw/zinc/40/55/38/571405538.db2.gz JCHYWSIBTRKAPQ-IKHSWBDUSA-N 0 0 633.770 5.890 40 10 KKCBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000105501698 571406675 /nfs/dbraw/zinc/40/66/75/571406675.db2.gz JNSYCOCGTWJHNU-QUVXYLOISA-N 0 0 534.413 7.005 40 10 KKCBRN CCOc1cccc2c1N(C(=O)c1cccc(C)c1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000105630017 571407902 /nfs/dbraw/zinc/40/79/02/571407902.db2.gz YOBQKQPMNFSJNW-UHFFFAOYSA-N 0 0 569.726 5.909 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000222870986 571407970 /nfs/dbraw/zinc/40/79/70/571407970.db2.gz BGNWHXJQJRPVCV-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106686511 571413730 /nfs/dbraw/zinc/41/37/30/571413730.db2.gz SCXUWEBSDZJOLT-MYYYXRDXSA-N 0 0 552.494 5.930 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106690413 571413931 /nfs/dbraw/zinc/41/39/31/571413931.db2.gz FUYDSCMEAQDWPW-ZMFRSBBQSA-N 0 0 585.513 7.536 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 ZINC000106693001 571414037 /nfs/dbraw/zinc/41/40/37/571414037.db2.gz LPZOKWXCMAOAKU-XYGWBWBKSA-N 0 0 506.599 6.427 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106710246 571415097 /nfs/dbraw/zinc/41/50/97/571415097.db2.gz BRPPSZJCRIZALB-NHDPSOOVSA-N 0 0 500.407 6.076 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106716468 571415584 /nfs/dbraw/zinc/41/55/84/571415584.db2.gz SHDNNZRRDGMMDD-DICXZTSXSA-N 0 0 610.544 8.697 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000106724481 571416087 /nfs/dbraw/zinc/41/60/87/571416087.db2.gz XBOSSQXRMCFVLF-MTJSOVHGSA-N 0 0 501.833 6.747 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000222953510 571416806 /nfs/dbraw/zinc/41/68/06/571416806.db2.gz ICGMFIJXFYIQCF-UHFFFAOYSA-N 0 0 543.689 5.837 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000107635219 571420671 /nfs/dbraw/zinc/42/06/71/571420671.db2.gz VXUUGCPGIPAYIB-UHFFFAOYSA-N 0 0 569.480 6.776 40 10 KKCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000107688885 571420744 /nfs/dbraw/zinc/42/07/44/571420744.db2.gz XNOAFXYTGHEIKS-WEVVVXLNSA-N 0 0 502.354 5.532 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000107807133 571421299 /nfs/dbraw/zinc/42/12/99/571421299.db2.gz UOXJKSZVXHFJRC-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000107808646 571421312 /nfs/dbraw/zinc/42/13/12/571421312.db2.gz IEIIMZUMRZWVPW-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223097276 571430677 /nfs/dbraw/zinc/43/06/77/571430677.db2.gz SEYISCNGQYTYGC-UHFFFAOYSA-N 0 0 541.717 6.167 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Br)c1 ZINC000223097961 571430734 /nfs/dbraw/zinc/43/07/34/571430734.db2.gz MOPSHYSRVGVJNB-RPBOFIJWSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223098199 571430787 /nfs/dbraw/zinc/43/07/87/571430787.db2.gz QQIIJNAPDRSJSD-RPBOFIJWSA-N 0 0 509.517 6.557 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223104265 571431662 /nfs/dbraw/zinc/43/16/62/571431662.db2.gz PGCSAIAVHUVFLX-CLJLJLNGSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223104384 571431669 /nfs/dbraw/zinc/43/16/69/571431669.db2.gz PGCSAIAVHUVFLX-IZZNHLLZSA-N 0 0 505.644 5.711 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000111494442 571433376 /nfs/dbraw/zinc/43/33/76/571433376.db2.gz BNMMQKOWJGKDMO-ASZNLBCTSA-N 0 0 620.569 5.367 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000111671651 571433490 /nfs/dbraw/zinc/43/34/90/571433490.db2.gz LMMKNNBUFDLMAL-MFKUBSTISA-N 0 0 557.448 5.600 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113624455 571441273 /nfs/dbraw/zinc/44/12/73/571441273.db2.gz AHIXBZLHJXPANR-UHFFFAOYSA-N 0 0 555.700 5.157 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113830755 571442449 /nfs/dbraw/zinc/44/24/49/571442449.db2.gz ZLFXQWJENCFJSW-SRZZPIQSSA-N 0 0 545.411 6.481 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)c(Br)c1O ZINC000113831227 571442489 /nfs/dbraw/zinc/44/24/89/571442489.db2.gz HDQGGGOYZDABJR-NTUHNPAUSA-N 0 0 560.245 5.630 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113831923 571442554 /nfs/dbraw/zinc/44/25/54/571442554.db2.gz ZIISQIQZYOQUTM-SRZZPIQSSA-N 0 0 500.960 6.372 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC ZINC000113831270 571442563 /nfs/dbraw/zinc/44/25/63/571442563.db2.gz UEPSPPYGIJVVLP-GZTJUZNOSA-N 0 0 527.405 5.113 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1C1CCCCC1 ZINC000113833695 571442594 /nfs/dbraw/zinc/44/25/94/571442594.db2.gz MTRIVPQQJIRLAU-PCLIKHOPSA-N 0 0 538.532 7.715 40 10 KKCBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000113834925 571442706 /nfs/dbraw/zinc/44/27/06/571442706.db2.gz VMMVPLYAKVMMQW-UHFFFAOYSA-N 0 0 509.543 5.912 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1F ZINC000113835961 571442767 /nfs/dbraw/zinc/44/27/67/571442767.db2.gz BXOAVOAKMSMVCJ-FSJBWODESA-N 0 0 513.446 7.541 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000113834344 571442774 /nfs/dbraw/zinc/44/27/74/571442774.db2.gz PFCSIRHQJVWSFT-UHFFFAOYSA-N 0 0 534.637 6.331 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1 ZINC000113834915 571442776 /nfs/dbraw/zinc/44/27/76/571442776.db2.gz CPAPNKGDTYYVCC-ZVHZXABRSA-N 0 0 501.589 6.012 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189585 571442842 /nfs/dbraw/zinc/44/28/42/571442842.db2.gz LTQQOLCFKSCKIS-LMSSTIIKSA-N 0 0 517.743 5.109 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223251755 571450950 /nfs/dbraw/zinc/45/09/50/571450950.db2.gz GVPWKTBJJNJGMK-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000139070309 571452837 /nfs/dbraw/zinc/45/28/37/571452837.db2.gz VKKRYDBIOPOZQU-UHFFFAOYSA-N 0 0 531.008 6.885 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223312317 571459314 /nfs/dbraw/zinc/45/93/14/571459314.db2.gz HVOPPSOHSSWQET-DPSWKAHMSA-N 0 0 501.483 5.947 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000223327065 571461046 /nfs/dbraw/zinc/46/10/46/571461046.db2.gz QXAPTFFMWNYZLM-JLJGYXLTSA-N 0 0 517.626 5.181 40 10 KKCBRN CC(=O)c1ccc(N2N=C(C)C(=Cc3ccccc3OCOc3ccccc3C=C3C(=O)N(c4ccc(C(C)=O)cc4)N=C3C)C2=O)cc1 ZINC000150353579 571462806 /nfs/dbraw/zinc/46/28/06/571462806.db2.gz TZWXLPTWPVSZFJ-BSEYNIQASA-N 0 0 652.707 7.119 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000223346675 571463811 /nfs/dbraw/zinc/46/38/11/571463811.db2.gz XVZHWLATLWLQAP-DNQXCXABSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223352626 571464603 /nfs/dbraw/zinc/46/46/03/571464603.db2.gz IMMWYOBRFLKYDP-RPBOFIJWSA-N 0 0 503.584 5.172 40 10 KKCBRN Cc1[nH]n(-c2ccccc2)c(=S)c1C(=Nc1cc(Cl)c(Cl)cc1N=C(c1c(C)[nH]n(-c2ccccc2)c1=S)c1ccccc1)c1ccccc1 ZINC000150373576 571466107 /nfs/dbraw/zinc/46/61/07/571466107.db2.gz BYBWUMZUMODSGK-JXPYRENWSA-N 0 0 729.762 11.087 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223371616 571467075 /nfs/dbraw/zinc/46/70/75/571467075.db2.gz WQDFXCKKHFFNMA-XZWHSSHBSA-N 0 0 523.706 5.498 40 10 KKCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000150384161 571468111 /nfs/dbraw/zinc/46/81/11/571468111.db2.gz NVSNJPQWTWDYBD-NSJNLYRLSA-N 0 0 694.788 6.085 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Br ZINC000223385209 571469246 /nfs/dbraw/zinc/46/92/46/571469246.db2.gz XQWCODUXDOXHPJ-UIOOFZCWSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000223385290 571469280 /nfs/dbraw/zinc/46/92/80/571469280.db2.gz FFLLONFDMLJHDC-CLJLJLNGSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000223385687 571469349 /nfs/dbraw/zinc/46/93/49/571469349.db2.gz GGUSROQZGDSKSB-UIOOFZCWSA-N 0 0 517.496 6.424 40 10 KKCBRN O=C(Oc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)c1ccccc1I ZINC000150387371 571470015 /nfs/dbraw/zinc/47/00/15/571470015.db2.gz PQMFLIBDJFPVLD-RGVLZGJSSA-N 0 0 612.297 7.223 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000223390796 571470190 /nfs/dbraw/zinc/47/01/90/571470190.db2.gz AGGZESYOHZVUTL-SVBPBHIXSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223390467 571470196 /nfs/dbraw/zinc/47/01/96/571470196.db2.gz LZQLYROPTGOLMI-RRPNLBNLSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391388 571470284 /nfs/dbraw/zinc/47/02/84/571470284.db2.gz PXGAGHPZTXWXLH-KAYWLYCHSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391854 571470327 /nfs/dbraw/zinc/47/03/27/571470327.db2.gz ZSZHLKOQXNLAMT-SVBPBHIXSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223411609 571472831 /nfs/dbraw/zinc/47/28/31/571472831.db2.gz QIXYXNYDQJWNBJ-SXOMAYOGSA-N 0 0 519.114 6.548 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223424723 571474620 /nfs/dbraw/zinc/47/46/20/571474620.db2.gz QEMVUWAPBSVMJN-SVBPBHIXSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223426584 571474823 /nfs/dbraw/zinc/47/48/23/571474823.db2.gz LZNSAUNKDJYXHB-WUFINQPMSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223426783 571474914 /nfs/dbraw/zinc/47/49/14/571474914.db2.gz QPOCNPCCIUFCNQ-IZLXSDGUSA-N 0 0 543.649 5.587 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223428130 571475174 /nfs/dbraw/zinc/47/51/74/571475174.db2.gz MCXLUXOAAFMJSF-WUFINQPMSA-N 0 0 543.649 5.587 40 10 KKCBRN CCCCOC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150400785 571478005 /nfs/dbraw/zinc/47/80/05/571478005.db2.gz YOELTVTUWGVNDE-OCEACIFDSA-N 0 0 642.846 6.099 40 10 KKCBRN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405384 571479356 /nfs/dbraw/zinc/47/93/56/571479356.db2.gz IDWOJIMHTRKKLT-ZPGRZCPFSA-N 0 0 658.704 5.086 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224118559 571479546 /nfs/dbraw/zinc/47/95/46/571479546.db2.gz HOUFKIORZSIURR-PXOVULQYSA-N 0 0 655.312 7.639 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224118617 571479559 /nfs/dbraw/zinc/47/95/59/571479559.db2.gz HOUFKIORZSIURR-ZHCFPJTISA-N 0 0 655.312 7.639 40 10 KKCBRN Nc1ccc(Oc2ccc3nc(-c4ccc(-c5nc6cc(Oc7ccc(N)cc7)ccc6nc5-c5ccccc5)cc4)c(-c4ccccc4)nc3c2)cc1 ZINC000150407065 571480004 /nfs/dbraw/zinc/48/00/04/571480004.db2.gz REFBFVXCQLVAOZ-UHFFFAOYSA-N 0 0 700.802 10.990 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223464029 571480712 /nfs/dbraw/zinc/48/07/12/571480712.db2.gz KDCPTZBQZVZDSH-VMPREFPWSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223464428 571480783 /nfs/dbraw/zinc/48/07/83/571480783.db2.gz ISZAPAGVLJMJFW-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224126937 571481665 /nfs/dbraw/zinc/48/16/65/571481665.db2.gz PDZBXFLVLLLCGC-QWJOLSBWSA-N 0 0 620.266 8.955 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224130778 571482460 /nfs/dbraw/zinc/48/24/60/571482460.db2.gz DDOOICAEZZAWFZ-CKUCSLQLSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224130404 571482468 /nfs/dbraw/zinc/48/24/68/571482468.db2.gz IUKPIKVTZYFSDC-WTEHXLFCSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224130047 571482552 /nfs/dbraw/zinc/48/25/52/571482552.db2.gz NVTHBBPSQMGXMW-BAVULBIOSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224133402 571483162 /nfs/dbraw/zinc/48/31/62/571483162.db2.gz FLZBIWRDKRMRBN-WHCGLMPTSA-N 0 0 598.260 8.419 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224134807 571483424 /nfs/dbraw/zinc/48/34/24/571483424.db2.gz RMXHEKQADHXEJN-YWCASELZSA-N 0 0 645.229 7.719 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135565 571483651 /nfs/dbraw/zinc/48/36/51/571483651.db2.gz QNOQBPXVJLHJOI-YWCASELZSA-N 0 0 645.229 7.719 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135821 571483839 /nfs/dbraw/zinc/48/38/39/571483839.db2.gz WBCHKMNVQBLXRJ-QYDQVORMSA-N 0 0 612.287 8.673 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000224148199 571486361 /nfs/dbraw/zinc/48/63/61/571486361.db2.gz DKIWENXQQRHBJV-KVDDGJCQSA-N 0 0 586.205 7.502 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Br)cc1 ZINC000223497697 571487152 /nfs/dbraw/zinc/48/71/52/571487152.db2.gz RLJHCXYIVSAYND-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4cccc(C)c4C)C3=O)SC2=S)c1C ZINC000150421521 571487744 /nfs/dbraw/zinc/48/77/44/571487744.db2.gz ASTIXERIJQFVBC-QVIHXGFCSA-N 0 0 696.986 7.550 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223500637 571487776 /nfs/dbraw/zinc/48/77/76/571487776.db2.gz MQGXSSSZQGYHAS-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150421990 571487879 /nfs/dbraw/zinc/48/78/79/571487879.db2.gz ZGPZIVPSFPMKOF-STBIYBPSSA-N 0 0 777.442 9.621 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000150424790 571489350 /nfs/dbraw/zinc/48/93/50/571489350.db2.gz GFYANZVFAUITAZ-NDZAJKAJSA-N 0 0 695.997 9.125 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000150427957 571491979 /nfs/dbraw/zinc/49/19/79/571491979.db2.gz FHTPAUXVMRUJNU-SAGCDJCOSA-N 0 0 669.588 6.339 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc4ccccc43)C2=O)SC1=S)Nc1cccc2ccccc21 ZINC000150429227 571492605 /nfs/dbraw/zinc/49/26/05/571492605.db2.gz DIORAJZGZVSUMB-BYYHNAKLSA-N 0 0 656.836 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224201923 571495389 /nfs/dbraw/zinc/49/53/89/571495389.db2.gz DMALMLDAPCLXNU-FTJBHMTQSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224203921 571495936 /nfs/dbraw/zinc/49/59/36/571495936.db2.gz WBXAGYIIGZOPGQ-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224206069 571496411 /nfs/dbraw/zinc/49/64/11/571496411.db2.gz NRCFZNSMDKFPAC-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208581 571497049 /nfs/dbraw/zinc/49/70/49/571497049.db2.gz CZTTVXXPZUKZKK-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Br)c1 ZINC000223537059 571497165 /nfs/dbraw/zinc/49/71/65/571497165.db2.gz AUKOHSBOQBDIEU-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Br ZINC000223536758 571497188 /nfs/dbraw/zinc/49/71/88/571497188.db2.gz NKUKURMMWZLHLR-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Br ZINC000223536869 571497203 /nfs/dbraw/zinc/49/72/03/571497203.db2.gz NKUKURMMWZLHLR-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539546 571497942 /nfs/dbraw/zinc/49/79/42/571497942.db2.gz HFFXAPMZLFBBNN-URLMMPGGSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C4\SC(=S)N(CCC(=O)Nc5ncc(Cc6cccc(C)c6)s5)C4=O)SC3=S)s2)c1 ZINC000150444758 571499985 /nfs/dbraw/zinc/49/99/85/571499985.db2.gz KQASFBXSTWMGDP-BYYHNAKLSA-N 0 0 779.054 6.688 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000150445161 571500223 /nfs/dbraw/zinc/50/02/23/571500223.db2.gz JSKKEDBZQYYTDW-IBNIFWCESA-N 0 0 666.669 7.028 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150449583 571502002 /nfs/dbraw/zinc/50/20/02/571502002.db2.gz UEBOCPTUKSTLDJ-CHHVJCJISA-N 0 0 623.161 6.343 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224234115 571502938 /nfs/dbraw/zinc/50/29/38/571502938.db2.gz PSGGKOHUUDCCBZ-FTJBHMTQSA-N 0 0 506.597 6.993 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237961 571504088 /nfs/dbraw/zinc/50/40/88/571504088.db2.gz RIXCDTIQKCMKGN-KYJUHHDHSA-N 0 0 509.723 6.821 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000150469612 571508844 /nfs/dbraw/zinc/50/88/44/571508844.db2.gz FBTYPVGINFPLLH-QURGRASLSA-N 0 0 722.550 7.370 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000150469645 571508855 /nfs/dbraw/zinc/50/88/55/571508855.db2.gz WWYSKZUONNMYQU-QURGRASLSA-N 0 0 791.440 8.677 40 10 KKCBRN COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4cccc(OC)c4)C3=O)SC2=S)c1 ZINC000150469905 571509049 /nfs/dbraw/zinc/50/90/49/571509049.db2.gz UVPZFILYMPLZST-BYYHNAKLSA-N 0 0 700.930 6.334 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccnc3)C2=O)SC1=S)Nc1cccnc1 ZINC000150470121 571509159 /nfs/dbraw/zinc/50/91/59/571509159.db2.gz ZCAURFOAPQOKDS-WCWDXBQESA-N 0 0 642.854 5.107 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4nnc(CCCC)s4)C3=O)SC2=S)s1 ZINC000150470154 571509203 /nfs/dbraw/zinc/50/92/03/571509203.db2.gz LSQBTXGRIZZING-WCWDXBQESA-N 0 0 769.104 6.705 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000150470064 571509220 /nfs/dbraw/zinc/50/92/20/571509220.db2.gz PKHDSGWBJKFZAF-BYYHNAKLSA-N 0 0 728.896 5.774 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224268719 571510271 /nfs/dbraw/zinc/51/02/71/571510271.db2.gz QDNZUMTVZFGBPC-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224268663 571510305 /nfs/dbraw/zinc/51/03/05/571510305.db2.gz QDNZUMTVZFGBPC-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224270834 571510637 /nfs/dbraw/zinc/51/06/37/571510637.db2.gz HUHNRMHLPYKICF-SXOMAYOGSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224272606 571510986 /nfs/dbraw/zinc/51/09/86/571510986.db2.gz YXNLIEXJFANJOT-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273337 571511143 /nfs/dbraw/zinc/51/11/43/571511143.db2.gz ZWCSEOKFSNGFNO-NSOVKSMOSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273201 571511166 /nfs/dbraw/zinc/51/11/66/571511166.db2.gz ZWCSEOKFSNGFNO-VSGBNLITSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273439 571511339 /nfs/dbraw/zinc/51/13/39/571511339.db2.gz ONNREWXLTHAISN-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150481176 571512447 /nfs/dbraw/zinc/51/24/47/571512447.db2.gz HODDXDRXAXKBDN-RDRPBHBLSA-N 0 0 728.970 8.577 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224290349 571514457 /nfs/dbraw/zinc/51/44/57/571514457.db2.gz SGBSIPUQGQZNTA-RRPNLBNLSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223616266 571514650 /nfs/dbraw/zinc/51/46/50/571514650.db2.gz TUSMNISVHSOBDE-HUTJOEHLSA-N 0 0 526.102 6.824 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1C ZINC000223616820 571514672 /nfs/dbraw/zinc/51/46/72/571514672.db2.gz RLAOWEUNLRDURQ-IDEIYSCTSA-N 0 0 519.711 6.787 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Br)cc(Br)c4OC)ccc3o2)cc1 ZINC000150490961 571517176 /nfs/dbraw/zinc/51/71/76/571517176.db2.gz XFNLCQQUWURBOI-UHFFFAOYSA-N 0 0 632.378 7.001 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224304722 571517821 /nfs/dbraw/zinc/51/78/21/571517821.db2.gz UIMUHCBDJVYICI-RRPNLBNLSA-N 0 0 521.517 7.590 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224304487 571517835 /nfs/dbraw/zinc/51/78/35/571517835.db2.gz AKVDONFVFWBZCE-RRPNLBNLSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224306558 571518360 /nfs/dbraw/zinc/51/83/60/571518360.db2.gz KSKHSBJMRDYCED-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224306611 571518439 /nfs/dbraw/zinc/51/84/39/571518439.db2.gz KSKHSBJMRDYCED-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224306938 571518534 /nfs/dbraw/zinc/51/85/34/571518534.db2.gz RNJQEOXNQGASCD-IZLXSDGUSA-N 0 0 501.099 7.245 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000150570742 571521389 /nfs/dbraw/zinc/52/13/89/571521389.db2.gz KGPBBDGTRNMROS-ZPMAPHDVSA-N 0 0 677.739 5.998 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224321438 571521543 /nfs/dbraw/zinc/52/15/43/571521543.db2.gz CWYFRIXNHXFQIO-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000224325298 571522100 /nfs/dbraw/zinc/52/21/00/571522100.db2.gz WHPNLSQAGOMSMW-SXOMAYOGSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000224336304 571524713 /nfs/dbraw/zinc/52/47/13/571524713.db2.gz SUFGWEWEZXYUKW-SXOMAYOGSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000224338667 571525363 /nfs/dbraw/zinc/52/53/63/571525363.db2.gz AJPJLECVDPJLHF-SVBPBHIXSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000224340059 571525701 /nfs/dbraw/zinc/52/57/01/571525701.db2.gz HSPUGRGXFRWMTL-IZLXSDGUSA-N 0 0 501.099 7.190 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000224340636 571525862 /nfs/dbraw/zinc/52/58/62/571525862.db2.gz WDVVMDFLWFMBMF-IZLXSDGUSA-N 0 0 501.099 7.190 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662109 571527629 /nfs/dbraw/zinc/52/76/29/571527629.db2.gz XTMLICIYPNABCR-BOTWIBDZSA-N 0 0 713.399 11.836 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662100 571527690 /nfs/dbraw/zinc/52/76/90/571527690.db2.gz KBYILHOJMPSPJO-ZABIHZFVSA-N 0 0 678.954 11.182 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000224353447 571528575 /nfs/dbraw/zinc/52/85/75/571528575.db2.gz ZNNRKCXYTONFGQ-IZLXSDGUSA-N 0 0 510.663 6.015 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000224353640 571528648 /nfs/dbraw/zinc/52/86/48/571528648.db2.gz WYELEGQKSOJXLQ-IZLXSDGUSA-N 0 0 510.663 6.015 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000224353729 571528724 /nfs/dbraw/zinc/52/87/24/571528724.db2.gz WYELEGQKSOJXLQ-VSGBNLITSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224367926 571531349 /nfs/dbraw/zinc/53/13/49/571531349.db2.gz PTTMAIJFTLKMAA-NSOVKSMOSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224368445 571531420 /nfs/dbraw/zinc/53/14/20/571531420.db2.gz QNCLVQVNZUQRDR-IZLXSDGUSA-N 0 0 545.550 7.552 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370444 571531926 /nfs/dbraw/zinc/53/19/26/571531926.db2.gz ILNSABGQPKBIKI-AJQTZOPKSA-N 0 0 537.777 7.636 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224372638 571532410 /nfs/dbraw/zinc/53/24/10/571532410.db2.gz LNZCIRLMQLMSBS-WDYNHAJCSA-N 0 0 515.126 7.751 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373097 571532546 /nfs/dbraw/zinc/53/25/46/571532546.db2.gz QOMRLGYNHKICHB-VMPREFPWSA-N 0 0 531.125 7.452 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223723486 571532894 /nfs/dbraw/zinc/53/28/94/571532894.db2.gz WQNYIJLGZBKFSN-BJKOFHAPSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223726126 571533371 /nfs/dbraw/zinc/53/33/71/571533371.db2.gz QZCROOIEYWWYJX-DNQXCXABSA-N 0 0 517.482 5.722 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224389731 571536052 /nfs/dbraw/zinc/53/60/52/571536052.db2.gz DCURVPQAQRHMEO-JWQCQUIFSA-N 0 0 510.560 6.824 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163553671 571536695 /nfs/dbraw/zinc/53/66/95/571536695.db2.gz CFAPFAZCVHHLJK-SPLCHINYSA-N 0 0 630.116 6.275 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224400798 571538037 /nfs/dbraw/zinc/53/80/37/571538037.db2.gz BPGLHQMBKKZMLT-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224402691 571538477 /nfs/dbraw/zinc/53/84/77/571538477.db2.gz POTAQSPFSADLOZ-DQEYMECFSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223756464 571538927 /nfs/dbraw/zinc/53/89/27/571538927.db2.gz NTDOTXMLILXJPP-IHLOFXLRSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223760287 571539606 /nfs/dbraw/zinc/53/96/06/571539606.db2.gz CRJRGVBDPVXLEE-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223763749 571540131 /nfs/dbraw/zinc/54/01/31/571540131.db2.gz ZCZNXEPBWVESDW-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223763337 571540162 /nfs/dbraw/zinc/54/01/62/571540162.db2.gz YAGJTRSGKUYXSU-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223765724 571540481 /nfs/dbraw/zinc/54/04/81/571540481.db2.gz WFNLXXRWMFTOSX-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223766056 571540639 /nfs/dbraw/zinc/54/06/39/571540639.db2.gz VIOKFMPZAQFTCI-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223766124 571540641 /nfs/dbraw/zinc/54/06/41/571540641.db2.gz VIOKFMPZAQFTCI-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163725375 571541811 /nfs/dbraw/zinc/54/18/11/571541811.db2.gz TZANWOUNJYHWPK-HYRGFNLMSA-N 0 0 743.727 7.752 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223786300 571543914 /nfs/dbraw/zinc/54/39/14/571543914.db2.gz MHVACCLIZZVYRF-KAYWLYCHSA-N 0 0 536.623 7.084 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223786531 571543937 /nfs/dbraw/zinc/54/39/37/571543937.db2.gz GFWMEWWVNVNITA-FIRIVFDPSA-N 0 0 553.732 5.902 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223795974 571545338 /nfs/dbraw/zinc/54/53/38/571545338.db2.gz BQPDRZJCAXKAHY-SXOMAYOGSA-N 0 0 536.623 7.084 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224437486 571545806 /nfs/dbraw/zinc/54/58/06/571545806.db2.gz VJIVSXDRUQKERU-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N(C)C1=S ZINC000164429171 571547439 /nfs/dbraw/zinc/54/74/39/571547439.db2.gz XBQSNPCPQAOKKQ-UHFFFAOYSA-N 0 0 621.294 5.385 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224450769 571548989 /nfs/dbraw/zinc/54/89/89/571548989.db2.gz PJMHQUCHPSLLNT-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224450963 571549013 /nfs/dbraw/zinc/54/90/13/571549013.db2.gz ZSIOHOAFKLTPDI-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224459248 571550773 /nfs/dbraw/zinc/55/07/73/571550773.db2.gz KQMYKTKSYPPJGU-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN CCCOc1c(I)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000164801518 571551120 /nfs/dbraw/zinc/55/11/20/571551120.db2.gz QTCQTXNCDYCLSF-UHFFFAOYSA-N 0 0 640.543 6.844 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164802807 571551128 /nfs/dbraw/zinc/55/11/28/571551128.db2.gz VXGHINHECDPKSH-UHFFFAOYSA-N 0 0 706.456 8.164 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164816204 571551287 /nfs/dbraw/zinc/55/12/87/571551287.db2.gz ZRBYWZQJXYVUBH-UHFFFAOYSA-N 0 0 631.910 7.664 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466978 571552735 /nfs/dbraw/zinc/55/27/35/571552735.db2.gz JJXWZXSJKKDHBV-URLMMPGGSA-N 0 0 530.141 7.166 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Br)c1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169616994 571553763 /nfs/dbraw/zinc/55/37/63/571553763.db2.gz DWBDWVBAHRGQST-NJDAHSKKSA-N 0 0 571.210 5.451 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000169618216 571554024 /nfs/dbraw/zinc/55/40/24/571554024.db2.gz RVURBOGPHSVYAN-WXFUMESZSA-N 0 0 517.940 5.298 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223821836 571556146 /nfs/dbraw/zinc/55/61/46/571556146.db2.gz XGVVRDQDUUWONJ-IZLXSDGUSA-N 0 0 512.635 5.794 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000223824079 571556883 /nfs/dbraw/zinc/55/68/83/571556883.db2.gz HZDQYDLUJHDXNW-JDXGNMNLSA-N 0 0 510.707 6.936 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]23)cc1 ZINC000169686231 571558256 /nfs/dbraw/zinc/55/82/56/571558256.db2.gz BAXZIKYVNBJHQJ-JCYYIGJDSA-N 0 0 515.565 5.658 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224489727 571558532 /nfs/dbraw/zinc/55/85/32/571558532.db2.gz IZNSYWBXUQADEF-JWQCQUIFSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C ZINC000224493979 571559557 /nfs/dbraw/zinc/55/95/57/571559557.db2.gz ADKSWPDGXSLKMD-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224494691 571559912 /nfs/dbraw/zinc/55/99/12/571559912.db2.gz YTLSWDWZMIZAKT-KAYWLYCHSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224495934 571560081 /nfs/dbraw/zinc/56/00/81/571560081.db2.gz ITDZYNIDRWEYSX-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224497369 571560465 /nfs/dbraw/zinc/56/04/65/571560465.db2.gz MEJRCWYUYYTDEP-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498533 571560903 /nfs/dbraw/zinc/56/09/03/571560903.db2.gz WMNKYUZASLRJRG-WDYNHAJCSA-N 0 0 574.592 7.275 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224498923 571560994 /nfs/dbraw/zinc/56/09/94/571560994.db2.gz BPHUXLKVTMSLCC-JWQCQUIFSA-N 0 0 572.359 7.736 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502387 571561835 /nfs/dbraw/zinc/56/18/35/571561835.db2.gz VVNQABQGNKQQLQ-XTEPFMGCSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224502946 571561966 /nfs/dbraw/zinc/56/19/66/571561966.db2.gz DLBMAHSXSPGNSA-RPBOFIJWSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223861528 571563580 /nfs/dbraw/zinc/56/35/80/571563580.db2.gz BCQSWROWXNUGHF-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864540 571564076 /nfs/dbraw/zinc/56/40/76/571564076.db2.gz HZLLCHYHEGKSKX-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224532342 571567844 /nfs/dbraw/zinc/56/78/44/571567844.db2.gz FRLWJUNWBMJTIZ-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223885043 571567987 /nfs/dbraw/zinc/56/79/87/571567987.db2.gz OFHROQBJPJCVPW-IOWSJCHKSA-N 0 0 552.748 5.569 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224532668 571568078 /nfs/dbraw/zinc/56/80/78/571568078.db2.gz CHZABYHNRJRVDZ-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224537581 571569379 /nfs/dbraw/zinc/56/93/79/571569379.db2.gz XTOHHGDUEYJKJE-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223894528 571569805 /nfs/dbraw/zinc/56/98/05/571569805.db2.gz WTRZYWMFVVTBHU-RRPNLBNLSA-N 0 0 535.639 6.751 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000223896608 571570186 /nfs/dbraw/zinc/57/01/86/571570186.db2.gz MJJUFQNGPPPMRS-KAYWLYCHSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223896848 571570293 /nfs/dbraw/zinc/57/02/93/571570293.db2.gz XJXNFKNCVHOQHF-KAYWLYCHSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223897089 571570306 /nfs/dbraw/zinc/57/03/06/571570306.db2.gz CUXHSASXWKQSDS-KAYWLYCHSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223896967 571570320 /nfs/dbraw/zinc/57/03/20/571570320.db2.gz XJXNFKNCVHOQHF-RRPNLBNLSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223900867 571571120 /nfs/dbraw/zinc/57/11/20/571571120.db2.gz CWWXKIPMUKTDIO-WUFINQPMSA-N 0 0 511.651 5.461 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223901800 571571259 /nfs/dbraw/zinc/57/12/59/571571259.db2.gz NMFUENKYSKNOSV-WUFINQPMSA-N 0 0 542.665 5.649 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902537 571571432 /nfs/dbraw/zinc/57/14/32/571571432.db2.gz XLPWVNHFVFNBES-NSOVKSMOSA-N 0 0 532.113 6.394 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)c1 ZINC000224551264 571572735 /nfs/dbraw/zinc/57/27/35/571572735.db2.gz JGRPAYLXYHUSAM-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000206909605 571573062 /nfs/dbraw/zinc/57/30/62/571573062.db2.gz APGKEZQVWLMRNN-LPYMAVHISA-N 0 0 638.392 7.280 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OC ZINC000206908868 571573078 /nfs/dbraw/zinc/57/30/78/571573078.db2.gz NLGVHMHKAMTVFT-MHWRWJLKSA-N 0 0 527.849 5.056 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000206907748 571573087 /nfs/dbraw/zinc/57/30/87/571573087.db2.gz ANIPNLJKOOZXOS-MHWRWJLKSA-N 0 0 527.849 5.056 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208227273 571573505 /nfs/dbraw/zinc/57/35/05/571573505.db2.gz RHUKLTZWKCSCDO-BDQMVGTNSA-N 0 0 542.499 6.155 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000208381939 571574165 /nfs/dbraw/zinc/57/41/65/571574165.db2.gz BWVZROKCNQMUHX-LLXISZFLSA-N 0 0 607.707 5.491 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208532705 571574606 /nfs/dbraw/zinc/57/46/06/571574606.db2.gz DLGQJDSIQIDUBS-QRVIBDJDSA-N 0 0 511.485 7.016 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000224560745 571574763 /nfs/dbraw/zinc/57/47/63/571574763.db2.gz FUHCSNWLQYJALE-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208649352 571574836 /nfs/dbraw/zinc/57/48/36/571574836.db2.gz RGHRZQWWMAGPCH-NHDPSOOVSA-N 0 0 500.960 6.372 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208659236 571574849 /nfs/dbraw/zinc/57/48/49/571574849.db2.gz JXOLBTMHTXFNGK-NHDPSOOVSA-N 0 0 611.885 7.077 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000208722690 571575108 /nfs/dbraw/zinc/57/51/08/571575108.db2.gz KMCVQYSMOXHFCQ-ODLFYWEKSA-N 0 0 506.483 6.288 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000224564105 571575626 /nfs/dbraw/zinc/57/56/26/571575626.db2.gz ODCKOOJUFXKDAT-KYJUHHDHSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000224565632 571575863 /nfs/dbraw/zinc/57/58/63/571575863.db2.gz IQXAUXOSFUKKNI-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000224568016 571576429 /nfs/dbraw/zinc/57/64/29/571576429.db2.gz DOYFDYLQYSZRSD-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214044880 571577236 /nfs/dbraw/zinc/57/72/36/571577236.db2.gz GVBZUDBEPZSAIR-VULFUBBASA-N 0 0 541.500 7.655 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000224572083 571577438 /nfs/dbraw/zinc/57/74/38/571577438.db2.gz CQFGOEVGAOOTSA-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000224572556 571577558 /nfs/dbraw/zinc/57/75/58/571577558.db2.gz YDJYODPUELXQGW-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000223931535 571577774 /nfs/dbraw/zinc/57/77/74/571577774.db2.gz CBPVUPUSPDIWQP-LOYHVIPDSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C ZINC000223931292 571577862 /nfs/dbraw/zinc/57/78/62/571577862.db2.gz GVASQPABYYJEMW-LOYHVIPDSA-N 0 0 523.706 5.811 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214247490 571578206 /nfs/dbraw/zinc/57/82/06/571578206.db2.gz VISLFLWLXBLUKL-LGJNPRDNSA-N 0 0 559.490 7.794 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223934036 571578263 /nfs/dbraw/zinc/57/82/63/571578263.db2.gz IPFVUDCDWQTYIP-WDYNHAJCSA-N 0 0 544.124 6.156 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214348072 571578595 /nfs/dbraw/zinc/57/85/95/571578595.db2.gz KZBMZBMXTACHQX-LGJNPRDNSA-N 0 0 559.490 7.794 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223935859 571578721 /nfs/dbraw/zinc/57/87/21/571578721.db2.gz FKHZNBXNCOIDJK-KYJUHHDHSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940554 571579900 /nfs/dbraw/zinc/57/99/00/571579900.db2.gz XGLLKLFJSRNMPZ-KYJUHHDHSA-N 0 0 574.150 6.165 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940741 571579960 /nfs/dbraw/zinc/57/99/60/571579960.db2.gz XJAYOELTTGJRIU-XZWHSSHBSA-N 0 0 584.702 5.420 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940984 571579984 /nfs/dbraw/zinc/57/99/84/571579984.db2.gz NQZIVTYOYMPMNU-XDFJSJKPSA-N 0 0 551.760 6.374 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ncccc1C ZINC000223941368 571580118 /nfs/dbraw/zinc/58/01/18/571580118.db2.gz XSJZIJPYOVYDBN-VSGBNLITSA-N 0 0 524.694 5.206 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000223941678 571580129 /nfs/dbraw/zinc/58/01/29/571580129.db2.gz IXOURXMZZORQFX-WDYNHAJCSA-N 0 0 524.694 5.206 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224587701 571581359 /nfs/dbraw/zinc/58/13/59/571581359.db2.gz WLSROMSYGLQKCV-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214892699 571581844 /nfs/dbraw/zinc/58/18/44/571581844.db2.gz CDRLZTGTTRIDHM-OCSSWDANSA-N 0 0 610.692 6.848 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592230 571582183 /nfs/dbraw/zinc/58/21/83/571582183.db2.gz NAXGIVDKUILUNI-JWQCQUIFSA-N 0 0 508.569 6.391 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000215008995 571582596 /nfs/dbraw/zinc/58/25/96/571582596.db2.gz NXBQXLCCAZNWKN-VULFUBBASA-N 0 0 605.629 5.603 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223955447 571583031 /nfs/dbraw/zinc/58/30/31/571583031.db2.gz ZZKGIQLOHORYNG-WDYNHAJCSA-N 0 0 525.678 5.203 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224603947 571584665 /nfs/dbraw/zinc/58/46/65/571584665.db2.gz PEZPUAFHUZCFDF-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608107 571585532 /nfs/dbraw/zinc/58/55/32/571585532.db2.gz OAFLZWQUBWNXMR-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609236 571585776 /nfs/dbraw/zinc/58/57/76/571585776.db2.gz KVHIMXUMHIKXBD-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608942 571585780 /nfs/dbraw/zinc/58/57/80/571585780.db2.gz HYNNOHSSGLHXLS-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223974588 571586958 /nfs/dbraw/zinc/58/69/58/571586958.db2.gz SGUOAPZOYIRELI-RRPNLBNLSA-N 0 0 516.070 6.278 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223976202 571587269 /nfs/dbraw/zinc/58/72/69/571587269.db2.gz JYGIPECLMQFLJH-WUFINQPMSA-N 0 0 511.651 5.633 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977604 571587463 /nfs/dbraw/zinc/58/74/63/571587463.db2.gz VEFIFJCABCWLMN-JSOSNVBQSA-N 0 0 552.748 6.471 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223978198 571587680 /nfs/dbraw/zinc/58/76/80/571587680.db2.gz XQFMGSZFIXPTEV-KAYWLYCHSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000223978921 571587766 /nfs/dbraw/zinc/58/77/66/571587766.db2.gz JLUUGDYUFZFGSC-XRKRLSELSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223979405 571587805 /nfs/dbraw/zinc/58/78/05/571587805.db2.gz XMYYHIICWZGDAM-VSGBNLITSA-N 0 0 525.634 5.353 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000223979169 571587825 /nfs/dbraw/zinc/58/78/25/571587825.db2.gz NGMOCYNGDJCUIF-FQLXRVMXSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223979877 571587948 /nfs/dbraw/zinc/58/79/48/571587948.db2.gz UTBIMLGNBDTCTG-VSGBNLITSA-N 0 0 530.097 6.586 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223980956 571588153 /nfs/dbraw/zinc/58/81/53/571588153.db2.gz WCWAIWPWNBULHC-IZLXSDGUSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981304 571588304 /nfs/dbraw/zinc/58/83/04/571588304.db2.gz UNJINYNMMWIVOK-NSOVKSMOSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224635897 571591808 /nfs/dbraw/zinc/59/18/08/571591808.db2.gz BTGHJYPXIIAETK-ACHIHNKUSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224635679 571591832 /nfs/dbraw/zinc/59/18/32/571591832.db2.gz LSKDKAWNWDLCHH-AJQTZOPKSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224637576 571592254 /nfs/dbraw/zinc/59/22/54/571592254.db2.gz JUJAOKCXQYZAPD-JSOSNVBQSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224638101 571592407 /nfs/dbraw/zinc/59/24/07/571592407.db2.gz VKSBMBLLTMJVIY-JSOSNVBQSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224640270 571592951 /nfs/dbraw/zinc/59/29/51/571592951.db2.gz PAKIGSSHWGNMCK-FIRIVFDPSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224641307 571593123 /nfs/dbraw/zinc/59/31/23/571593123.db2.gz LUIHQALMJGIXPP-ROJLCIKYSA-N 0 0 560.679 7.187 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224642176 571593340 /nfs/dbraw/zinc/59/33/40/571593340.db2.gz DPBWDUHYZDURSE-ROJLCIKYSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1O ZINC000224007097 571594155 /nfs/dbraw/zinc/59/41/55/571594155.db2.gz FVKVQKCBROENEW-UIOOFZCWSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 ZINC000224014009 571595353 /nfs/dbraw/zinc/59/53/53/571595353.db2.gz PDJYRTUSCFXXKP-FTJBHMTQSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 ZINC000224013954 571595359 /nfs/dbraw/zinc/59/53/59/571595359.db2.gz PDJYRTUSCFXXKP-CLJLJLNGSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl ZINC000224013813 571595361 /nfs/dbraw/zinc/59/53/61/571595361.db2.gz KLYUQRFZCURMGP-IZZNHLLZSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 ZINC000224014769 571595481 /nfs/dbraw/zinc/59/54/81/571595481.db2.gz UDLWCNSAGZGGGJ-IZZNHLLZSA-N 0 0 547.478 6.157 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224655839 571596742 /nfs/dbraw/zinc/59/67/42/571596742.db2.gz RYQDDDLLMBADKF-ROJLCIKYSA-N 0 0 574.706 7.245 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020861 571596760 /nfs/dbraw/zinc/59/67/60/571596760.db2.gz XUGAEVNGNDDKIP-YTMVLYRLSA-N 0 0 510.663 6.266 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000224661177 571597986 /nfs/dbraw/zinc/59/79/86/571597986.db2.gz VPVWOHYAGRXPLX-ZWXJPIIXSA-N 0 0 546.740 7.991 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000224661130 571598025 /nfs/dbraw/zinc/59/80/25/571598025.db2.gz VPVWOHYAGRXPLX-ACHIHNKUSA-N 0 0 546.740 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224668153 571599175 /nfs/dbraw/zinc/59/91/75/571599175.db2.gz ZIYIWPYACFANRB-ZPGRZCPFSA-N 0 0 580.757 8.920 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(F)c1 ZINC000224670227 571599551 /nfs/dbraw/zinc/59/95/51/571599551.db2.gz OMRNZAUFDGNIHE-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Br ZINC000224671288 571599890 /nfs/dbraw/zinc/59/98/90/571599890.db2.gz FDEISOAMQSCMRB-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224671493 571599902 /nfs/dbraw/zinc/59/99/02/571599902.db2.gz XIRGXWJVYXVYRJ-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224672009 571600076 /nfs/dbraw/zinc/60/00/76/571600076.db2.gz AIIAIRAHAPTRLH-ROJLCIKYSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224672516 571600163 /nfs/dbraw/zinc/60/01/63/571600163.db2.gz JUYXQMOFKWXTRF-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224672565 571600166 /nfs/dbraw/zinc/60/01/66/571600166.db2.gz JUYXQMOFKWXTRF-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224674380 571600571 /nfs/dbraw/zinc/60/05/71/571600571.db2.gz XFRLREYHDKHFMC-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224674788 571600653 /nfs/dbraw/zinc/60/06/53/571600653.db2.gz OOFIDMUMPCOQCP-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cccc1C ZINC000224674531 571600655 /nfs/dbraw/zinc/60/06/55/571600655.db2.gz ONTFPHIDRRHERG-CWTKIQHKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cccc1C ZINC000224674480 571600766 /nfs/dbraw/zinc/60/07/66/571600766.db2.gz ONTFPHIDRRHERG-ZFEZZJPFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224675902 571600985 /nfs/dbraw/zinc/60/09/85/571600985.db2.gz WUWQEMNGOYXKOC-CZNDPXEESA-N 0 0 579.169 8.729 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224675851 571601048 /nfs/dbraw/zinc/60/10/48/571601048.db2.gz SOVHWPZTLCYXSZ-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224677429 571601324 /nfs/dbraw/zinc/60/13/24/571601324.db2.gz KGFOSYVMNMPRHM-AJQTZOPKSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224046184 571601558 /nfs/dbraw/zinc/60/15/58/571601558.db2.gz ZVRDGGZYCWLGEY-VSGBNLITSA-N 0 0 583.541 6.704 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224049911 571602014 /nfs/dbraw/zinc/60/20/14/571602014.db2.gz UCVWHDRYYAKJAN-ZWXJPIIXSA-N 0 0 583.157 7.498 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224052591 571602461 /nfs/dbraw/zinc/60/24/61/571602461.db2.gz JEKYJGWFABYCND-WUFINQPMSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224052835 571602640 /nfs/dbraw/zinc/60/26/40/571602640.db2.gz ZHIQEOQQHNRWHA-WUFINQPMSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224052883 571602642 /nfs/dbraw/zinc/60/26/42/571602642.db2.gz ZHIQEOQQHNRWHA-VSGBNLITSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224053399 571602656 /nfs/dbraw/zinc/60/26/56/571602656.db2.gz KIBJQSHOTTZKQE-NSOVKSMOSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224054694 571603015 /nfs/dbraw/zinc/60/30/15/571603015.db2.gz IKDHPTVRWAAYBF-WUFINQPMSA-N 0 0 549.096 6.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224056528 571603291 /nfs/dbraw/zinc/60/32/91/571603291.db2.gz FPNHVCDSVVVMBS-IZLXSDGUSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224057358 571603614 /nfs/dbraw/zinc/60/36/14/571603614.db2.gz JEUVWMSALOUTSO-LOYHVIPDSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224057262 571603656 /nfs/dbraw/zinc/60/36/56/571603656.db2.gz JEUVWMSALOUTSO-IHLOFXLRSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224058728 571603929 /nfs/dbraw/zinc/60/39/29/571603929.db2.gz VLWKIRXDMUEJLN-URLMMPGGSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224058620 571604028 /nfs/dbraw/zinc/60/40/28/571604028.db2.gz VLWKIRXDMUEJLN-VMPREFPWSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224060350 571604352 /nfs/dbraw/zinc/60/43/52/571604352.db2.gz UYYSCHAWLZBOPF-IZLXSDGUSA-N 0 0 548.112 6.048 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224060215 571604360 /nfs/dbraw/zinc/60/43/60/571604360.db2.gz OMEHJKFLFLGULA-SMCANUKXSA-N 0 0 575.178 7.216 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224689818 571604993 /nfs/dbraw/zinc/60/49/93/571604993.db2.gz MAFSUZWBUVFICV-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224690065 571605093 /nfs/dbraw/zinc/60/50/93/571605093.db2.gz DHTFUVNKLGBXQX-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000224074518 571606673 /nfs/dbraw/zinc/60/66/73/571606673.db2.gz PFJOCDZQSREAJE-KAYWLYCHSA-N 0 0 519.070 6.036 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224704776 571606862 /nfs/dbraw/zinc/60/68/62/571606862.db2.gz VEIVVEDRQOIHTA-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224703541 571606891 /nfs/dbraw/zinc/60/68/91/571606891.db2.gz RTERXNWZJSDBBS-ROJLCIKYSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224703384 571606909 /nfs/dbraw/zinc/60/69/09/571606909.db2.gz HPDXTQJKEPCPHZ-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224703943 571606939 /nfs/dbraw/zinc/60/69/39/571606939.db2.gz WPDVHCITNSYFFG-KKLWWLSJSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1F ZINC000224704191 571606945 /nfs/dbraw/zinc/60/69/45/571606945.db2.gz YEVBQYNQNUSKEB-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224705268 571606980 /nfs/dbraw/zinc/60/69/80/571606980.db2.gz QJTFRIGXSUNJJK-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224705678 571607016 /nfs/dbraw/zinc/60/70/16/571607016.db2.gz AVAYZWQFNCLNQW-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224705183 571607025 /nfs/dbraw/zinc/60/70/25/571607025.db2.gz QJTFRIGXSUNJJK-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224080072 571607199 /nfs/dbraw/zinc/60/71/99/571607199.db2.gz LDCJXZNGJNXDBC-CZNDPXEESA-N 0 0 608.812 6.406 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224079969 571607203 /nfs/dbraw/zinc/60/72/03/571607203.db2.gz DTOLXXDMSBJKGY-URLMMPGGSA-N 0 0 591.703 7.588 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224707576 571607277 /nfs/dbraw/zinc/60/72/77/571607277.db2.gz OTDXSDGGZLRKFM-HEVIKAOCSA-N 0 0 573.766 7.833 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707712 571607331 /nfs/dbraw/zinc/60/73/31/571607331.db2.gz ACXVVCRZNAHBIG-MPQUPPDSSA-N 0 0 601.820 8.613 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224707529 571607360 /nfs/dbraw/zinc/60/73/60/571607360.db2.gz OTDXSDGGZLRKFM-SZAHLOSFSA-N 0 0 573.766 7.833 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224708340 571607377 /nfs/dbraw/zinc/60/73/77/571607377.db2.gz RPPIVWJEZDMZLU-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224708242 571607469 /nfs/dbraw/zinc/60/74/69/571607469.db2.gz RPPIVWJEZDMZLU-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224709977 571607833 /nfs/dbraw/zinc/60/78/33/571607833.db2.gz VIQBIPPVAANFMI-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710601 571608026 /nfs/dbraw/zinc/60/80/26/571608026.db2.gz HEPLIYKOZZKMGW-LQJZCPKCSA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224090416 571608484 /nfs/dbraw/zinc/60/84/84/571608484.db2.gz FMBALCQJTMTBMN-VMPREFPWSA-N 0 0 591.703 7.588 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224090731 571608518 /nfs/dbraw/zinc/60/85/18/571608518.db2.gz KWSSZTPFBRDVME-FIRIVFDPSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224090363 571608535 /nfs/dbraw/zinc/60/85/35/571608535.db2.gz FMBALCQJTMTBMN-URLMMPGGSA-N 0 0 591.703 7.588 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224090655 571608551 /nfs/dbraw/zinc/60/85/51/571608551.db2.gz IKRFMHMRTWHNOD-CONSDPRKSA-N 0 0 551.760 7.132 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224090787 571608648 /nfs/dbraw/zinc/60/86/48/571608648.db2.gz KWSSZTPFBRDVME-JSOSNVBQSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224091486 571608721 /nfs/dbraw/zinc/60/87/21/571608721.db2.gz NYCFEYOZELSANR-WDYNHAJCSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224092216 571608857 /nfs/dbraw/zinc/60/88/57/571608857.db2.gz MLVYLHLIROHODO-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1O ZINC000224093179 571608899 /nfs/dbraw/zinc/60/88/99/571608899.db2.gz XNORSWSSRFVLKR-URLMMPGGSA-N 0 0 539.705 6.275 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224093303 571608993 /nfs/dbraw/zinc/60/89/93/571608993.db2.gz DAANDPXPULAMOE-FQLXRVMXSA-N 0 0 539.705 6.275 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224093749 571609092 /nfs/dbraw/zinc/60/90/92/571609092.db2.gz JQRPKOYTYWPUKZ-LOYHVIPDSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224095854 571609409 /nfs/dbraw/zinc/60/94/09/571609409.db2.gz ITVXUEJAWHGKQA-JSOSNVBQSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224096550 571609418 /nfs/dbraw/zinc/60/94/18/571609418.db2.gz BVVZXFPAMNIUSY-IHLOFXLRSA-N 0 0 567.715 6.298 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224096735 571609433 /nfs/dbraw/zinc/60/94/33/571609433.db2.gz CXHJUDKGZCLFJC-XLJNKUFUSA-N 0 0 565.787 7.494 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000224723192 571610738 /nfs/dbraw/zinc/61/07/38/571610738.db2.gz ZYRGNWTVCIYLQZ-JSOSNVBQSA-N 0 0 516.670 7.459 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224723872 571610899 /nfs/dbraw/zinc/61/08/99/571610899.db2.gz AHSNMGFYOQLLLV-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224723740 571610917 /nfs/dbraw/zinc/61/09/17/571610917.db2.gz AHSNMGFYOQLLLV-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224723974 571610972 /nfs/dbraw/zinc/61/09/72/571610972.db2.gz DPOMZDIXWWWLDG-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224107469 571610973 /nfs/dbraw/zinc/61/09/73/571610973.db2.gz NCUODUNLGFVJAN-UHFFFAOYSA-N 0 0 507.700 5.476 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224724199 571611072 /nfs/dbraw/zinc/61/10/72/571611072.db2.gz DZZOLGJLOYRBTD-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)n1-c1ccccc1 ZINC000224112805 571611339 /nfs/dbraw/zinc/61/13/39/571611339.db2.gz PHYXLMVSJJHXCI-IZLXSDGUSA-N 0 0 509.679 6.261 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)n1-c1ccccc1 ZINC000224112869 571611364 /nfs/dbraw/zinc/61/13/64/571611364.db2.gz PHYXLMVSJJHXCI-WUFINQPMSA-N 0 0 509.679 6.261 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)cc1 ZINC000224113172 571611378 /nfs/dbraw/zinc/61/13/78/571611378.db2.gz XWAWCQQLXGTEPD-VMPREFPWSA-N 0 0 539.705 6.269 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224114041 571611452 /nfs/dbraw/zinc/61/14/52/571611452.db2.gz CZZAADQYBUUZFG-XZWHSSHBSA-N 0 0 581.742 6.356 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224113531 571611512 /nfs/dbraw/zinc/61/15/12/571611512.db2.gz VRGYSZIADSGYRW-IHLOFXLRSA-N 0 0 581.742 6.356 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224114096 571611520 /nfs/dbraw/zinc/61/15/20/571611520.db2.gz CZZAADQYBUUZFG-KYJUHHDHSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000224729605 571611933 /nfs/dbraw/zinc/61/19/33/571611933.db2.gz WCKCYQGBWUGISZ-ACHIHNKUSA-N 0 0 597.184 8.345 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 ZINC000224736913 571612477 /nfs/dbraw/zinc/61/24/77/571612477.db2.gz IVEUMZHXXIAGSC-ACHIHNKUSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)cc1 ZINC000224737783 571612525 /nfs/dbraw/zinc/61/25/25/571612525.db2.gz GZJJOLODTZOIOB-AJQTZOPKSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 ZINC000224738768 571612634 /nfs/dbraw/zinc/61/26/34/571612634.db2.gz VTKJGIHFQOKHMZ-AJQTZOPKSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(F)c4)c3C)cc2)cc1 ZINC000224738610 571612637 /nfs/dbraw/zinc/61/26/37/571612637.db2.gz OXDDYRIGBOMJKK-ROJLCIKYSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4Br)c3C)cc2)cc1 ZINC000224739597 571612715 /nfs/dbraw/zinc/61/27/15/571612715.db2.gz AQSXXDYGRDJVME-AJQTZOPKSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)cc1 ZINC000224740008 571612729 /nfs/dbraw/zinc/61/27/29/571612729.db2.gz IPFRWKIZEVBEKA-AJQTZOPKSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)cc2)cc1 ZINC000224742173 571612882 /nfs/dbraw/zinc/61/28/82/571612882.db2.gz KPCUROKYRYWRBK-KKLWWLSJSA-N 0 0 589.765 7.533 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)cc1 ZINC000224742671 571612942 /nfs/dbraw/zinc/61/29/42/571612942.db2.gz SLESKMMHZQJAHZ-ACHIHNKUSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)cc1 ZINC000224743377 571612978 /nfs/dbraw/zinc/61/29/78/571612978.db2.gz DMASMHUDHAJIMP-UZNNEEJFSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)cc1 ZINC000224743283 571612992 /nfs/dbraw/zinc/61/29/92/571612992.db2.gz DMASMHUDHAJIMP-TWJUONSBSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2)cc1 ZINC000224743796 571613032 /nfs/dbraw/zinc/61/30/32/571613032.db2.gz IZFMVXYTJZWRQJ-JHOUSYSJSA-N 0 0 590.705 7.196 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4C)c3C)cc2)cc1 ZINC000224744096 571613064 /nfs/dbraw/zinc/61/30/64/571613064.db2.gz BQFODWIEUVYHEG-LQJZCPKCSA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4C)c3C)cc2)cc1 ZINC000224744686 571613116 /nfs/dbraw/zinc/61/31/16/571613116.db2.gz AHDGQWLVPCFOJB-LQJZCPKCSA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C)cn4)c3C)cc2)cc1 ZINC000224746256 571613268 /nfs/dbraw/zinc/61/32/68/571613268.db2.gz DMCSKGKHBYHXSR-ROJLCIKYSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C)cn4)c3C)cc2)cc1 ZINC000224746116 571613287 /nfs/dbraw/zinc/61/32/87/571613287.db2.gz DMCSKGKHBYHXSR-ACHIHNKUSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(C)n3-c3ccccc3)cc2)cc1 ZINC000224757468 571614377 /nfs/dbraw/zinc/61/43/77/571614377.db2.gz RHZDGJIRZBBSOR-JSOSNVBQSA-N 0 0 532.669 7.159 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224758568 571614486 /nfs/dbraw/zinc/61/44/86/571614486.db2.gz OZLXOUQVHRFRHQ-LQJZCPKCSA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224772951 571615733 /nfs/dbraw/zinc/61/57/33/571615733.db2.gz XPXFADHMPGNLBE-JSOSNVBQSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224774195 571615861 /nfs/dbraw/zinc/61/58/61/571615861.db2.gz SBEZXBCAIAWHPL-JSOSNVBQSA-N 0 0 656.631 8.488 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776056 571616000 /nfs/dbraw/zinc/61/60/00/571616000.db2.gz PODOVWRAFPLHQK-GPOMZPHUSA-N 0 0 648.858 8.572 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224777790 571616159 /nfs/dbraw/zinc/61/61/59/571616159.db2.gz MTGBVQKZXLCPMR-ROJLCIKYSA-N 0 0 626.207 8.687 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224779481 571616289 /nfs/dbraw/zinc/61/62/89/571616289.db2.gz PDNPCCRJVARZGX-CONSDPRKSA-N 0 0 592.750 7.429 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c(OC)c1 ZINC000224803760 571618657 /nfs/dbraw/zinc/61/86/57/571618657.db2.gz CFFCMNZIXMCUHH-IOWSJCHKSA-N 0 0 534.685 6.837 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224805533 571618784 /nfs/dbraw/zinc/61/87/84/571618784.db2.gz JLGPVFGWDAXDGN-WDYNHAJCSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c(OC)c1 ZINC000224807669 571618988 /nfs/dbraw/zinc/61/89/88/571618988.db2.gz HAEYPBAVUPOVTQ-KAYWLYCHSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c(OC)c1 ZINC000224807737 571619001 /nfs/dbraw/zinc/61/90/01/571619001.db2.gz RTYGHAGSERSEGH-SVBPBHIXSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 ZINC000224808924 571619087 /nfs/dbraw/zinc/61/90/87/571619087.db2.gz JLPJMDNIZWOQLI-VMPREFPWSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 ZINC000224809456 571619172 /nfs/dbraw/zinc/61/91/72/571619172.db2.gz XVKLTDUMQVBWJC-KAYWLYCHSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c(OC)c1 ZINC000224810170 571619293 /nfs/dbraw/zinc/61/92/93/571619293.db2.gz DJJXURBHCDOPEQ-PXJZQJOASA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(OC)c1 ZINC000224811232 571619346 /nfs/dbraw/zinc/61/93/46/571619346.db2.gz WVQMTJYXYPZGCP-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(OC)c1 ZINC000224812054 571619471 /nfs/dbraw/zinc/61/94/71/571619471.db2.gz QMQUIRYMLDICOI-VSGBNLITSA-N 0 0 549.096 6.345 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224824900 571620691 /nfs/dbraw/zinc/62/06/91/571620691.db2.gz GPDJELNRBAMGMX-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224829140 571621155 /nfs/dbraw/zinc/62/11/55/571621155.db2.gz VRTQRAHPYBKERE-FIRIVFDPSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224833490 571621571 /nfs/dbraw/zinc/62/15/71/571621571.db2.gz XIYIOWBVSGRHFV-RRPNLBNLSA-N 0 0 535.069 6.042 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224838011 571622018 /nfs/dbraw/zinc/62/20/18/571622018.db2.gz QXZMIHAOLCUJPW-KAYWLYCHSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224837965 571622048 /nfs/dbraw/zinc/62/20/48/571622048.db2.gz QXZMIHAOLCUJPW-RRPNLBNLSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1 ZINC000224840495 571622313 /nfs/dbraw/zinc/62/23/13/571622313.db2.gz UGPTXQKUCFYPQK-RRPNLBNLSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 ZINC000224843222 571622523 /nfs/dbraw/zinc/62/25/23/571622523.db2.gz VKVXRZRGCJVRAQ-WUFINQPMSA-N 0 0 528.634 5.412 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224844263 571622595 /nfs/dbraw/zinc/62/25/95/571622595.db2.gz XAHFIWDDCPWPHP-VSGBNLITSA-N 0 0 533.097 6.645 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224856816 571623732 /nfs/dbraw/zinc/62/37/32/571623732.db2.gz ALXFVUFEXKXBBK-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224856645 571623768 /nfs/dbraw/zinc/62/37/68/571623768.db2.gz IJXIXYUDPFVFHB-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860552 571624123 /nfs/dbraw/zinc/62/41/23/571624123.db2.gz SACHDKGNUFBSCG-WDYNHAJCSA-N 0 0 560.123 5.862 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1O ZINC000224864339 571624545 /nfs/dbraw/zinc/62/45/45/571624545.db2.gz QHBIXDPASPTFMT-JWQCQUIFSA-N 0 0 525.461 6.384 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224868732 571624927 /nfs/dbraw/zinc/62/49/27/571624927.db2.gz JMJCNCMUTJUJPS-RRPNLBNLSA-N 0 0 503.071 6.588 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224868771 571624976 /nfs/dbraw/zinc/62/49/76/571624976.db2.gz JMJCNCMUTJUJPS-SVBPBHIXSA-N 0 0 503.071 6.588 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224870327 571625146 /nfs/dbraw/zinc/62/51/46/571625146.db2.gz NPRZTTBCUWLFKX-RPBOFIJWSA-N 0 0 553.913 6.788 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224871022 571625189 /nfs/dbraw/zinc/62/51/89/571625189.db2.gz VJGQGVVHCFEPPK-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224871328 571625219 /nfs/dbraw/zinc/62/52/19/571625219.db2.gz WNVWZJGGHBLTKW-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C)c1C ZINC000224872699 571625437 /nfs/dbraw/zinc/62/54/37/571625437.db2.gz CXLAJROPSHBYPJ-RRPNLBNLSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224899892 571628149 /nfs/dbraw/zinc/62/81/49/571628149.db2.gz SFUSZGFSBZHVAZ-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224901787 571628268 /nfs/dbraw/zinc/62/82/68/571628268.db2.gz HTRLEKHZYUWSRM-FTJBHMTQSA-N 0 0 525.480 7.421 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901568 571628289 /nfs/dbraw/zinc/62/82/89/571628289.db2.gz NHNXOWFAQCYHEJ-LOYHVIPDSA-N 0 0 527.713 6.960 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901688 571628315 /nfs/dbraw/zinc/62/83/15/571628315.db2.gz NHNXOWFAQCYHEJ-KYJUHHDHSA-N 0 0 527.713 6.960 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1 ZINC000224915779 571629522 /nfs/dbraw/zinc/62/95/22/571629522.db2.gz JDRKZGRQYLAFMZ-SVBPBHIXSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccn1 ZINC000224922117 571630189 /nfs/dbraw/zinc/63/01/89/571630189.db2.gz JUPRLZZWXRRXOQ-DQEYMECFSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1F ZINC000224928517 571630932 /nfs/dbraw/zinc/63/09/32/571630932.db2.gz AXYMRJJTUPIQPB-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224929545 571631050 /nfs/dbraw/zinc/63/10/50/571631050.db2.gz UMNYZIPKTDADFB-IZZNHLLZSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224929640 571631070 /nfs/dbraw/zinc/63/10/70/571631070.db2.gz WUIBMALPKNVDIX-CLJLJLNGSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224932430 571631302 /nfs/dbraw/zinc/63/13/02/571631302.db2.gz YJBVDFPEATZLGF-VSGBNLITSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224932597 571631318 /nfs/dbraw/zinc/63/13/18/571631318.db2.gz KFJBAKAARMPASZ-KAYWLYCHSA-N 0 0 561.505 6.466 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224934713 571631554 /nfs/dbraw/zinc/63/15/54/571631554.db2.gz GOIAZKUUKVSUPI-CLJLJLNGSA-N 0 0 532.511 6.441 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ncccc1C ZINC000224934661 571631572 /nfs/dbraw/zinc/63/15/72/571631572.db2.gz DISHIZWPGCAZIZ-DQEYMECFSA-N 0 0 532.511 6.441 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)cc1 ZINC000224944933 571632553 /nfs/dbraw/zinc/63/25/53/571632553.db2.gz HFKUHRWFXLNNTB-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224945294 571632616 /nfs/dbraw/zinc/63/26/16/571632616.db2.gz DBLFMQLCTGMZGK-KAYWLYCHSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224958134 571633802 /nfs/dbraw/zinc/63/38/02/571633802.db2.gz GAADVZAEDGANKY-FTJBHMTQSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224959525 571633921 /nfs/dbraw/zinc/63/39/21/571633921.db2.gz XXMLAOUBQQQMTN-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224959863 571633997 /nfs/dbraw/zinc/63/39/97/571633997.db2.gz RIXMUCCUYVYFPQ-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224961343 571634128 /nfs/dbraw/zinc/63/41/28/571634128.db2.gz LKKYDKWTDYDWDC-NSOVKSMOSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224961385 571634132 /nfs/dbraw/zinc/63/41/32/571634132.db2.gz LKKYDKWTDYDWDC-IZLXSDGUSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224962219 571634256 /nfs/dbraw/zinc/63/42/56/571634256.db2.gz YGHTZOFRKVEQJG-YTMVLYRLSA-N 0 0 531.125 7.254 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224964079 571634508 /nfs/dbraw/zinc/63/45/08/571634508.db2.gz XHTINXISZMFXSW-JWQCQUIFSA-N 0 0 504.059 6.032 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224978584 571635669 /nfs/dbraw/zinc/63/56/69/571635669.db2.gz MUONJRIZFXPULF-PXLJZGITSA-N 0 0 641.285 7.393 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224985584 571636374 /nfs/dbraw/zinc/63/63/74/571636374.db2.gz BQBUOFPXWKSZNV-CONSDPRKSA-N 0 0 556.179 7.556 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224987379 571636603 /nfs/dbraw/zinc/63/66/03/571636603.db2.gz QFYQNRMWCDYFAR-JSOSNVBQSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224987419 571636625 /nfs/dbraw/zinc/63/66/25/571636625.db2.gz QFYQNRMWCDYFAR-IOWSJCHKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224987276 571636626 /nfs/dbraw/zinc/63/66/26/571636626.db2.gz WIOAQOKSAHZVDS-CONSDPRKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224987850 571636650 /nfs/dbraw/zinc/63/66/50/571636650.db2.gz UQJKHYYWPLQZQU-FIRIVFDPSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224987727 571636667 /nfs/dbraw/zinc/63/66/67/571636667.db2.gz KEXFLWQJGSQFEX-JSOSNVBQSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224990071 571636896 /nfs/dbraw/zinc/63/68/96/571636896.db2.gz XIKWMJARSBDGBH-SAIUNTKASA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224990925 571637025 /nfs/dbraw/zinc/63/70/25/571637025.db2.gz NWKVMNRRMULWCQ-CWTKIQHKSA-N 0 0 598.260 8.481 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224992651 571637229 /nfs/dbraw/zinc/63/72/29/571637229.db2.gz LCFGCDOHKORODG-KYJUHHDHSA-N 0 0 571.194 7.259 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000225002559 571638179 /nfs/dbraw/zinc/63/81/79/571638179.db2.gz NIWRHQBBQLRQFN-CONSDPRKSA-N 0 0 572.178 7.256 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225006831 571638530 /nfs/dbraw/zinc/63/85/30/571638530.db2.gz ULPVCMUYWMFCAP-WUFINQPMSA-N 0 0 501.700 5.241 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225041960 571641377 /nfs/dbraw/zinc/64/13/77/571641377.db2.gz CSVWWCOJNZEJMN-AJQTZOPKSA-N 0 0 531.729 7.117 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225044432 571641608 /nfs/dbraw/zinc/64/16/08/571641608.db2.gz DMMQIENICMEKPX-VSGBNLITSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225044820 571641612 /nfs/dbraw/zinc/64/16/12/571641612.db2.gz LJPQPGNSTLINHX-IZLXSDGUSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225046811 571641870 /nfs/dbraw/zinc/64/18/70/571641870.db2.gz YJXNCFDESCGJJP-VSGBNLITSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225047030 571641899 /nfs/dbraw/zinc/64/18/99/571641899.db2.gz QLCORWPFZDOIHO-IHLOFXLRSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225047674 571641983 /nfs/dbraw/zinc/64/19/83/571641983.db2.gz YUPZPPGXVSVEBM-FQLXRVMXSA-N 0 0 525.678 5.693 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225047546 571641985 /nfs/dbraw/zinc/64/19/85/571641985.db2.gz PUYQDFXIXYNBLN-IHLOFXLRSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225047759 571642004 /nfs/dbraw/zinc/64/20/04/571642004.db2.gz YUPZPPGXVSVEBM-URLMMPGGSA-N 0 0 525.678 5.693 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225048646 571642087 /nfs/dbraw/zinc/64/20/87/571642087.db2.gz XDYMUGZCNWZOOX-VMPREFPWSA-N 0 0 530.141 6.926 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049081 571642134 /nfs/dbraw/zinc/64/21/34/571642134.db2.gz XLRDKZUDYKQYHM-WDYNHAJCSA-N 0 0 556.692 5.881 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225060070 571643017 /nfs/dbraw/zinc/64/30/17/571643017.db2.gz SVZONHBNGVVNRL-FQLXRVMXSA-N 0 0 539.705 5.750 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225060299 571643018 /nfs/dbraw/zinc/64/30/18/571643018.db2.gz YFCJVFVMGPUFCX-WDYNHAJCSA-N 0 0 539.705 5.750 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000225064673 571643511 /nfs/dbraw/zinc/64/35/11/571643511.db2.gz POGCXWTXHBBAPU-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000225071408 571644122 /nfs/dbraw/zinc/64/41/22/571644122.db2.gz KOQUIIWNMWOBFJ-JHOUSYSJSA-N 0 0 573.722 6.684 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225071942 571644159 /nfs/dbraw/zinc/64/41/59/571644159.db2.gz JAUZRVKQEBDOTD-SZAHLOSFSA-N 0 0 587.749 6.992 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225072261 571644189 /nfs/dbraw/zinc/64/41/89/571644189.db2.gz CDFMDUQEEAEEGG-GPOMZPHUSA-N 0 0 601.776 7.246 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225072300 571644219 /nfs/dbraw/zinc/64/42/19/571644219.db2.gz CDFMDUQEEAEEGG-OIDHKYIRSA-N 0 0 601.776 7.246 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225072444 571644243 /nfs/dbraw/zinc/64/42/43/571644243.db2.gz OTWOVGPOLQKJOE-GPOMZPHUSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225073318 571644342 /nfs/dbraw/zinc/64/43/42/571644342.db2.gz OHJCWHDTRGDZSB-SAIUNTKASA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225076243 571644644 /nfs/dbraw/zinc/64/46/44/571644644.db2.gz GYEAQFQHWLUVAB-GPOMZPHUSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225076752 571644703 /nfs/dbraw/zinc/64/47/03/571644703.db2.gz KTHBTWMJDRAQSK-NOCHOARKSA-N 0 0 617.731 6.412 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077258 571644745 /nfs/dbraw/zinc/64/47/45/571644745.db2.gz UFCRXKMSTZVNCQ-NOCHOARKSA-N 0 0 648.745 6.601 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225089374 571646216 /nfs/dbraw/zinc/64/62/16/571646216.db2.gz RZIOJNWFSYOQCO-HEVIKAOCSA-N 0 0 631.758 6.470 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225089333 571646222 /nfs/dbraw/zinc/64/62/22/571646222.db2.gz RZIOJNWFSYOQCO-SZAHLOSFSA-N 0 0 631.758 6.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225089550 571646289 /nfs/dbraw/zinc/64/62/89/571646289.db2.gz VKOVSFVHZLDEGG-HEVIKAOCSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NC(=O)C(C)(C)C ZINC000225099729 571647147 /nfs/dbraw/zinc/64/71/47/571647147.db2.gz XIPRMILTCYGVAM-SAIUNTKASA-N 0 0 603.792 7.813 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100602 571647204 /nfs/dbraw/zinc/64/72/04/571647204.db2.gz RUYWZWJLOHIFDA-LOYHVIPDSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100309 571647214 /nfs/dbraw/zinc/64/72/14/571647214.db2.gz RLCGNVXRHWLHTJ-VMPREFPWSA-N 0 0 553.732 6.659 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225101162 571647284 /nfs/dbraw/zinc/64/72/84/571647284.db2.gz CTESSJHBZBBPHW-FIRIVFDPSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102468 571647402 /nfs/dbraw/zinc/64/74/02/571647402.db2.gz CORUFWVYKMSWFD-FQLXRVMXSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102427 571647420 /nfs/dbraw/zinc/64/74/20/571647420.db2.gz CORUFWVYKMSWFD-URLMMPGGSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102776 571647464 /nfs/dbraw/zinc/64/74/64/571647464.db2.gz CIWCNJNOCLVKMR-URLMMPGGSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225103449 571647479 /nfs/dbraw/zinc/64/74/79/571647479.db2.gz WKVWPGPVCVGBSC-XZWHSSHBSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225103374 571647497 /nfs/dbraw/zinc/64/74/97/571647497.db2.gz WKVWPGPVCVGBSC-LOYHVIPDSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105428 571647706 /nfs/dbraw/zinc/64/77/06/571647706.db2.gz YMMBBVJMDDHJLO-CONSDPRKSA-N 0 0 581.786 7.276 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107154 571647948 /nfs/dbraw/zinc/64/79/48/571647948.db2.gz FVMRCGANMYORMG-XLJNKUFUSA-N 0 0 595.813 7.530 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107445 571647951 /nfs/dbraw/zinc/64/79/51/571647951.db2.gz JSNJDIQBGOXYNT-FQLXRVMXSA-N 0 0 568.747 6.363 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107528 571647974 /nfs/dbraw/zinc/64/79/74/571647974.db2.gz OMOLMVFDULAZGY-IZLXSDGUSA-N 0 0 568.747 6.363 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225122032 571649538 /nfs/dbraw/zinc/64/95/38/571649538.db2.gz PHMZHYNQNWDENS-IZLXSDGUSA-N 0 0 612.121 7.933 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000225123038 571649633 /nfs/dbraw/zinc/64/96/33/571649633.db2.gz RFTXGSXVXXGCOM-VSGBNLITSA-N 0 0 594.612 7.792 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000225129048 571650111 /nfs/dbraw/zinc/65/01/11/571650111.db2.gz VOYLTHJBNKWSFM-IZLXSDGUSA-N 0 0 544.124 6.914 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000225130512 571650183 /nfs/dbraw/zinc/65/01/83/571650183.db2.gz FVBASGIZXUEGDL-VSGBNLITSA-N 0 0 562.114 7.053 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225131952 571650335 /nfs/dbraw/zinc/65/03/35/571650335.db2.gz HTNZSQLIVLCWTA-FQLXRVMXSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000225131898 571650347 /nfs/dbraw/zinc/65/03/47/571650347.db2.gz SLDTYPFLEXHJPP-NSOVKSMOSA-N 0 0 560.123 6.620 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000225131784 571650357 /nfs/dbraw/zinc/65/03/57/571650357.db2.gz SLDTYPFLEXHJPP-VSGBNLITSA-N 0 0 560.123 6.620 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135508 571650638 /nfs/dbraw/zinc/65/06/38/571650638.db2.gz ZAZXMPRHAXVDQU-BVRKHOPBSA-N 0 0 586.205 7.785 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225145884 571651924 /nfs/dbraw/zinc/65/19/24/571651924.db2.gz DHRVVRYOWFFQRZ-FQLXRVMXSA-N 0 0 602.160 6.701 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225146058 571651977 /nfs/dbraw/zinc/65/19/77/571651977.db2.gz VKXHCGQHUYWZRB-WDYNHAJCSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000225150567 571652466 /nfs/dbraw/zinc/65/24/66/571652466.db2.gz VITVJWNDRVBHQG-VMPREFPWSA-N 0 0 525.722 6.547 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225151775 571652503 /nfs/dbraw/zinc/65/25/03/571652503.db2.gz IEYGCCPGLBLJMW-NSOVKSMOSA-N 0 0 510.667 5.718 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225153554 571652716 /nfs/dbraw/zinc/65/27/16/571652716.db2.gz QINNIEKSNABSDI-FQLXRVMXSA-N 0 0 560.123 6.682 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225156659 571652985 /nfs/dbraw/zinc/65/29/85/571652985.db2.gz IKOSZURZUYUDAR-URLMMPGGSA-N 0 0 509.679 6.323 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225157986 571653094 /nfs/dbraw/zinc/65/30/94/571653094.db2.gz QDZXQSVSHWXPNI-WDYNHAJCSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225159002 571653187 /nfs/dbraw/zinc/65/31/87/571653187.db2.gz YKXOAVWZLUKVHK-VMPREFPWSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225158871 571653192 /nfs/dbraw/zinc/65/31/92/571653192.db2.gz OEFZQZQNOBXPPC-WDYNHAJCSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225159042 571653196 /nfs/dbraw/zinc/65/31/96/571653196.db2.gz YKXOAVWZLUKVHK-WDYNHAJCSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225159290 571653217 /nfs/dbraw/zinc/65/32/17/571653217.db2.gz OIHRECLZMSIGFA-FQLXRVMXSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225159422 571653225 /nfs/dbraw/zinc/65/32/25/571653225.db2.gz UTZDYZJQHRFAQI-URLMMPGGSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225161577 571653472 /nfs/dbraw/zinc/65/34/72/571653472.db2.gz ZKZJRDIWMQJXFK-SMCANUKXSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225162921 571653549 /nfs/dbraw/zinc/65/35/49/571653549.db2.gz SPUTUNBSGXTJLF-LOYHVIPDSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225162794 571653575 /nfs/dbraw/zinc/65/35/75/571653575.db2.gz SPUTUNBSGXTJLF-KYJUHHDHSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225163253 571653619 /nfs/dbraw/zinc/65/36/19/571653619.db2.gz FLZCZQAORBCGTR-LOYHVIPDSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1C ZINC000225163520 571653621 /nfs/dbraw/zinc/65/36/21/571653621.db2.gz WBZNIQGHSIMDRH-BHYZAODMSA-N 0 0 551.760 7.194 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225174341 571654549 /nfs/dbraw/zinc/65/45/49/571654549.db2.gz BHVPGTAHFVREDQ-KYJUHHDHSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000225180095 571655177 /nfs/dbraw/zinc/65/51/77/571655177.db2.gz LJVJCAFFNUOIGM-WUFINQPMSA-N 0 0 526.666 5.418 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC ZINC000225186684 571655875 /nfs/dbraw/zinc/65/58/75/571655875.db2.gz DMMYNOARRHUTCB-VMPREFPWSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC ZINC000225186558 571655882 /nfs/dbraw/zinc/65/58/82/571655882.db2.gz XCLUROUUQAOQAN-WDYNHAJCSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1OC ZINC000225187143 571655940 /nfs/dbraw/zinc/65/59/40/571655940.db2.gz KBMYQWYYEKTZON-FQLXRVMXSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1OC ZINC000225188801 571656064 /nfs/dbraw/zinc/65/60/64/571656064.db2.gz FUIIOUYGBVXFLG-IOWSJCHKSA-N 0 0 568.747 6.089 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1OC ZINC000225190820 571656297 /nfs/dbraw/zinc/65/62/97/571656297.db2.gz PPKZNRIEZMNOBW-KYJUHHDHSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1OC ZINC000225191476 571656402 /nfs/dbraw/zinc/65/64/02/571656402.db2.gz IQWDWYUYUQQPEI-LOYHVIPDSA-N 0 0 590.149 6.685 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1OC ZINC000225192226 571656468 /nfs/dbraw/zinc/65/64/68/571656468.db2.gz ZJLQPMZROLBLJM-VMPREFPWSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1OC ZINC000225202405 571657463 /nfs/dbraw/zinc/65/74/63/571657463.db2.gz XKSMFRQPQCDMTI-XZWHSSHBSA-N 0 0 583.714 5.810 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1OC ZINC000225202777 571657496 /nfs/dbraw/zinc/65/74/96/571657496.db2.gz LXSZXNNAVWYQRN-LOYHVIPDSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000225210057 571658277 /nfs/dbraw/zinc/65/82/77/571658277.db2.gz XBXZQCSUPVGKMW-WUFINQPMSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000225212816 571658466 /nfs/dbraw/zinc/65/84/66/571658466.db2.gz CMBNJIWGHRTHQB-ROJLCIKYSA-N 0 0 561.711 6.404 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000225213675 571658488 /nfs/dbraw/zinc/65/84/88/571658488.db2.gz QWCYHHMFWYQOOQ-FQLXRVMXSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000225213245 571658506 /nfs/dbraw/zinc/65/85/06/571658506.db2.gz RHUNMTDDMHOUTG-IZLXSDGUSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000225213283 571658512 /nfs/dbraw/zinc/65/85/12/571658512.db2.gz RHUNMTDDMHOUTG-WUFINQPMSA-N 0 0 511.651 5.251 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225214343 571658628 /nfs/dbraw/zinc/65/86/28/571658628.db2.gz RJKYSJNRLCZGRW-KYJUHHDHSA-N 0 0 539.705 5.814 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225214259 571658633 /nfs/dbraw/zinc/65/86/33/571658633.db2.gz RJKYSJNRLCZGRW-IHLOFXLRSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000225215167 571658718 /nfs/dbraw/zinc/65/87/18/571658718.db2.gz SEFMZYQTGMICNQ-WUFINQPMSA-N 0 0 546.096 5.905 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217341 571658958 /nfs/dbraw/zinc/65/89/58/571658958.db2.gz AXGLTJBANHXVTG-ROJLCIKYSA-N 0 0 582.774 6.097 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000225219523 571659242 /nfs/dbraw/zinc/65/92/42/571659242.db2.gz JXMRNYRZQGEIFV-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000225230439 571660451 /nfs/dbraw/zinc/66/04/51/571660451.db2.gz RYMCILREKVRPJI-WDYNHAJCSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000225237905 571661234 /nfs/dbraw/zinc/66/12/34/571661234.db2.gz XXXQPPKOEAHLHJ-NSOVKSMOSA-N 0 0 596.540 6.264 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000225241604 571661637 /nfs/dbraw/zinc/66/16/37/571661637.db2.gz FBOSPDZVLJNGDA-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000225241443 571661655 /nfs/dbraw/zinc/66/16/55/571661655.db2.gz FXQUNLBEDAZDQN-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000225242876 571661788 /nfs/dbraw/zinc/66/17/88/571661788.db2.gz IIDGXWGEAKFSAN-NSOVKSMOSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000225244040 571661932 /nfs/dbraw/zinc/66/19/32/571661932.db2.gz ZDRKZXPJFIOTEO-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000225244843 571662002 /nfs/dbraw/zinc/66/20/02/571662002.db2.gz GPVOGLWATKKZHE-IHLOFXLRSA-N 0 0 589.165 5.971 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000225245140 571662070 /nfs/dbraw/zinc/66/20/70/571662070.db2.gz RSMREKUSXDDLFJ-NSOVKSMOSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000225245941 571662124 /nfs/dbraw/zinc/66/21/24/571662124.db2.gz QWTXATKFFKBKGI-KYJUHHDHSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000225245804 571662130 /nfs/dbraw/zinc/66/21/30/571662130.db2.gz AVCIFKBBQDUPHV-DGPALRBDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000225246769 571662201 /nfs/dbraw/zinc/66/22/01/571662201.db2.gz MUEUKYBPKBPLQR-WDYNHAJCSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000225247397 571662270 /nfs/dbraw/zinc/66/22/70/571662270.db2.gz YXFJWMZLPKHNCC-VMPREFPWSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000225248062 571662319 /nfs/dbraw/zinc/66/23/19/571662319.db2.gz NSBGADBACLUCMF-IZLXSDGUSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000225247758 571662337 /nfs/dbraw/zinc/66/23/37/571662337.db2.gz NRDANOOPJLBGMV-IZLXSDGUSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000225257358 571663350 /nfs/dbraw/zinc/66/33/50/571663350.db2.gz IVOROEWYECIKKX-NSOVKSMOSA-N 0 0 562.095 5.605 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000225258058 571663433 /nfs/dbraw/zinc/66/34/33/571663433.db2.gz JGUFMEXTCQVDTB-WDYNHAJCSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225261507 571663829 /nfs/dbraw/zinc/66/38/29/571663829.db2.gz QCRZNHSHGGYMNT-CZNDPXEESA-N 0 0 610.784 5.396 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225267479 571664546 /nfs/dbraw/zinc/66/45/46/571664546.db2.gz PPRQLVLIUKUGAT-WDYNHAJCSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225268119 571664668 /nfs/dbraw/zinc/66/46/68/571664668.db2.gz WPUBMQHYFNMYAB-URLMMPGGSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225269368 571664830 /nfs/dbraw/zinc/66/48/30/571664830.db2.gz SSPGSXDTPLPMHX-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225270280 571664922 /nfs/dbraw/zinc/66/49/22/571664922.db2.gz WBIHFNHDXSEWPN-XZWHSSHBSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225270473 571664990 /nfs/dbraw/zinc/66/49/90/571664990.db2.gz NBACDUAQUABRMR-LOYHVIPDSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225271779 571665147 /nfs/dbraw/zinc/66/51/47/571665147.db2.gz YNDRDJFYOIJDQQ-FIRIVFDPSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225273235 571665282 /nfs/dbraw/zinc/66/52/82/571665282.db2.gz JHZHXKIWYCDEOR-XZWHSSHBSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225283787 571666335 /nfs/dbraw/zinc/66/63/35/571666335.db2.gz IFZZBWHSHSLKEP-FQLXRVMXSA-N 0 0 541.677 5.260 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225295266 571667769 /nfs/dbraw/zinc/66/77/69/571667769.db2.gz CHHZHKZYNSLYRU-JSOSNVBQSA-N 0 0 569.731 5.822 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225295116 571667798 /nfs/dbraw/zinc/66/77/98/571667798.db2.gz RFZDQRYFEPGDAV-JSOSNVBQSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1OC ZINC000225296150 571667976 /nfs/dbraw/zinc/66/79/76/571667976.db2.gz OXRYWCOKGBVWSI-URLMMPGGSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)ccc1OC ZINC000225296465 571668043 /nfs/dbraw/zinc/66/80/43/571668043.db2.gz KENXDPNFDUFTGV-KYJUHHDHSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1OC ZINC000225298294 571668338 /nfs/dbraw/zinc/66/83/38/571668338.db2.gz PRHCIYMBOILQRF-WDYNHAJCSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1OC ZINC000225298210 571668348 /nfs/dbraw/zinc/66/83/48/571668348.db2.gz AQUIIMBXYXWTHP-FQLXRVMXSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1OC ZINC000225298461 571668357 /nfs/dbraw/zinc/66/83/57/571668357.db2.gz AIDCVRDNMQJVJG-IOWSJCHKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1OC ZINC000225298720 571668421 /nfs/dbraw/zinc/66/84/21/571668421.db2.gz WPHGMZRHNLDIBO-VEEOACQBSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1OC ZINC000225299525 571668492 /nfs/dbraw/zinc/66/84/92/571668492.db2.gz RGQYTLCXXJBYKD-XZWHSSHBSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1OC ZINC000225300080 571668570 /nfs/dbraw/zinc/66/85/70/571668570.db2.gz GMBACOCPLWGBPP-KYJUHHDHSA-N 0 0 606.148 5.922 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225300382 571668623 /nfs/dbraw/zinc/66/86/23/571668623.db2.gz JMBIVPPQKKQVLG-XLJNKUFUSA-N 0 0 583.758 6.131 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)ccc1OC ZINC000225309170 571669761 /nfs/dbraw/zinc/66/97/61/571669761.db2.gz ZVIBLAFVQMRZPG-LOYHVIPDSA-N 0 0 599.713 5.046 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)ccc1OC ZINC000225309155 571669802 /nfs/dbraw/zinc/66/98/02/571669802.db2.gz ZVIBLAFVQMRZPG-XZWHSSHBSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NC(C)=O ZINC000225311864 571670434 /nfs/dbraw/zinc/67/04/34/571670434.db2.gz JNOLQYHLIHSRQS-NSOVKSMOSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NC(C)=O ZINC000225313801 571670848 /nfs/dbraw/zinc/67/08/48/571670848.db2.gz QMQFONNFIZGEMB-SXOMAYOGSA-N 0 0 512.639 5.028 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NC(C)=O ZINC000225313772 571670856 /nfs/dbraw/zinc/67/08/56/571670856.db2.gz QMQFONNFIZGEMB-SVBPBHIXSA-N 0 0 512.639 5.028 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NC(C)=O ZINC000225318073 571672086 /nfs/dbraw/zinc/67/20/86/571672086.db2.gz IUBSBZSNTMBFGF-NSOVKSMOSA-N 0 0 511.651 5.633 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NC(C)=O ZINC000225317686 571672137 /nfs/dbraw/zinc/67/21/37/571672137.db2.gz RGNPLZAKCOHFQF-AJQTZOPKSA-N 0 0 561.711 6.786 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NC(C)=O ZINC000225319350 571673244 /nfs/dbraw/zinc/67/32/44/571673244.db2.gz LVRUXXPGWYQLKZ-NSOVKSMOSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NC(C)=O ZINC000225319396 571673267 /nfs/dbraw/zinc/67/32/67/571673267.db2.gz LVRUXXPGWYQLKZ-WUFINQPMSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NC(C)=O ZINC000225319832 571674301 /nfs/dbraw/zinc/67/43/01/571674301.db2.gz NZWFKGWPQAWDHD-WUFINQPMSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NC(C)=O ZINC000225321943 571677578 /nfs/dbraw/zinc/67/75/78/571677578.db2.gz MPFNQBLVWMGYAF-WDYNHAJCSA-N 0 0 555.660 5.362 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NC(C)=O ZINC000225322701 571678483 /nfs/dbraw/zinc/67/84/83/571678483.db2.gz GAFUSVJLPMIGMK-VMPREFPWSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NC(C)=O ZINC000225323722 571679460 /nfs/dbraw/zinc/67/94/60/571679460.db2.gz DZYIZTFDDJQEQC-KAYWLYCHSA-N 0 0 526.666 5.337 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000225332520 571690520 /nfs/dbraw/zinc/69/05/20/571690520.db2.gz AODOJXVHNARUEO-VSGBNLITSA-N 0 0 527.650 5.333 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225332730 571691017 /nfs/dbraw/zinc/69/10/17/571691017.db2.gz OQKUWKIGCMPQSB-VMPREFPWSA-N 0 0 569.687 5.420 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225343529 571702802 /nfs/dbraw/zinc/70/28/02/571702802.db2.gz SEQGNROXCINALJ-KYJUHHDHSA-N 0 0 510.707 7.016 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225343653 571702973 /nfs/dbraw/zinc/70/29/73/571702973.db2.gz HYDCHMUHWZICRB-XZWHSSHBSA-N 0 0 510.707 7.016 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1F ZINC000225343835 571703368 /nfs/dbraw/zinc/70/33/68/571703368.db2.gz OCPHJFDVSGDMSK-NSOVKSMOSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225344312 571704189 /nfs/dbraw/zinc/70/41/89/571704189.db2.gz ZGAWIXQTPBZQAA-IZLXSDGUSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225344709 571704665 /nfs/dbraw/zinc/70/46/65/571704665.db2.gz XNFXFYAMNQHDHD-VSGBNLITSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225346203 571706300 /nfs/dbraw/zinc/70/63/00/571706300.db2.gz UUBOIICNCPAODA-XZWHSSHBSA-N 0 0 525.722 6.519 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346407 571706333 /nfs/dbraw/zinc/70/63/33/571706333.db2.gz HVPQXZLHDVPVLY-ACHIHNKUSA-N 0 0 553.776 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225346572 571706393 /nfs/dbraw/zinc/70/63/93/571706393.db2.gz YHYAFIJHPRRQCC-NSOVKSMOSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225347696 571708255 /nfs/dbraw/zinc/70/82/55/571708255.db2.gz GRWYIAJWORPCSD-SMCANUKXSA-N 0 0 524.734 7.379 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348967 571710162 /nfs/dbraw/zinc/71/01/62/571710162.db2.gz YDFGJOCMXPQJIR-IGYGKHONSA-N 0 0 524.734 7.324 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1 ZINC000225368493 571732930 /nfs/dbraw/zinc/73/29/30/571732930.db2.gz SESRJJNCOIKUDP-LOYHVIPDSA-N 0 0 508.691 6.988 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225369342 571733898 /nfs/dbraw/zinc/73/38/98/571733898.db2.gz ZKCZLDVIBSNJKQ-ACHIHNKUSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225369846 571734578 /nfs/dbraw/zinc/73/45/78/571734578.db2.gz XOXDCGQWSNDCFP-LOYHVIPDSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1F ZINC000225369577 571734631 /nfs/dbraw/zinc/73/46/31/571734631.db2.gz MMKWJOOZCKLMLM-IHLOFXLRSA-N 0 0 526.681 7.127 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225371238 571736081 /nfs/dbraw/zinc/73/60/81/571736081.db2.gz YSEYGLUDCDCOEY-FIRIVFDPSA-N 0 0 538.717 6.996 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225371416 571736841 /nfs/dbraw/zinc/73/68/41/571736841.db2.gz ISDMIVGFQDESLY-JSOSNVBQSA-N 0 0 538.717 6.996 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225372436 571737924 /nfs/dbraw/zinc/73/79/24/571737924.db2.gz KHZWVKNZTIQQID-IHLOFXLRSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225372726 571738401 /nfs/dbraw/zinc/73/84/01/571738401.db2.gz XNYASLQIDIWCJM-ZWXJPIIXSA-N 0 0 536.745 7.604 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374472 571740492 /nfs/dbraw/zinc/74/04/92/571740492.db2.gz RHTPQMARNIISSY-ZQWAWDFXSA-N 0 0 550.772 7.858 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374567 571740605 /nfs/dbraw/zinc/74/06/05/571740605.db2.gz RHTPQMARNIISSY-WEZIJMHWSA-N 0 0 550.772 7.858 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851198 571751324 /nfs/dbraw/zinc/75/13/24/571751324.db2.gz IUKGOJHBYGVXQE-IZLXSDGUSA-N 0 0 564.130 6.507 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260851267 571751387 /nfs/dbraw/zinc/75/13/87/571751387.db2.gz KZMDHVKFMZJDBZ-WUFINQPMSA-N 0 0 546.140 6.368 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225392682 571761837 /nfs/dbraw/zinc/76/18/37/571761837.db2.gz KXGLVEXADJETNH-XZWHSSHBSA-N 0 0 567.740 6.191 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225394156 571763361 /nfs/dbraw/zinc/76/33/61/571763361.db2.gz QLLYKSGFCYXUII-WUFINQPMSA-N 0 0 545.734 5.600 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225394199 571763452 /nfs/dbraw/zinc/76/34/52/571763452.db2.gz QLLYKSGFCYXUII-NSOVKSMOSA-N 0 0 545.734 5.600 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225398294 571768160 /nfs/dbraw/zinc/76/81/60/571768160.db2.gz OUJZPEWDETZOIG-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225416732 571783620 /nfs/dbraw/zinc/78/36/20/571783620.db2.gz FBSWHWWMSJCZEO-SVBPBHIXSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225416858 571783978 /nfs/dbraw/zinc/78/39/78/571783978.db2.gz FBSWHWWMSJCZEO-KAYWLYCHSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225420932 571788205 /nfs/dbraw/zinc/78/82/05/571788205.db2.gz YFJJSIFPEIXQFZ-SXOMAYOGSA-N 0 0 598.150 5.405 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NS(C)(=O)=O ZINC000225423828 571789795 /nfs/dbraw/zinc/78/97/95/571789795.db2.gz ZKVNLXLYFFSWLL-IOWSJCHKSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NS(C)(=O)=O ZINC000225423756 571789918 /nfs/dbraw/zinc/78/99/18/571789918.db2.gz ZKVNLXLYFFSWLL-CONSDPRKSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225424460 571790485 /nfs/dbraw/zinc/79/04/85/571790485.db2.gz YGVVXGKUSKWEER-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NS(C)(=O)=O ZINC000225425449 571791434 /nfs/dbraw/zinc/79/14/34/571791434.db2.gz QNTOMNGWLMOERT-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427331 571793888 /nfs/dbraw/zinc/79/38/88/571793888.db2.gz UARNNQQUZUKWCF-IZLXSDGUSA-N 0 0 577.732 5.055 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428284 571795242 /nfs/dbraw/zinc/79/52/42/571795242.db2.gz PTVYNSPXEIHDPG-FIRIVFDPSA-N 0 0 618.829 5.893 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428387 571795816 /nfs/dbraw/zinc/79/58/16/571795816.db2.gz PTVYNSPXEIHDPG-CONSDPRKSA-N 0 0 618.829 5.893 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428431 571795825 /nfs/dbraw/zinc/79/58/25/571795825.db2.gz SGXCGGCVCQTPQV-SVBPBHIXSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225429810 571797465 /nfs/dbraw/zinc/79/74/65/571797465.db2.gz KEOSFBZEJYAGDZ-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430952 571798323 /nfs/dbraw/zinc/79/83/23/571798323.db2.gz MCBAEDRELUNCAC-WUFINQPMSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225431349 571798986 /nfs/dbraw/zinc/79/89/86/571798986.db2.gz SMCJFULAOUJGQR-VSGBNLITSA-N 0 0 612.177 5.708 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431572 571799472 /nfs/dbraw/zinc/79/94/72/571799472.db2.gz ZFGKCQBXHVDVHA-PQHLKRTFSA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225446037 571818043 /nfs/dbraw/zinc/81/80/43/571818043.db2.gz XVKHDIINHVKJQG-RRPNLBNLSA-N 0 0 599.704 6.365 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225453634 571824946 /nfs/dbraw/zinc/82/49/46/571824946.db2.gz KZCQOJZFUGYRME-URLMMPGGSA-N 0 0 559.761 5.909 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225453474 571825036 /nfs/dbraw/zinc/82/50/36/571825036.db2.gz COQGIBGNXRPPOH-URLMMPGGSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1F ZINC000225453798 571825725 /nfs/dbraw/zinc/82/57/25/571825725.db2.gz FIOJVGRWVVFELL-RRPNLBNLSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225454953 571826663 /nfs/dbraw/zinc/82/66/63/571826663.db2.gz ICUFTRKJZNBVRV-SVBPBHIXSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225454845 571826766 /nfs/dbraw/zinc/82/67/66/571826766.db2.gz ICUFTRKJZNBVRV-KAYWLYCHSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225455769 571827085 /nfs/dbraw/zinc/82/70/85/571827085.db2.gz VUJMLVZQJQSBGB-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225456342 571828050 /nfs/dbraw/zinc/82/80/50/571828050.db2.gz BIUPLBNGOZPFFL-WDYNHAJCSA-N 0 0 574.776 5.412 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225456645 571828259 /nfs/dbraw/zinc/82/82/59/571828259.db2.gz JMYLMSYVQXULFT-SXOMAYOGSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225456824 571828753 /nfs/dbraw/zinc/82/87/53/571828753.db2.gz FREZNBKSVNPATF-RRPNLBNLSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225457322 571829166 /nfs/dbraw/zinc/82/91/66/571829166.db2.gz ANHCEASDDYSABP-YTMVLYRLSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225458142 571830040 /nfs/dbraw/zinc/83/00/40/571830040.db2.gz PYSPAFDZTFLASI-NSOVKSMOSA-N 0 0 580.179 6.308 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000260911694 571840426 /nfs/dbraw/zinc/84/04/26/571840426.db2.gz CTRLHHSOFRMSMV-HBFWWTAJSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000260912103 571841106 /nfs/dbraw/zinc/84/11/06/571841106.db2.gz FBJFEZBNKXIRET-BAGWDXEUSA-N 0 0 588.196 7.941 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NS(C)(=O)=O ZINC000225472286 571842337 /nfs/dbraw/zinc/84/23/37/571842337.db2.gz XCRUSCUGJQLYCK-RRPNLBNLSA-N 0 0 615.703 6.065 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260914210 571844379 /nfs/dbraw/zinc/84/43/79/571844379.db2.gz GBISXMSNDUHQMU-IOWSJCHKSA-N 0 0 532.713 7.683 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000260914845 571845111 /nfs/dbraw/zinc/84/51/11/571845111.db2.gz HOUFKIORZSIURR-KBGNPAQCSA-N 0 0 655.312 7.639 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000260914924 571845145 /nfs/dbraw/zinc/84/51/45/571845145.db2.gz HVOPPSOHSSWQET-GAZXMLTASA-N 0 0 501.483 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000260914856 571845178 /nfs/dbraw/zinc/84/51/78/571845178.db2.gz HOUFKIORZSIURR-PRGAFZJDSA-N 0 0 655.312 7.639 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NS(C)(=O)=O ZINC000225478509 571848449 /nfs/dbraw/zinc/84/84/49/571848449.db2.gz BFBSIXBWZUYCQO-FIRIVFDPSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225479366 571849429 /nfs/dbraw/zinc/84/94/29/571849429.db2.gz HXVCDNHPJWLRHL-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225479842 571849979 /nfs/dbraw/zinc/84/99/79/571849979.db2.gz OEMINCLPDDPBPH-URLMMPGGSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480237 571850496 /nfs/dbraw/zinc/85/04/96/571850496.db2.gz UNWVDXGBZWTDFM-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NS(C)(=O)=O ZINC000225481038 571851138 /nfs/dbraw/zinc/85/11/38/571851138.db2.gz WKARQMOPCBQUHS-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000260917968 571851601 /nfs/dbraw/zinc/85/16/01/571851601.db2.gz KHEHUXLAUQWOJY-XPTBSDKWSA-N 0 0 613.275 7.868 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260919693 571853667 /nfs/dbraw/zinc/85/36/67/571853667.db2.gz MUEDWGGWYQCFCU-RPBOFIJWSA-N 0 0 519.512 6.653 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NS(C)(=O)=O ZINC000225483367 571853822 /nfs/dbraw/zinc/85/38/22/571853822.db2.gz QUYQFUIKLBKFMG-JDXGNMNLSA-N 0 0 589.787 5.972 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NS(C)(=O)=O ZINC000225483531 571854117 /nfs/dbraw/zinc/85/41/17/571854117.db2.gz WRJKGWUDXRZEOX-VSGBNLITSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260922599 571859817 /nfs/dbraw/zinc/85/98/17/571859817.db2.gz QIXYXNYDQJWNBJ-RRPNLBNLSA-N 0 0 519.114 6.548 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000260922636 571859863 /nfs/dbraw/zinc/85/98/63/571859863.db2.gz QWIUANXHIXVRDZ-NMJLAGONSA-N 0 0 612.287 8.727 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000260922764 571859873 /nfs/dbraw/zinc/85/98/73/571859873.db2.gz ROQSMTCVYWHLSL-BAGWDXEUSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000260925491 571864561 /nfs/dbraw/zinc/86/45/61/571864561.db2.gz UPIMPNZCVYCGPQ-WHYVHFBVSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225497440 571866754 /nfs/dbraw/zinc/86/67/54/571866754.db2.gz DZZHDYOBOJIJPT-KAYWLYCHSA-N 0 0 549.622 6.119 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000260926923 571868036 /nfs/dbraw/zinc/86/80/36/571868036.db2.gz WZFASQQZJUXJHI-HBFWWTAJSA-N 0 0 638.203 8.821 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)(C)C ZINC000260926959 571868115 /nfs/dbraw/zinc/86/81/15/571868115.db2.gz XEHCQYMIVPMFJQ-URLMMPGGSA-N 0 0 604.220 7.537 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260927123 571868779 /nfs/dbraw/zinc/86/87/79/571868779.db2.gz YFMZJLXKJZGVNP-IOWSJCHKSA-N 0 0 606.667 8.434 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225505948 571876323 /nfs/dbraw/zinc/87/63/23/571876323.db2.gz UYQVCQPHOXEEBT-VSGBNLITSA-N 0 0 511.651 5.109 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225507813 571879078 /nfs/dbraw/zinc/87/90/78/571879078.db2.gz WYCNLLMEWVGPOI-VMPREFPWSA-N 0 0 509.679 5.717 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509094 571880547 /nfs/dbraw/zinc/88/05/47/571880547.db2.gz SWQOSSJOEBBVJR-IZLXSDGUSA-N 0 0 556.648 5.017 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225521955 571890375 /nfs/dbraw/zinc/89/03/75/571890375.db2.gz VMKSIYRVNDZOPV-WUFINQPMSA-N 0 0 563.649 6.509 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C ZINC000225527807 571894493 /nfs/dbraw/zinc/89/44/93/571894493.db2.gz CZXYXLWJCVCKDX-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225528384 571894938 /nfs/dbraw/zinc/89/49/38/571894938.db2.gz HSCOCEOMPDZZCV-XZWHSSHBSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225528365 571895090 /nfs/dbraw/zinc/89/50/90/571895090.db2.gz HSCOCEOMPDZZCV-IHLOFXLRSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225528905 571895548 /nfs/dbraw/zinc/89/55/48/571895548.db2.gz ZXFUJOMMVYOJKQ-IZLXSDGUSA-N 0 0 530.097 6.144 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225529594 571896597 /nfs/dbraw/zinc/89/65/97/571896597.db2.gz MSNIDYGFFDPRKA-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225530044 571896780 /nfs/dbraw/zinc/89/67/80/571896780.db2.gz RBFYQGBKFORTAE-XZWHSSHBSA-N 0 0 538.721 5.556 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225531002 571897728 /nfs/dbraw/zinc/89/77/28/571897728.db2.gz JHMAZXLRDDJYHM-BVRKHOPBSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225539533 571904888 /nfs/dbraw/zinc/90/48/88/571904888.db2.gz MSNYMSSTYUFCPQ-IZLXSDGUSA-N 0 0 511.651 5.191 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225542433 571907194 /nfs/dbraw/zinc/90/71/94/571907194.db2.gz XVGLUQITADCVPC-HEVIKAOCSA-N 0 0 608.812 5.889 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225542511 571907228 /nfs/dbraw/zinc/90/72/28/571907228.db2.gz XVGLUQITADCVPC-KKLWWLSJSA-N 0 0 608.812 5.889 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000225543962 571908682 /nfs/dbraw/zinc/90/86/82/571908682.db2.gz NNCSMTUQJRXIID-URLMMPGGSA-N 0 0 524.694 5.448 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225551145 571914228 /nfs/dbraw/zinc/91/42/28/571914228.db2.gz BAIZUAVBOLPZOV-ZWXJPIIXSA-N 0 0 566.775 6.119 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225552635 571915917 /nfs/dbraw/zinc/91/59/17/571915917.db2.gz LZUWZTAJBIFTMX-JSOSNVBQSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225553871 571916428 /nfs/dbraw/zinc/91/64/28/571916428.db2.gz QEJUQEQTOBIDAC-KYJUHHDHSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000225561484 571923552 /nfs/dbraw/zinc/92/35/52/571923552.db2.gz DCCXNILTLAAVQN-LOYHVIPDSA-N 0 0 539.705 5.753 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225564587 571926279 /nfs/dbraw/zinc/92/62/79/571926279.db2.gz CKXVNKRYTDXAOT-CZNDPXEESA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000225569575 571931376 /nfs/dbraw/zinc/93/13/76/571931376.db2.gz VQRHAHXYUNBUOT-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000225569690 571931728 /nfs/dbraw/zinc/93/17/28/571931728.db2.gz MRCYXRZTORXTGU-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1F ZINC000225570334 571931865 /nfs/dbraw/zinc/93/18/65/571931865.db2.gz ZUNBREMQQFWIRE-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225570233 571931986 /nfs/dbraw/zinc/93/19/86/571931986.db2.gz APPDSYAPYHOJPK-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225570928 571932378 /nfs/dbraw/zinc/93/23/78/571932378.db2.gz VXAGTIKESYBYQV-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1O ZINC000225571475 571932767 /nfs/dbraw/zinc/93/27/67/571932767.db2.gz NJEYUYJAJPTRAL-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225571629 571932925 /nfs/dbraw/zinc/93/29/25/571932925.db2.gz BEUXEOHXPQKXJL-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225573282 571934040 /nfs/dbraw/zinc/93/40/40/571934040.db2.gz OKYMYWPVBOPWDQ-SMCANUKXSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225574152 571934693 /nfs/dbraw/zinc/93/46/93/571934693.db2.gz VKZRFHITIIIXNB-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225574018 571934756 /nfs/dbraw/zinc/93/47/56/571934756.db2.gz FERRFALKVFBRQI-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574561 571935103 /nfs/dbraw/zinc/93/51/03/571935103.db2.gz LDVRSMGIQKBIGT-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000225582224 571941240 /nfs/dbraw/zinc/94/12/40/571941240.db2.gz YCCDGMGXWCKHGO-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225582400 571941556 /nfs/dbraw/zinc/94/15/56/571941556.db2.gz YMOBNUONGXZGKT-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225584576 571943044 /nfs/dbraw/zinc/94/30/44/571943044.db2.gz RQBOCZUNICNQSV-VSGBNLITSA-N 0 0 581.639 6.648 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225590549 571946804 /nfs/dbraw/zinc/94/68/04/571946804.db2.gz MJBICSNVHJJENA-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Cl ZINC000225591338 571947440 /nfs/dbraw/zinc/94/74/40/571947440.db2.gz RGJJWLIHZSCQFR-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225593796 571949399 /nfs/dbraw/zinc/94/93/99/571949399.db2.gz FPWWWONUEVNYLA-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1C ZINC000225593656 571949413 /nfs/dbraw/zinc/94/94/13/571949413.db2.gz RVEJBNDTUDDNBC-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225594281 571949650 /nfs/dbraw/zinc/94/96/50/571949650.db2.gz LHCPXEGSOWCIAI-VEEOACQBSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225594475 571949968 /nfs/dbraw/zinc/94/99/68/571949968.db2.gz JYFBJXFUZZLLFT-VMPREFPWSA-N 0 0 562.114 6.591 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225594893 571949979 /nfs/dbraw/zinc/94/99/79/571949979.db2.gz MUMJFCDALZHVSR-VMPREFPWSA-N 0 0 562.114 6.591 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225594808 571950017 /nfs/dbraw/zinc/95/00/17/571950017.db2.gz MUMJFCDALZHVSR-FQLXRVMXSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595094 571950350 /nfs/dbraw/zinc/95/03/50/571950350.db2.gz LFVNBGBBOLXUAX-WDYNHAJCSA-N 0 0 578.113 6.292 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225595589 571950704 /nfs/dbraw/zinc/95/07/04/571950704.db2.gz IIGUBJGGIUFVHM-NSOVKSMOSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225606160 571958808 /nfs/dbraw/zinc/95/88/08/571958808.db2.gz SCBAGXVSDLXYTN-ACHIHNKUSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225606131 571958963 /nfs/dbraw/zinc/95/89/63/571958963.db2.gz SCBAGXVSDLXYTN-AJQTZOPKSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc2ccccc21 ZINC000225610423 571962635 /nfs/dbraw/zinc/96/26/35/571962635.db2.gz PJQIALNIHGZDKL-ACHIHNKUSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F ZINC000225611435 571963364 /nfs/dbraw/zinc/96/33/64/571963364.db2.gz UASWHIVDWBEJAX-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225612891 571964702 /nfs/dbraw/zinc/96/47/02/571964702.db2.gz CKWOFIIPNFOYKD-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1C ZINC000225613914 571965238 /nfs/dbraw/zinc/96/52/38/571965238.db2.gz SLQAZLLABCBCHY-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000225613642 571965253 /nfs/dbraw/zinc/96/52/53/571965253.db2.gz XYTUQJBGGHBICL-WUFINQPMSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccc1C ZINC000225614082 571965259 /nfs/dbraw/zinc/96/52/59/571965259.db2.gz YGQRIQMSLDDGOD-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225614427 571965450 /nfs/dbraw/zinc/96/54/50/571965450.db2.gz CTPUOGXLQPVSNY-WDYNHAJCSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1C ZINC000225614680 571965582 /nfs/dbraw/zinc/96/55/82/571965582.db2.gz VZKCHVLNJOHFGH-WDYNHAJCSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615263 571965912 /nfs/dbraw/zinc/96/59/12/571965912.db2.gz XNNHHLBYNKVDEB-FQLXRVMXSA-N 0 0 578.113 6.292 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000225614923 571965914 /nfs/dbraw/zinc/96/59/14/571965914.db2.gz ZPCZQMFYJKGPBH-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000225626737 571978315 /nfs/dbraw/zinc/97/83/15/571978315.db2.gz ZVEQEDWDCJWLHZ-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225626790 571978835 /nfs/dbraw/zinc/97/88/35/571978835.db2.gz BRWQDVIYSSTTBP-KYJUHHDHSA-N 0 0 574.150 6.466 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1F ZINC000225629533 571981480 /nfs/dbraw/zinc/98/14/80/571981480.db2.gz KUDXTSYKTFRNFE-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1F ZINC000225629508 571981500 /nfs/dbraw/zinc/98/15/00/571981500.db2.gz KUDXTSYKTFRNFE-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Br ZINC000225630172 571982316 /nfs/dbraw/zinc/98/23/16/571982316.db2.gz OFHPNQZCVYJCPD-KYJUHHDHSA-N 0 0 602.602 6.870 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225630651 571982910 /nfs/dbraw/zinc/98/29/10/571982910.db2.gz JABYQRBTWIIPOP-FIRIVFDPSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225632227 571984148 /nfs/dbraw/zinc/98/41/48/571984148.db2.gz XPOAGARNPGKMAX-CQTOTRCISA-N 0 0 565.787 7.033 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225632582 571984522 /nfs/dbraw/zinc/98/45/22/571984522.db2.gz OGWWFMIJQLFRJP-CONSDPRKSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225633199 571984923 /nfs/dbraw/zinc/98/49/23/571984923.db2.gz VRUAVXSJSGMAME-IHLOFXLRSA-N 0 0 538.721 5.811 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632968 571984950 /nfs/dbraw/zinc/98/49/50/571984950.db2.gz PWWJYWRQXZTCLL-JSOSNVBQSA-N 0 0 598.729 6.024 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225633017 571985003 /nfs/dbraw/zinc/98/50/03/571985003.db2.gz PWWJYWRQXZTCLL-CONSDPRKSA-N 0 0 598.729 6.024 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000225639072 571990470 /nfs/dbraw/zinc/99/04/70/571990470.db2.gz CZHZEQAHTVDJPZ-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000225639047 571990561 /nfs/dbraw/zinc/99/05/61/571990561.db2.gz CZHZEQAHTVDJPZ-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225639286 571990745 /nfs/dbraw/zinc/99/07/45/571990745.db2.gz OKJKKKXVYSJOSH-JSOSNVBQSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C ZINC000225646504 571995669 /nfs/dbraw/zinc/99/56/69/571995669.db2.gz CXNLEVSPLXJTEA-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Cl ZINC000225647415 571995945 /nfs/dbraw/zinc/99/59/45/571995945.db2.gz YCDNOBZSLXWGLU-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225648307 571997268 /nfs/dbraw/zinc/99/72/68/571997268.db2.gz DTNPKZWPLMSFPU-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225648381 571997445 /nfs/dbraw/zinc/99/74/45/571997445.db2.gz DTNPKZWPLMSFPU-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650141 571998417 /nfs/dbraw/zinc/99/84/17/571998417.db2.gz VEBFDUMJBWBPFI-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225650039 571998518 /nfs/dbraw/zinc/99/85/18/571998518.db2.gz IYNONTTYZTUGPU-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225649878 571998572 /nfs/dbraw/zinc/99/85/72/571998572.db2.gz MZZZUBHIXOKLEW-KYJUHHDHSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225649829 571998575 /nfs/dbraw/zinc/99/85/75/571998575.db2.gz MZZZUBHIXOKLEW-IHLOFXLRSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225649937 571998598 /nfs/dbraw/zinc/99/85/98/571998598.db2.gz KQLYYCUQARHVPI-BHYZAODMSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225649956 571998606 /nfs/dbraw/zinc/99/86/06/571998606.db2.gz KQLYYCUQARHVPI-XDFJSJKPSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ncccc1C ZINC000225651069 571999191 /nfs/dbraw/zinc/99/91/91/571999191.db2.gz KFZADVMPGMWAHS-NSOVKSMOSA-N 0 0 524.694 5.502 40 10 KKCBRN C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656484 572003657 /nfs/dbraw/zinc/00/36/57/572003657.db2.gz XXMWOHNTYKGUNK-QHCPKHFHSA-N 0 0 513.751 7.499 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)cc1 ZINC000225657495 572004386 /nfs/dbraw/zinc/00/43/86/572004386.db2.gz GTANBXFTZHAIIB-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225660474 572005587 /nfs/dbraw/zinc/00/55/87/572005587.db2.gz IZFPDNYWJWFAFY-LQJZCPKCSA-N 0 0 610.784 5.336 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225660411 572005742 /nfs/dbraw/zinc/00/57/42/572005742.db2.gz NBUIGFDBAPLNAJ-URLMMPGGSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225661072 572006202 /nfs/dbraw/zinc/00/62/02/572006202.db2.gz MJZXGQWHHTXGFE-VMPREFPWSA-N 0 0 541.721 5.723 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225666914 572009375 /nfs/dbraw/zinc/00/93/75/572009375.db2.gz DEQZSALWPJEJEH-URLMMPGGSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225666463 572009457 /nfs/dbraw/zinc/00/94/57/572009457.db2.gz GEBGVPIHOYPGGA-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225666790 572009472 /nfs/dbraw/zinc/00/94/72/572009472.db2.gz OGFYFHTVJOZRRB-URLMMPGGSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225667557 572009817 /nfs/dbraw/zinc/00/98/17/572009817.db2.gz QTCNKJXSASMCGG-FQLXRVMXSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225667167 572009891 /nfs/dbraw/zinc/00/98/91/572009891.db2.gz RXEULPSFODLTGV-URLMMPGGSA-N 0 0 604.574 6.262 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668436 572010230 /nfs/dbraw/zinc/01/02/30/572010230.db2.gz JWNUXELSCLSRIP-JHOUSYSJSA-N 0 0 596.801 6.345 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225668503 572010341 /nfs/dbraw/zinc/01/03/41/572010341.db2.gz DCZCDHCAGIALGD-VMPREFPWSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225669246 572011288 /nfs/dbraw/zinc/01/12/88/572011288.db2.gz ZITFNPYQDUTKBS-FIRIVFDPSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225670854 572012318 /nfs/dbraw/zinc/01/23/18/572012318.db2.gz YFLDEZOKZDJBOP-FQLXRVMXSA-N 0 0 540.693 5.202 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225678122 572017130 /nfs/dbraw/zinc/01/71/30/572017130.db2.gz LVTDDLJFWDTLLH-XZWHSSHBSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225682898 572020052 /nfs/dbraw/zinc/02/00/52/572020052.db2.gz MKVBLXVPGUXMDE-WDYNHAJCSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000225685130 572021545 /nfs/dbraw/zinc/02/15/45/572021545.db2.gz CQJOSZXZRXAEEB-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000225685052 572021617 /nfs/dbraw/zinc/02/16/17/572021617.db2.gz CQJOSZXZRXAEEB-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225686050 572022575 /nfs/dbraw/zinc/02/25/75/572022575.db2.gz RKBOQAALSOBFHC-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225686499 572022831 /nfs/dbraw/zinc/02/28/31/572022831.db2.gz SGPSCILORVREGM-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1O ZINC000225686580 572023201 /nfs/dbraw/zinc/02/32/01/572023201.db2.gz OIIGIVIBVXBENT-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225686796 572023234 /nfs/dbraw/zinc/02/32/34/572023234.db2.gz KLYKMLBQRXPBAK-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cccc1C ZINC000225687920 572024000 /nfs/dbraw/zinc/02/40/00/572024000.db2.gz MWJXHEKMJLOIJF-VEEOACQBSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225688468 572024380 /nfs/dbraw/zinc/02/43/80/572024380.db2.gz XIAHVRUIOYDHOI-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225688407 572024387 /nfs/dbraw/zinc/02/43/87/572024387.db2.gz XIAHVRUIOYDHOI-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689225 572024746 /nfs/dbraw/zinc/02/47/46/572024746.db2.gz VDRPUFMMMKTIIA-XDFJSJKPSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688989 572024777 /nfs/dbraw/zinc/02/47/77/572024777.db2.gz CBGMOCZFWJWYBR-IHLOFXLRSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225689579 572025323 /nfs/dbraw/zinc/02/53/23/572025323.db2.gz QMMLOOQJGQLXAZ-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225696880 572029161 /nfs/dbraw/zinc/02/91/61/572029161.db2.gz JHGIDKPVFRQOTB-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000225699760 572031146 /nfs/dbraw/zinc/03/11/46/572031146.db2.gz WUVZPDLPPWSFFP-ROJLCIKYSA-N 0 0 561.755 6.868 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C ZINC000225704086 572034819 /nfs/dbraw/zinc/03/48/19/572034819.db2.gz LGPKGJIAQFLPPP-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C ZINC000225704031 572034860 /nfs/dbraw/zinc/03/48/60/572034860.db2.gz LGPKGJIAQFLPPP-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Br ZINC000225705427 572035965 /nfs/dbraw/zinc/03/59/65/572035965.db2.gz ARRXFBLBJUZSGP-AJQTZOPKSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Br)c1 ZINC000225705556 572036228 /nfs/dbraw/zinc/03/62/28/572036228.db2.gz XWNIBFGIVOMKQF-ACHIHNKUSA-N 0 0 624.608 7.406 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706671 572037174 /nfs/dbraw/zinc/03/71/74/572037174.db2.gz IFBOAFPXHNVKDB-XDSPJLLDSA-N 0 0 616.835 7.490 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cccc1C ZINC000225707270 572037601 /nfs/dbraw/zinc/03/76/01/572037601.db2.gz XZEWGJPYRRGRIX-UZNNEEJFSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708382 572038513 /nfs/dbraw/zinc/03/85/13/572038513.db2.gz FFGLEJOGIKOEAY-CZNDPXEESA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cn1 ZINC000225708852 572038870 /nfs/dbraw/zinc/03/88/70/572038870.db2.gz GVLHPWTZSAMFSU-ZWXJPIIXSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ncccc1C ZINC000225708746 572038959 /nfs/dbraw/zinc/03/89/59/572038959.db2.gz GFEYGCIYIADRRZ-JSOSNVBQSA-N 0 0 560.727 6.347 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225715798 572044118 /nfs/dbraw/zinc/04/41/18/572044118.db2.gz PJPQSKPSOSUHGO-LQJZCPKCSA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225750167 572060848 /nfs/dbraw/zinc/06/08/48/572060848.db2.gz IGSNBGSNCHRZBR-NRFANRHFSA-N 0 0 521.708 5.387 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225792733 572069581 /nfs/dbraw/zinc/06/95/81/572069581.db2.gz OFKAJHYZRZKAMI-WOJBJXKFSA-N 0 0 556.153 6.041 40 10 KKCBRN CC1CCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952487 572086323 /nfs/dbraw/zinc/08/63/23/572086323.db2.gz NQGIEWBTISTQKY-UHFFFAOYSA-N 0 0 541.769 5.362 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953809 572086359 /nfs/dbraw/zinc/08/63/59/572086359.db2.gz AKICHEZJESVPEK-FGZHOGPDSA-N 0 0 507.752 5.036 40 10 KKCBRN C[C@@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954186 572087108 /nfs/dbraw/zinc/08/71/08/572087108.db2.gz VEESYYSYBSJYMB-CLJLJLNGSA-N 0 0 584.838 5.372 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000226093414 572134831 /nfs/dbraw/zinc/13/48/31/572134831.db2.gz JPHKTKXYZDYTCN-JFLMPSFJSA-N 0 0 610.982 8.639 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)cc1 ZINC000226863758 572144167 /nfs/dbraw/zinc/14/41/67/572144167.db2.gz GKNWBJIXRNUHGA-GKTLAHRSSA-N 0 0 726.429 8.441 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O ZINC000408526771 572158407 /nfs/dbraw/zinc/15/84/07/572158407.db2.gz CJJGLMHPMYTVDV-KQWNVCNZSA-N 0 0 572.463 5.308 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000229857588 572161617 /nfs/dbraw/zinc/16/16/17/572161617.db2.gz JHQXNEOEUYYGBN-GAKIBJFNSA-N 0 0 576.274 8.078 40 10 KKCBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000408530759 572172964 /nfs/dbraw/zinc/17/29/64/572172964.db2.gz JNUREDYMRJESOL-RAXLEYEMSA-N 0 0 507.809 5.793 40 10 KKCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531293 572175473 /nfs/dbraw/zinc/17/54/73/572175473.db2.gz PGQFQLGMIRDDGS-APSNUPSMSA-N 0 0 607.304 5.126 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000408533495 572183679 /nfs/dbraw/zinc/18/36/79/572183679.db2.gz SQFYEYQZYJLWCC-JDCMOKTRSA-N 0 0 613.762 6.705 40 10 KKCBRN CCCCCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408538686 572199125 /nfs/dbraw/zinc/19/91/25/572199125.db2.gz PCENAUURTPDGJU-UHFFFAOYSA-N 0 0 591.502 7.390 40 10 KKCBRN COc1cc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2)ccc1OCc1ccccc1 ZINC000408538874 572200040 /nfs/dbraw/zinc/20/00/40/572200040.db2.gz CVTNBVSKDPDZAW-CEUNXORHSA-N 0 0 504.586 6.659 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)ccc1OCc1ccccc1 ZINC000408539063 572200386 /nfs/dbraw/zinc/20/03/86/572200386.db2.gz FBBDSWMKFZNOMR-QRQIAZFYSA-N 0 0 627.535 7.821 40 10 KKCBRN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408539079 572200478 /nfs/dbraw/zinc/20/04/78/572200478.db2.gz SLRBCXWSNXWEAN-QYQHSDTDSA-N 0 0 571.685 5.075 40 10 KKCBRN CCCCCCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408539166 572201004 /nfs/dbraw/zinc/20/10/04/572201004.db2.gz ULJVXALUAPQHKK-UHFFFAOYSA-N 0 0 502.998 6.883 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CN=c1[nH]c2cc(Cl)c(Cl)cc2s1 ZINC000408539282 572201391 /nfs/dbraw/zinc/20/13/91/572201391.db2.gz VCGQOYMNJKNAPX-STZFKDTASA-N 0 0 537.516 7.789 40 10 KKCBRN COc1cc(COc2ccc(Cl)cc2/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540508 572206216 /nfs/dbraw/zinc/20/62/16/572206216.db2.gz SQGHPVAWGVRFFH-AFUMVMLFSA-N 0 0 523.010 5.613 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549974 572232877 /nfs/dbraw/zinc/23/28/77/572232877.db2.gz ADTRPQHUWVQVPI-UHFFFAOYSA-N 0 0 664.929 7.646 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408553049 572239882 /nfs/dbraw/zinc/23/98/82/572239882.db2.gz WGHVCOBBIUHRCW-WGOQTCKBSA-N 0 0 550.080 5.985 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)SC2=S)cc1 ZINC000408571877 572257408 /nfs/dbraw/zinc/25/74/08/572257408.db2.gz DAFURPMVCHNEKX-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c(OC)c3)SC2=S)cc1 ZINC000408572202 572257688 /nfs/dbraw/zinc/25/76/88/572257688.db2.gz FPAHZANMIVRCQE-MYYYXRDXSA-N 0 0 627.582 6.897 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)SC2=S)cc1 ZINC000408572253 572257693 /nfs/dbraw/zinc/25/76/93/572257693.db2.gz FWCWBWQYXBROJY-UCQKPKSFSA-N 0 0 506.605 5.127 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c(C)c1 ZINC000408572386 572257753 /nfs/dbraw/zinc/25/77/53/572257753.db2.gz GQTREZYDRXRAQM-IWIPYMOSSA-N 0 0 502.661 6.031 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000408572328 572257760 /nfs/dbraw/zinc/25/77/60/572257760.db2.gz GFUDRRKGVZXALO-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000408572321 572257830 /nfs/dbraw/zinc/25/78/30/572257830.db2.gz GDYJEYOBCXMJHH-QRVIBDJDSA-N 0 0 525.051 5.768 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c(C)c1 ZINC000408572687 572257982 /nfs/dbraw/zinc/25/79/82/572257982.db2.gz HPXVVIOBTCKVAV-IWIPYMOSSA-N 0 0 502.661 6.031 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)SC2=S)cc1 ZINC000408573220 572258625 /nfs/dbraw/zinc/25/86/25/572258625.db2.gz JDRCLSFMEOXDHO-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O ZINC000408573290 572258770 /nfs/dbraw/zinc/25/87/70/572258770.db2.gz JQBGFGXVOOZKPR-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)NCc4ccccc4)c3)SC2=S)cc1 ZINC000408574744 572259826 /nfs/dbraw/zinc/25/98/26/572259826.db2.gz MMXBDHYOOAILGI-JLPGSUDCSA-N 0 0 504.633 5.186 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408576667 572261398 /nfs/dbraw/zinc/26/13/98/572261398.db2.gz QIGGSOQACYJAIJ-UCQKPKSFSA-N 0 0 525.051 5.768 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000408577493 572262054 /nfs/dbraw/zinc/26/20/54/572262054.db2.gz SUGSGEVXKJGFSH-HMAPJEAMSA-N 0 0 559.496 6.815 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000408577630 572262132 /nfs/dbraw/zinc/26/21/32/572262132.db2.gz UBUPKGBKEQDNDJ-XKZIYDEJSA-N 0 0 528.577 6.124 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000408577825 572262405 /nfs/dbraw/zinc/26/24/05/572262405.db2.gz UOGITAFPIVVVMR-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cc(C)cc3C)SC2=S)cc1 ZINC000408578555 572263249 /nfs/dbraw/zinc/26/32/49/572263249.db2.gz YSKSYRRPORQVHV-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br ZINC000408600455 572272591 /nfs/dbraw/zinc/27/25/91/572272591.db2.gz ZAJRXUDCWCJZJA-LSCVHKIXSA-N 0 0 500.842 6.682 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000408603485 572273613 /nfs/dbraw/zinc/27/36/13/572273613.db2.gz RGAASAJVGMRXBX-MTJSOVHGSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000408605183 572274230 /nfs/dbraw/zinc/27/42/30/572274230.db2.gz XJHWVLPTDHHEID-GIJQJNRQSA-N 0 0 512.784 7.047 40 10 KKCBRN CCN(CC)c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])c(OCc2ccc(I)cc2)c1 ZINC000408609010 572275583 /nfs/dbraw/zinc/27/55/83/572275583.db2.gz YBDUZDYEHQCOHK-UKTHLTGXSA-N 0 0 533.366 6.091 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000253566847 572300280 /nfs/dbraw/zinc/30/02/80/572300280.db2.gz JLMCFLGGAJGMNR-OYUWMTPXSA-N 0 0 628.862 6.590 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408658574 572307269 /nfs/dbraw/zinc/30/72/69/572307269.db2.gz OFDIXOGSXFZTFJ-XDHCRJSBSA-N 0 0 709.629 8.775 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408663327 572310040 /nfs/dbraw/zinc/31/00/40/572310040.db2.gz HQIXDCZTLCAYAH-UHFFFAOYSA-N 0 0 551.426 7.230 40 10 KKCBRN CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408665303 572311332 /nfs/dbraw/zinc/31/13/32/572311332.db2.gz LGGRKXUXDNMRQI-UHFFFAOYSA-N 0 0 524.573 6.125 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408667299 572312630 /nfs/dbraw/zinc/31/26/30/572312630.db2.gz QDCCJEJEWQNPGO-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)c3)C(=O)[C@H]2C1 ZINC000408675717 572318291 /nfs/dbraw/zinc/31/82/91/572318291.db2.gz BVLMUVFALINGSV-IZLXSDGUSA-N 0 0 502.570 6.730 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c(C)c1 ZINC000260567416 572322627 /nfs/dbraw/zinc/32/26/27/572322627.db2.gz LDJBOQJPRUBQCF-OYPWENPISA-N 0 0 512.075 6.354 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260746194 572325180 /nfs/dbraw/zinc/32/51/80/572325180.db2.gz UETDTSCPSQGRKL-UKILVPOCSA-N 0 0 533.738 5.997 40 10 KKCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000097957609 1069689942 /nfs/dbraw/zinc/68/99/42/1069689942.db2.gz UHKWNVGPZOOZET-XSFVSMFZSA-N 0 0 550.459 5.651 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1Cl ZINC000102681235 1069705969 /nfs/dbraw/zinc/70/59/69/1069705969.db2.gz HUYXREKCRDKYOE-OEAKJJBVSA-N 0 0 522.051 6.586 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000102686398 1069706158 /nfs/dbraw/zinc/70/61/58/1069706158.db2.gz WWSWVKHIDPCMCR-UBYGEMSKSA-N 0 0 535.113 7.074 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000102687226 1069707186 /nfs/dbraw/zinc/70/71/86/1069707186.db2.gz LPNCXIQSJORLTP-DIVQNALZSA-N 0 0 505.665 5.708 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408743705 1069728272 /nfs/dbraw/zinc/72/82/72/1069728272.db2.gz XKUKAFHGZJYJIQ-JAIQZWGSSA-N 0 0 618.880 5.672 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408761604 1069737717 /nfs/dbraw/zinc/73/77/17/1069737717.db2.gz GWUWYDJTICTFHY-UDWIEESQSA-N 0 0 516.620 6.700 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1)c1ccccc1I ZINC000408726872 1069736256 /nfs/dbraw/zinc/73/62/56/1069736256.db2.gz NMUOAQYGRPUCRH-ZHZULCJRSA-N 0 0 549.455 6.044 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726997 1069736355 /nfs/dbraw/zinc/73/63/55/1069736355.db2.gz XNIZFSQXGYYFMV-UHFFFAOYSA-N 0 0 587.459 7.555 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OC ZINC000408727077 1069736386 /nfs/dbraw/zinc/73/63/86/1069736386.db2.gz YDMIFLLBIGUYBB-XIEYBQDHSA-N 0 0 506.558 6.139 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727183 1069736408 /nfs/dbraw/zinc/73/64/08/1069736408.db2.gz QGXDUGFVRWVARF-DFXMODJXSA-N 0 0 591.733 5.676 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408837142 1069745630 /nfs/dbraw/zinc/74/56/30/1069745630.db2.gz ZFELBSXVFIMICC-PLMBTIQCSA-N 0 0 614.724 5.210 40 10 KKCBRN O=C1C(=Cc2ccccc2Cc2ccccc2Br)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408872135 1069748032 /nfs/dbraw/zinc/74/80/32/1069748032.db2.gz LEWDHYABBLNNBE-UHFFFAOYSA-N 0 0 537.413 6.623 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000408865191 1069747409 /nfs/dbraw/zinc/74/74/09/1069747409.db2.gz BNTJDMPGYMMSDV-LPYMAVHISA-N 0 0 582.440 5.335 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085681 1069770919 /nfs/dbraw/zinc/77/09/19/1069770919.db2.gz ZOHSFMRZCCJMEQ-UHFFFAOYSA-N 0 0 617.536 7.388 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409132208 1069784128 /nfs/dbraw/zinc/78/41/28/1069784128.db2.gz ZBCSMGYSCYZYNA-XYGWBWBKSA-N 0 0 518.664 6.398 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000409329466 1069804797 /nfs/dbraw/zinc/80/47/97/1069804797.db2.gz FVVOLPBKOWSMRV-PCLIKHOPSA-N 0 0 518.660 5.677 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)SC1=S ZINC000409377813 1069807480 /nfs/dbraw/zinc/80/74/80/1069807480.db2.gz LBHQNIGHLAJKQV-YVLHZVERSA-N 0 0 560.276 5.854 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408771466 1069871762 /nfs/dbraw/zinc/87/17/62/1069871762.db2.gz HDSZCMDIVNABQW-QQXSKIMKSA-N 0 0 533.466 6.741 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(C)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408769730 1069876800 /nfs/dbraw/zinc/87/68/00/1069876800.db2.gz OFLWYWIIJMAZEI-XNMXCUJWSA-N 0 0 557.719 6.043 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408770506 1069879498 /nfs/dbraw/zinc/87/94/98/1069879498.db2.gz YIPSGWYPVKLGPX-UHFFFAOYSA-N 0 0 584.406 6.176 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408776862 1069888359 /nfs/dbraw/zinc/88/83/59/1069888359.db2.gz RIDARGPTPUZCFP-XYGWBWBKSA-N 0 0 516.981 5.543 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000408774797 1069891124 /nfs/dbraw/zinc/89/11/24/1069891124.db2.gz XNPNHRGSPSKFDY-ITYLOYPMSA-N 0 0 528.649 5.643 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408784753 1069912247 /nfs/dbraw/zinc/91/22/47/1069912247.db2.gz XEYBKWMSBQMMKZ-TVRVIFGSSA-N 0 0 670.662 7.773 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408785921 1069915510 /nfs/dbraw/zinc/91/55/10/1069915510.db2.gz JUZZLOSPVJCXBX-JWGURIENSA-N 0 0 569.485 6.333 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408790223 1069919215 /nfs/dbraw/zinc/91/92/15/1069919215.db2.gz VFXLVRQBBYVWKZ-JLPGSUDCSA-N 0 0 504.380 5.905 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408826198 1070003037 /nfs/dbraw/zinc/00/30/37/1070003037.db2.gz KXQSHYZSOSLSRT-UHAPOFRNSA-N 0 0 672.634 7.092 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408827374 1070006311 /nfs/dbraw/zinc/00/63/11/1070006311.db2.gz JATILIHPCSVPEK-YMSBRDKKSA-N 0 0 631.032 5.310 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(Br)cc2)cc1 ZINC000408840809 1070043377 /nfs/dbraw/zinc/04/33/77/1070043377.db2.gz GGNBGNDXQHUVFD-HZHRSRAPSA-N 0 0 507.384 5.700 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1cccc(Br)c1 ZINC000408846032 1070053417 /nfs/dbraw/zinc/05/34/17/1070053417.db2.gz XGBGYOQELLJUBC-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000408847223 1070055548 /nfs/dbraw/zinc/05/55/48/1070055548.db2.gz MGPWLHQQOFFIEZ-UTAOYMJKSA-N 0 0 606.723 5.819 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000408858239 1070069328 /nfs/dbraw/zinc/06/93/28/1070069328.db2.gz QXAPQSSBSAJAAN-SWBDNCPRSA-N 0 0 616.787 6.297 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408854573 1070072537 /nfs/dbraw/zinc/07/25/37/1070072537.db2.gz IPLKARXUOISKNT-AJBULDERSA-N 0 0 631.150 6.900 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408865488 1070082687 /nfs/dbraw/zinc/08/26/87/1070082687.db2.gz CNSDASIKGXCFFK-UHFFFAOYSA-N 0 0 525.029 6.667 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OCC)cc2)c1C ZINC000408868198 1070088951 /nfs/dbraw/zinc/08/89/51/1070088951.db2.gz MXGAOKNQCQMFRR-ONUIUJJFSA-N 0 0 549.465 6.523 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408866763 1070086212 /nfs/dbraw/zinc/08/62/12/1070086212.db2.gz IUMXFFMXTCBFDX-UHFFFAOYSA-N 0 0 661.552 8.472 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408867546 1070088277 /nfs/dbraw/zinc/08/82/77/1070088277.db2.gz LHLKMGVVRHZARX-XKZIYDEJSA-N 0 0 574.302 7.431 40 10 KKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408873042 1070098624 /nfs/dbraw/zinc/09/86/24/1070098624.db2.gz RBBSMDMXXWIJJE-IWHLBADBSA-N 0 0 546.892 8.670 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408879301 1070103215 /nfs/dbraw/zinc/10/32/15/1070103215.db2.gz CYJXPMGFTKXPAO-UHFFFAOYSA-N 0 0 631.523 7.314 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408875580 1070107367 /nfs/dbraw/zinc/10/73/67/1070107367.db2.gz KFOOCTIXJMPQCS-MTJSOVHGSA-N 0 0 528.403 5.671 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408877195 1070111337 /nfs/dbraw/zinc/11/13/37/1070111337.db2.gz STBQBZXVFRDXAF-UHFFFAOYSA-N 0 0 535.394 5.830 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408877896 1070113551 /nfs/dbraw/zinc/11/35/51/1070113551.db2.gz XTEIURLHOGMHJJ-UHFFFAOYSA-N 0 0 532.596 6.556 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408883969 1070117696 /nfs/dbraw/zinc/11/76/96/1070117696.db2.gz RYDNHNSSIWIMEB-UHFFFAOYSA-N 0 0 644.465 6.852 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408884109 1070118607 /nfs/dbraw/zinc/11/86/07/1070118607.db2.gz WTPQWWNEGIXTDL-WVOIHLJESA-N 0 0 625.143 5.484 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408882267 1070126122 /nfs/dbraw/zinc/12/61/22/1070126122.db2.gz MCGCUDGYOXYXFF-UXHLAJHPSA-N 0 0 679.622 7.780 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408894705 1070143689 /nfs/dbraw/zinc/14/36/89/1070143689.db2.gz KSSUOZWIOJTHAY-UHFFFAOYSA-N 0 0 554.649 5.511 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408892200 1070152962 /nfs/dbraw/zinc/15/29/62/1070152962.db2.gz XUCVTUOGJCUECP-UHFFFAOYSA-N 0 0 526.951 6.642 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1 ZINC000408902116 1070160130 /nfs/dbraw/zinc/16/01/30/1070160130.db2.gz KICMRKYOMLFWFR-CIAFOILYSA-N 0 0 540.255 6.905 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408901335 1070167776 /nfs/dbraw/zinc/16/77/76/1070167776.db2.gz DHQXWCXOFBQXMY-RGVLZGJSSA-N 0 0 652.124 7.201 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898452 1070174752 /nfs/dbraw/zinc/17/47/52/1070174752.db2.gz LLKJRILFLVWGLU-UHFFFAOYSA-N 0 0 601.428 6.759 40 10 KKCBRN CNc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902483 1070183517 /nfs/dbraw/zinc/18/35/17/1070183517.db2.gz OIRYLIBFAZSKFT-NTEUORMPSA-N 0 0 578.238 5.343 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408902639 1070184106 /nfs/dbraw/zinc/18/41/06/1070184106.db2.gz PDEXYMVWNQSHNJ-NLRVBDNBSA-N 0 0 569.777 7.693 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408902960 1070184880 /nfs/dbraw/zinc/18/48/80/1070184880.db2.gz SRQQOJOJICJDCD-LPYMAVHISA-N 0 0 512.450 6.443 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408903149 1070185595 /nfs/dbraw/zinc/18/55/95/1070185595.db2.gz UYRVSIATZRMYSQ-OQLLNIDSSA-N 0 0 511.157 5.259 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408903575 1070187882 /nfs/dbraw/zinc/18/78/82/1070187882.db2.gz ZXRYYERFRJIILX-YDZHTSKRSA-N 0 0 652.373 7.437 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408903259 1070186351 /nfs/dbraw/zinc/18/63/51/1070186351.db2.gz WMFPYJZBBWIIGI-DJKKODMXSA-N 0 0 689.118 7.588 40 10 KKCBRN Cc1cccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)c1 ZINC000408903448 1070187109 /nfs/dbraw/zinc/18/71/09/1070187109.db2.gz YBEQIKFNRSIWAR-FYJGNVAPSA-N 0 0 622.347 7.347 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)c(I)c1 ZINC000408919701 1070222785 /nfs/dbraw/zinc/22/27/85/1070222785.db2.gz BODMGBPIAQWBEG-OIUASMPBSA-N 0 0 719.048 6.848 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000408919556 1070236109 /nfs/dbraw/zinc/23/61/09/1070236109.db2.gz AXSOZOGJRQBLEW-PRLWALMFSA-N 0 0 592.186 5.970 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408931819 1070245365 /nfs/dbraw/zinc/24/53/65/1070245365.db2.gz QQTQMQOPQJOOKL-NTFVMDSBSA-N 0 0 634.527 7.250 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000408934631 1070270025 /nfs/dbraw/zinc/27/00/25/1070270025.db2.gz BLSUXRCNKVSLDM-UDWIEESQSA-N 0 0 539.813 6.132 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc6ccccc65)c4C)c(=O)n32)cc1OCC ZINC000408935112 1070271985 /nfs/dbraw/zinc/27/19/85/1070271985.db2.gz MPAXQPXIGMRUEF-YREBFKSYSA-N 0 0 607.732 5.376 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc6ccccc6c5)c4C)c(=O)n32)cc1OCC ZINC000408940658 1070286952 /nfs/dbraw/zinc/28/69/52/1070286952.db2.gz VFAKCERIJNCGNO-YREBFKSYSA-N 0 0 607.732 5.376 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408942402 1070302746 /nfs/dbraw/zinc/30/27/46/1070302746.db2.gz QPQWBQUXVGXQQT-CIAFOILYSA-N 0 0 631.264 6.083 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408976438 1070337088 /nfs/dbraw/zinc/33/70/88/1070337088.db2.gz FSSQWMIHKGGQCI-IVNSTHILSA-N 0 0 704.849 6.256 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986185 1070347986 /nfs/dbraw/zinc/34/79/86/1070347986.db2.gz OJQOYQNBOCETMF-DWLKXISJSA-N 0 0 617.771 5.969 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4C)C3=O)o2)cc1 ZINC000408986333 1070348034 /nfs/dbraw/zinc/34/80/34/1070348034.db2.gz PTSGEGJPFAKCKQ-HAVVHWLPSA-N 0 0 506.514 6.421 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408989749 1070354459 /nfs/dbraw/zinc/35/44/59/1070354459.db2.gz ITUXEZZWUCOCHO-UHFFFAOYSA-N 0 0 713.822 8.356 40 10 KKCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408984261 1070352042 /nfs/dbraw/zinc/35/20/42/1070352042.db2.gz ILQSXBXENLJHLF-GRSHGNNSSA-N 0 0 651.682 6.261 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408990229 1070355578 /nfs/dbraw/zinc/35/55/78/1070355578.db2.gz WILONNOVQLINOL-HXQACLMCSA-N 0 0 559.691 5.343 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Cl)cc2Cl)N1 ZINC000408992862 1070356492 /nfs/dbraw/zinc/35/64/92/1070356492.db2.gz UTXKJPLBFRZBEY-RUZDIDTESA-N 0 0 525.505 6.906 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408988372 1070360551 /nfs/dbraw/zinc/36/05/51/1070360551.db2.gz DHRSOCOUXHJENT-UHFFFAOYSA-N 0 0 594.718 7.123 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408992970 1070367778 /nfs/dbraw/zinc/36/77/78/1070367778.db2.gz UHHGXGIEAWVBRK-XSFVSMFZSA-N 0 0 551.849 6.938 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408993852 1070370135 /nfs/dbraw/zinc/37/01/35/1070370135.db2.gz XHGPXAZTCSCCOP-UHFFFAOYSA-N 0 0 605.661 5.470 40 10 KKCBRN O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408997995 1070372029 /nfs/dbraw/zinc/37/20/29/1070372029.db2.gz PODMDFQUTHMSFW-CLCZQPDDSA-N 0 0 508.640 5.947 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409002923 1070379131 /nfs/dbraw/zinc/37/91/31/1070379131.db2.gz XICIPQDFPNMDGC-KEQCBNTKSA-N 0 0 600.062 5.878 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409006775 1070382707 /nfs/dbraw/zinc/38/27/07/1070382707.db2.gz KWBHKMVVXKMYBU-PRLWALMFSA-N 0 0 560.119 5.476 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409007126 1070383299 /nfs/dbraw/zinc/38/32/99/1070383299.db2.gz OALKLAHKILNNKA-WQRHYEAKSA-N 0 0 557.329 6.410 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409010166 1070387527 /nfs/dbraw/zinc/38/75/27/1070387527.db2.gz JVQZTRWFPGDQFL-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012831 1070390688 /nfs/dbraw/zinc/39/06/88/1070390688.db2.gz LGAZIDLALFXEBP-AJBULDERSA-N 0 0 709.648 7.952 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011210 1070389155 /nfs/dbraw/zinc/38/91/55/1070389155.db2.gz MUTBKLGVBSBTOF-PCLIKHOPSA-N 0 0 571.051 5.078 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012783 1070390360 /nfs/dbraw/zinc/39/03/60/1070390360.db2.gz KPMHBVFRYXGDLM-BUVRLJJBSA-N 0 0 577.493 6.150 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008589 1070391556 /nfs/dbraw/zinc/39/15/56/1070391556.db2.gz YHVMDQVPZUJSCA-KCSSXMTESA-N 0 0 589.736 7.377 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OC(C)C)c(OCC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409015761 1070395517 /nfs/dbraw/zinc/39/55/17/1070395517.db2.gz QNTCCAVHSWELQU-CPNJWEJPSA-N 0 0 531.472 5.589 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409014320 1070394368 /nfs/dbraw/zinc/39/43/68/1070394368.db2.gz XGDRXBHXQUWYED-UNOMPAQXSA-N 0 0 515.824 6.932 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409023794 1070401375 /nfs/dbraw/zinc/40/13/75/1070401375.db2.gz PZRVYCHMDDZKCW-ZVHZXABRSA-N 0 0 525.468 6.880 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409019436 1070403099 /nfs/dbraw/zinc/40/30/99/1070403099.db2.gz JDPIIADMUMBIAL-UQRQXUALSA-N 0 0 612.642 6.745 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409030126 1070412423 /nfs/dbraw/zinc/41/24/23/1070412423.db2.gz CCIJPAAOZZXBSD-UKWGHVSLSA-N 0 0 575.377 7.591 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032829 1070420714 /nfs/dbraw/zinc/42/07/14/1070420714.db2.gz DOLDQSUHEHGLEQ-KFOJKGMOSA-N 0 0 627.763 5.204 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000409033020 1070421554 /nfs/dbraw/zinc/42/15/54/1070421554.db2.gz DDVKRCNGILDTGE-GTIUJOIGSA-N 0 0 631.798 6.660 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409038313 1070428373 /nfs/dbraw/zinc/42/83/73/1070428373.db2.gz VGSLCNSAQBKBGJ-RZNTYIFUSA-N 0 0 779.068 8.283 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038194 1070427528 /nfs/dbraw/zinc/42/75/28/1070427528.db2.gz ZUHSKUMISCPIPB-IKHSWBDUSA-N 0 0 635.786 6.155 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)ccc1Cl ZINC000409034712 1070432847 /nfs/dbraw/zinc/43/28/47/1070432847.db2.gz NWPUJHICQWJAQT-WQLSENKSSA-N 0 0 510.802 5.888 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1cccc(I)c1 ZINC000409036224 1070436268 /nfs/dbraw/zinc/43/62/68/1070436268.db2.gz AVYDXGINEQUYHS-LZYBPNLTSA-N 0 0 571.287 6.200 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000409036973 1070439085 /nfs/dbraw/zinc/43/90/85/1070439085.db2.gz WUBYYHQJTHOFDJ-MIUGUJGPSA-N 0 0 713.492 6.520 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc(Cl)c1 ZINC000409037473 1070439785 /nfs/dbraw/zinc/43/97/85/1070439785.db2.gz CRLGNSGTDDSYCB-PXNMLYILSA-N 0 0 601.753 7.192 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1Cl ZINC000409042426 1070447348 /nfs/dbraw/zinc/44/73/48/1070447348.db2.gz KTBAEYPIDCAZOM-UUASQNMZSA-N 0 0 683.198 7.687 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409042739 1070447507 /nfs/dbraw/zinc/44/75/07/1070447507.db2.gz OOQJZIWEISIQPA-CIAFOILYSA-N 0 0 544.218 6.736 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409044598 1070451777 /nfs/dbraw/zinc/45/17/77/1070451777.db2.gz OJSHJFNRCUMAMR-IZZDOVSWSA-N 0 0 519.264 5.748 40 10 KKCBRN CCCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409044785 1070452240 /nfs/dbraw/zinc/45/22/40/1070452240.db2.gz PBKTZMOGWQHXRU-LCYFTJDESA-N 0 0 503.265 6.130 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409046087 1070455245 /nfs/dbraw/zinc/45/52/45/1070455245.db2.gz ILGUJMSREYEGPG-ZVHZXABRSA-N 0 0 508.571 5.412 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000409047910 1070460158 /nfs/dbraw/zinc/46/01/58/1070460158.db2.gz QAFLKFCKLUJASM-UBKPWBPPSA-N 0 0 584.670 7.507 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(Cc3c(Cl)cccc3Cl)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409056208 1070468769 /nfs/dbraw/zinc/46/87/69/1070468769.db2.gz NDCJILJOKLKWOC-UHFFFAOYSA-N 0 0 582.937 5.195 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409057561 1070470032 /nfs/dbraw/zinc/47/00/32/1070470032.db2.gz HJZASUQRZPPOMD-QRVIBDJDSA-N 0 0 506.986 5.642 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409061523 1070476983 /nfs/dbraw/zinc/47/69/83/1070476983.db2.gz DZTAZNMRXSAZAQ-PKAZHMFMSA-N 0 0 512.606 5.765 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409067479 1070484092 /nfs/dbraw/zinc/48/40/92/1070484092.db2.gz YFYOGGCESKJIIX-ZSJKCPIUSA-N 0 0 610.961 5.622 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000409089813 1070523993 /nfs/dbraw/zinc/52/39/93/1070523993.db2.gz KGAXNFOJJWANNH-UQQQWYQISA-N 0 0 587.901 7.915 40 10 KKCBRN O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409090549 1070524955 /nfs/dbraw/zinc/52/49/55/1070524955.db2.gz RDDVZMJAEIZKRO-WOJGMQOQSA-N 0 0 519.862 6.629 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409091899 1070527455 /nfs/dbraw/zinc/52/74/55/1070527455.db2.gz SXNZTPCHJQNFDI-WOJGMQOQSA-N 0 0 523.299 5.864 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409092249 1070527887 /nfs/dbraw/zinc/52/78/87/1070527887.db2.gz UPGYVSNCAPZDDC-DZGUVLCISA-N 0 0 681.330 5.994 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409095781 1070529335 /nfs/dbraw/zinc/52/93/35/1070529335.db2.gz JCHNKNFTWVLSOV-RGVLZGJSSA-N 0 0 503.407 6.791 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409106772 1070541011 /nfs/dbraw/zinc/54/10/11/1070541011.db2.gz UGAZMJKEYXVBDM-LPYMAVHISA-N 0 0 557.466 6.645 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409126632 1070554291 /nfs/dbraw/zinc/55/42/91/1070554291.db2.gz LVXUGELDNLLHLG-MTJSOVHGSA-N 0 0 501.833 7.059 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)CC1 ZINC000409130725 1070557117 /nfs/dbraw/zinc/55/71/17/1070557117.db2.gz ULPQTXUPZYUHKN-UQQQWYQISA-N 0 0 503.693 5.344 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(CCc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409137516 1070561726 /nfs/dbraw/zinc/56/17/26/1070561726.db2.gz XVDZXFPEBNDDPP-BRPDVVIDSA-N 0 0 540.710 7.339 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409148616 1070566815 /nfs/dbraw/zinc/56/68/15/1070566815.db2.gz ZUQJPFBTWRMPGP-MTJSOVHGSA-N 0 0 526.481 5.432 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)c(Cl)c1 ZINC000409141594 1070564495 /nfs/dbraw/zinc/56/44/95/1070564495.db2.gz ALUDDIQDNCRRPO-IDUWFGFVSA-N 0 0 506.834 5.438 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409148885 1070567256 /nfs/dbraw/zinc/56/72/56/1070567256.db2.gz TVYGWJVIZXVLCH-MGKUZBKYSA-N 0 0 582.589 6.249 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409144133 1070572059 /nfs/dbraw/zinc/57/20/59/1070572059.db2.gz NHMQUPVAOZXWAJ-RCECTWRXSA-N 0 0 531.472 5.971 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151730 1070572185 /nfs/dbraw/zinc/57/21/85/1070572185.db2.gz BYWUEKVQMXUUBP-UZEJHQAJSA-N 0 0 599.274 9.189 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)C ZINC000409144131 1070572203 /nfs/dbraw/zinc/57/22/03/1070572203.db2.gz IGTKTGZBAGAUIF-SSDVNMTOSA-N 0 0 500.686 5.321 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409150587 1070569009 /nfs/dbraw/zinc/56/90/09/1070569009.db2.gz CXBYDCURFOVWSO-DXMSMQRWSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168472 1070586267 /nfs/dbraw/zinc/58/62/67/1070586267.db2.gz MSLNWDVPVUBPGA-ISQRANHSSA-N 0 0 634.612 10.130 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409181946 1070599672 /nfs/dbraw/zinc/59/96/72/1070599672.db2.gz GXSCNWDAKFZQOI-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183183 1070601814 /nfs/dbraw/zinc/60/18/14/1070601814.db2.gz ATFKFCQYXFUZAF-VRQDUTANSA-N 0 0 690.869 8.391 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183578 1070602491 /nfs/dbraw/zinc/60/24/91/1070602491.db2.gz CAVLEPFTJVNSOT-FNQIZDKISA-N 0 0 709.699 8.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(NC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186126 1070606143 /nfs/dbraw/zinc/60/61/43/1070606143.db2.gz WZWRQTLOCYABSH-QICITKFESA-N 0 0 828.514 7.331 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409186074 1070606168 /nfs/dbraw/zinc/60/61/68/1070606168.db2.gz WEVLDGYWTDMZIM-UXHLAJHPSA-N 0 0 635.113 6.649 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186251 1070606866 /nfs/dbraw/zinc/60/68/66/1070606866.db2.gz ZLKUPWPKUBSWMU-FDLISNHGSA-N 0 0 605.716 5.866 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409195788 1070615139 /nfs/dbraw/zinc/61/51/39/1070615139.db2.gz KYZZFHOQEKSDHY-KEBDBYFISA-N 0 0 658.206 8.098 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409197222 1070617968 /nfs/dbraw/zinc/61/79/68/1070617968.db2.gz ZBPIRQRWHZFURR-ZVHZXABRSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409198059 1070618720 /nfs/dbraw/zinc/61/87/20/1070618720.db2.gz VWOOKTWYACNUCE-YDZHTSKRSA-N 0 0 560.922 7.486 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409207692 1070623650 /nfs/dbraw/zinc/62/36/50/1070623650.db2.gz XQBUKBXYQIYVTP-LSHDLFTRSA-N 0 0 523.636 5.612 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)c2C)cc1 ZINC000409199484 1070625137 /nfs/dbraw/zinc/62/51/37/1070625137.db2.gz OAPSOFYPYGEAJH-QQXSKIMKSA-N 0 0 511.603 5.931 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409203991 1070629540 /nfs/dbraw/zinc/62/95/40/1070629540.db2.gz AXKPAOCCJNQTSZ-UCQKPKSFSA-N 0 0 580.087 5.299 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000409204655 1070630261 /nfs/dbraw/zinc/63/02/61/1070630261.db2.gz JCIHTWOHRHJACK-UHFFFAOYSA-N 0 0 627.388 5.304 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409236459 1070652761 /nfs/dbraw/zinc/65/27/61/1070652761.db2.gz GQALNICBBIDODL-RMORIDSASA-N 0 0 577.486 6.955 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1C ZINC000409240424 1070655560 /nfs/dbraw/zinc/65/55/60/1070655560.db2.gz TXIFESRUPYACNI-LPYMAVHISA-N 0 0 523.998 5.209 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409232179 1070657748 /nfs/dbraw/zinc/65/77/48/1070657748.db2.gz OKTHISZAWXYUIL-UCQKPKSFSA-N 0 0 558.512 6.483 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409235398 1070661317 /nfs/dbraw/zinc/66/13/17/1070661317.db2.gz PCRMJDYZGCYQET-FMCGGJTJSA-N 0 0 575.495 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409246988 1070663433 /nfs/dbraw/zinc/66/34/33/1070663433.db2.gz FNNAVOOGDKKWCR-MTJSOVHGSA-N 0 0 563.539 6.092 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409235631 1070661944 /nfs/dbraw/zinc/66/19/44/1070661944.db2.gz COGVLNPGMLSHPO-VEILYXNESA-N 0 0 568.676 6.911 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409247875 1070664759 /nfs/dbraw/zinc/66/47/59/1070664759.db2.gz DFNHVIUICIYIQA-WQRHYEAKSA-N 0 0 511.452 5.631 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1 ZINC000409254887 1070673360 /nfs/dbraw/zinc/67/33/60/1070673360.db2.gz YDUZBCMGWREEPW-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)c(C)c1 ZINC000409257148 1070676732 /nfs/dbraw/zinc/67/67/32/1070676732.db2.gz RAWYZAAFPOIUFF-XKZIYDEJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409256961 1070676818 /nfs/dbraw/zinc/67/68/18/1070676818.db2.gz QUGGYXNEZMFMRL-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1 ZINC000409257931 1070679117 /nfs/dbraw/zinc/67/91/17/1070679117.db2.gz UVMFAFFUHIOLDX-JLPGSUDCSA-N 0 0 519.648 5.185 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409259339 1070681195 /nfs/dbraw/zinc/68/11/95/1070681195.db2.gz YVIUNFNJCRBVLC-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409251489 1070681928 /nfs/dbraw/zinc/68/19/28/1070681928.db2.gz QSXKAWRJRDEHKA-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251772 1070682511 /nfs/dbraw/zinc/68/25/11/1070682511.db2.gz BLQKVOZILSRSIX-UHFFFAOYSA-N 0 0 610.066 6.566 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)SC1=S ZINC000409266548 1070691162 /nfs/dbraw/zinc/69/11/62/1070691162.db2.gz ZVFCLULNIMMIGE-ODLFYWEKSA-N 0 0 521.458 5.005 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409259934 1070695071 /nfs/dbraw/zinc/69/50/71/1070695071.db2.gz HZZNJBVPGCUNAL-ITYLOYPMSA-N 0 0 548.686 5.555 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1 ZINC000409263149 1070700070 /nfs/dbraw/zinc/70/00/70/1070700070.db2.gz AOKPDDTZBPULED-QRVIBDJDSA-N 0 0 543.041 6.301 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1cccc(Cl)c1 ZINC000409263297 1070700130 /nfs/dbraw/zinc/70/01/30/1070700130.db2.gz KIGHBAPXXOQDFO-KSEXSDGBSA-N 0 0 539.034 5.488 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409269738 1070704346 /nfs/dbraw/zinc/70/43/46/1070704346.db2.gz MHKWGBDMOLFLKU-UHFFFAOYSA-N 0 0 616.457 6.603 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409270258 1070705715 /nfs/dbraw/zinc/70/57/15/1070705715.db2.gz OIRWXIKQCCLRGE-UHFFFAOYSA-N 0 0 630.882 6.703 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000409270412 1070705761 /nfs/dbraw/zinc/70/57/61/1070705761.db2.gz FQOWMJIWVKLPMJ-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1 ZINC000409273297 1070712452 /nfs/dbraw/zinc/71/24/52/1070712452.db2.gz WYGMEQJYIYQBNV-FMCGGJTJSA-N 0 0 525.051 6.080 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(OCc2ccccc2)c1 ZINC000409275799 1070719866 /nfs/dbraw/zinc/71/98/66/1070719866.db2.gz WZCSFFXUKJICRC-RDRPBHBLSA-N 0 0 555.700 5.733 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879804 1070791455 /nfs/dbraw/zinc/79/14/55/1070791455.db2.gz FTDZEAKWAFSJEG-UHFFFAOYSA-N 0 0 535.581 5.922 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408880971 1070785122 /nfs/dbraw/zinc/78/51/22/1070785122.db2.gz JQLCFZHVWCTTQL-UHFFFAOYSA-N 0 0 556.977 6.650 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880728 1070786900 /nfs/dbraw/zinc/78/69/00/1070786900.db2.gz HBIDNWCPLCBCJF-UHFFFAOYSA-N 0 0 598.409 6.520 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408878209 1070800956 /nfs/dbraw/zinc/80/09/56/1070800956.db2.gz YEJWLMJSTKHBCJ-UHFFFAOYSA-N 0 0 660.533 7.017 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408878019 1070801706 /nfs/dbraw/zinc/80/17/06/1070801706.db2.gz YXEKDSHBRLFUNU-UHFFFAOYSA-N 0 0 598.462 5.835 40 10 KKCBRN CCCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408877905 1070803584 /nfs/dbraw/zinc/80/35/84/1070803584.db2.gz XVYWXGLIYAYDRU-UHFFFAOYSA-N 0 0 505.368 5.821 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408877964 1070804197 /nfs/dbraw/zinc/80/41/97/1070804197.db2.gz ZCMMADPOVVOJRT-UHFFFAOYSA-N 0 0 573.432 7.164 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408878296 1070801847 /nfs/dbraw/zinc/80/18/47/1070801847.db2.gz ZTEYMEZBVAZPCF-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408888264 1070814824 /nfs/dbraw/zinc/81/48/24/1070814824.db2.gz YEISOGUHOFUGAG-UHFFFAOYSA-N 0 0 633.545 6.274 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408897244 1070824141 /nfs/dbraw/zinc/82/41/41/1070824141.db2.gz RAMGZWZPFMLEFA-UHFFFAOYSA-N 0 0 613.533 7.175 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000409327494 1070828613 /nfs/dbraw/zinc/82/86/13/1070828613.db2.gz KDPGDZOWVVKPLW-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O ZINC000409327785 1070828341 /nfs/dbraw/zinc/82/83/41/1070828341.db2.gz MWAAGYZFPYGNNQ-CHHVJCJISA-N 0 0 505.242 6.266 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409328336 1070829826 /nfs/dbraw/zinc/82/98/26/1070829826.db2.gz SJOJBLALZWSRNC-DHRITJCHSA-N 0 0 554.575 7.721 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409329102 1070830186 /nfs/dbraw/zinc/83/01/86/1070830186.db2.gz CSZRUNYDMWOFQI-UCQKPKSFSA-N 0 0 537.575 5.887 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409328694 1070830559 /nfs/dbraw/zinc/83/05/59/1070830559.db2.gz ZYQZQRUTUKNICY-LPYMAVHISA-N 0 0 578.912 7.625 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409333621 1070839129 /nfs/dbraw/zinc/83/91/29/1070839129.db2.gz KRYIISPYRZDMSI-UHFFFAOYSA-N 0 0 544.570 7.142 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409329612 1070831897 /nfs/dbraw/zinc/83/18/97/1070831897.db2.gz GGFGRCMGPGKXIX-MTJSOVHGSA-N 0 0 516.427 6.627 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409329579 1070832213 /nfs/dbraw/zinc/83/22/13/1070832213.db2.gz GFHAWBKTRUNOBN-FYJGNVAPSA-N 0 0 514.024 5.850 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409333409 1070838554 /nfs/dbraw/zinc/83/85/54/1070838554.db2.gz SGUTWANUVLNXQX-YVLHZVERSA-N 0 0 542.860 5.459 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409330731 1070833948 /nfs/dbraw/zinc/83/39/48/1070833948.db2.gz MANXEDOVXISCFU-XKZIYDEJSA-N 0 0 623.363 7.734 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1 ZINC000409330763 1070834086 /nfs/dbraw/zinc/83/40/86/1070834086.db2.gz MKKRKRJSLQAZLH-FYJGNVAPSA-N 0 0 728.371 6.030 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409332183 1070835959 /nfs/dbraw/zinc/83/59/59/1070835959.db2.gz QGISUWMVTQVCPI-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409333698 1070838878 /nfs/dbraw/zinc/83/88/78/1070838878.db2.gz VFYVUBVLBKUDTQ-WSDLNYQXSA-N 0 0 672.837 7.933 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409332560 1070836836 /nfs/dbraw/zinc/83/68/36/1070836836.db2.gz QHSIRFDXEXWDJU-MYKKPKGFSA-N 0 0 591.070 5.208 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3OC)SC2=S)cc1Cl ZINC000409339936 1070844950 /nfs/dbraw/zinc/84/49/50/1070844950.db2.gz MZQVFROQSJBIJE-GIDUJCDVSA-N 0 0 549.693 6.288 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1C ZINC000409341449 1070847662 /nfs/dbraw/zinc/84/76/62/1070847662.db2.gz AXBMUUNNOLHDSC-UCQKPKSFSA-N 0 0 559.551 6.617 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409341972 1070849142 /nfs/dbraw/zinc/84/91/42/1070849142.db2.gz AWANTUXIZGQDNN-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409342272 1070849199 /nfs/dbraw/zinc/84/91/99/1070849199.db2.gz DBFAYKRWPKSUDB-LUOAPIJWSA-N 0 0 562.801 6.612 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409342270 1070849468 /nfs/dbraw/zinc/84/94/68/1070849468.db2.gz BAXOVNGNBGUHRF-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409345150 1070855045 /nfs/dbraw/zinc/85/50/45/1070855045.db2.gz KLWFDKJVGRDRHH-ODLFYWEKSA-N 0 0 583.469 5.264 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408894466 1070855667 /nfs/dbraw/zinc/85/56/67/1070855667.db2.gz IGMXPVWBUQSSCZ-UHFFFAOYSA-N 0 0 648.376 7.539 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000409345162 1070857319 /nfs/dbraw/zinc/85/73/19/1070857319.db2.gz KOCHFXKSCJQCLB-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409346867 1070863807 /nfs/dbraw/zinc/86/38/07/1070863807.db2.gz OMGRMTRSDYLYPS-MYKKPKGFSA-N 0 0 559.927 8.064 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409338010 1070859880 /nfs/dbraw/zinc/85/98/80/1070859880.db2.gz BHMNNBBXSDJULD-AUEPDCJTSA-N 0 0 546.998 7.907 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409338332 1070860594 /nfs/dbraw/zinc/86/05/94/1070860594.db2.gz HXHQCVUMETUADD-LDADJPATSA-N 0 0 559.878 6.538 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1C ZINC000409339293 1070861943 /nfs/dbraw/zinc/86/19/43/1070861943.db2.gz SZOLANFNSOAJNI-KSEXSDGBSA-N 0 0 622.393 7.796 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409338903 1070862046 /nfs/dbraw/zinc/86/20/46/1070862046.db2.gz QNWCLBJFJGNTDE-KSEXSDGBSA-N 0 0 686.864 8.242 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409339209 1070862111 /nfs/dbraw/zinc/86/21/11/1070862111.db2.gz STXZUOJPHQAAEW-WPWMEQJKSA-N 0 0 575.111 7.017 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409339478 1070862319 /nfs/dbraw/zinc/86/23/19/1070862319.db2.gz ISDBXEOUPCIBAQ-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1Br ZINC000409346679 1070863437 /nfs/dbraw/zinc/86/34/37/1070863437.db2.gz KYHNINIDAFIUGH-NDENLUEZSA-N 0 0 514.422 5.560 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409348323 1070865628 /nfs/dbraw/zinc/86/56/28/1070865628.db2.gz SDAFWYRFCJLFHK-ZVHZXABRSA-N 0 0 526.580 7.562 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349467 1070866947 /nfs/dbraw/zinc/86/69/47/1070866947.db2.gz PMYYAEYQJYFIAC-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893171 1070867362 /nfs/dbraw/zinc/86/73/62/1070867362.db2.gz CWMJAKAHMRGEPR-UHFFFAOYSA-N 0 0 663.571 6.282 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409349663 1070867384 /nfs/dbraw/zinc/86/73/84/1070867384.db2.gz VSIIGNXPJFOHEV-ZDLGFXPLSA-N 0 0 510.902 6.933 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409350485 1070868635 /nfs/dbraw/zinc/86/86/35/1070868635.db2.gz RRGVTRNGLXHXFH-LPYMAVHISA-N 0 0 697.370 7.345 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1O ZINC000409350552 1070868854 /nfs/dbraw/zinc/86/88/54/1070868854.db2.gz XZZWCUSKAPLZFA-NSIKDUERSA-N 0 0 538.215 5.718 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408892815 1070870596 /nfs/dbraw/zinc/87/05/96/1070870596.db2.gz CPIPYRLFWPBVIV-UHFFFAOYSA-N 0 0 538.600 6.162 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409352085 1070870697 /nfs/dbraw/zinc/87/06/97/1070870697.db2.gz WAFAIQLEBDLIOK-ZMOGYAJESA-N 0 0 617.974 7.233 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)cc2)cc1 ZINC000409345567 1070877217 /nfs/dbraw/zinc/87/72/17/1070877217.db2.gz JIQXCSVIBDUQKA-ONUIUJJFSA-N 0 0 510.640 6.572 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408890476 1070882382 /nfs/dbraw/zinc/88/23/82/1070882382.db2.gz UIZIHYKQKOUWLA-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408889336 1070889705 /nfs/dbraw/zinc/88/97/05/1070889705.db2.gz CRDXDFMTAHBXRU-UHFFFAOYSA-N 0 0 583.438 6.620 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408889381 1070889762 /nfs/dbraw/zinc/88/97/62/1070889762.db2.gz FUJVZSOHUDSZKP-UHFFFAOYSA-N 0 0 546.623 6.865 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408889491 1070889143 /nfs/dbraw/zinc/88/91/43/1070889143.db2.gz HIUCGPXVNWLHSZ-UHFFFAOYSA-N 0 0 583.438 6.620 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000409367819 1070891067 /nfs/dbraw/zinc/89/10/67/1070891067.db2.gz HHZMFYUYENNZNI-GIJQJNRQSA-N 0 0 526.423 5.255 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000409368882 1070892527 /nfs/dbraw/zinc/89/25/27/1070892527.db2.gz RCHNTHQFVKYPNY-SRZZPIQSSA-N 0 0 548.448 6.649 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409373671 1070896689 /nfs/dbraw/zinc/89/66/89/1070896689.db2.gz XTJNTQMHXHDZID-LHHJGKSTSA-N 0 0 612.152 6.465 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408903578 1070902574 /nfs/dbraw/zinc/90/25/74/1070902574.db2.gz ZZAFXUBWLQZHFB-RGVLZGJSSA-N 0 0 571.225 6.505 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000408903286 1070904734 /nfs/dbraw/zinc/90/47/34/1070904734.db2.gz WZKOOIHUKUVUET-FYJGNVAPSA-N 0 0 573.228 6.439 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccccc1 ZINC000408903211 1070905453 /nfs/dbraw/zinc/90/54/53/1070905453.db2.gz VRWWEPHYXGWIME-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408903258 1070906228 /nfs/dbraw/zinc/90/62/28/1070906228.db2.gz WMBVMUSUXWQULB-HYARGMPZSA-N 0 0 616.502 6.032 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408902655 1070910471 /nfs/dbraw/zinc/91/04/71/1070910471.db2.gz PHTMFDFWJOOHED-YBFXNURJSA-N 0 0 638.218 6.420 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408902926 1070908131 /nfs/dbraw/zinc/90/81/31/1070908131.db2.gz SGWLBUYJAYITHD-UDWIEESQSA-N 0 0 517.415 6.886 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408902680 1070908575 /nfs/dbraw/zinc/90/85/75/1070908575.db2.gz PUBTWLPTAISDSZ-BUVRLJJBSA-N 0 0 519.489 7.166 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902703 1070908679 /nfs/dbraw/zinc/90/86/79/1070908679.db2.gz QEPXZRXZXZDYMF-VXLYETTFSA-N 0 0 593.248 6.992 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902738 1070909177 /nfs/dbraw/zinc/90/91/77/1070909177.db2.gz QTLABWBCBOSGEC-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000408902488 1070912003 /nfs/dbraw/zinc/91/20/03/1070912003.db2.gz OLMXKTILHOTFRH-WGOQTCKBSA-N 0 0 588.445 7.228 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408902486 1070912088 /nfs/dbraw/zinc/91/20/88/1070912088.db2.gz OJTJXEVVHGSWKE-HYARGMPZSA-N 0 0 543.041 6.301 40 10 KKCBRN Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409409874 1070919510 /nfs/dbraw/zinc/91/95/10/1070919510.db2.gz RNQFCFZIILSDMK-XDHOZWIPSA-N 0 0 556.210 5.201 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901620 1070919756 /nfs/dbraw/zinc/91/97/56/1070919756.db2.gz GWLHYHNURSIVGN-UDWIEESQSA-N 0 0 700.317 6.789 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408901823 1070916001 /nfs/dbraw/zinc/91/60/01/1070916001.db2.gz HMNIZBJBLGHTBW-ZVHZXABRSA-N 0 0 531.837 7.641 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901934 1070916541 /nfs/dbraw/zinc/91/65/41/1070916541.db2.gz JADDVOOOFTVJJI-FYJGNVAPSA-N 0 0 500.414 6.573 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)(C)C ZINC000409401707 1070917063 /nfs/dbraw/zinc/91/70/63/1070917063.db2.gz ZASCUVASGOUJEP-PTNGSMBKSA-N 0 0 538.236 5.249 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408901627 1070919912 /nfs/dbraw/zinc/91/99/12/1070919912.db2.gz GWYQGZYILMNJPK-OEAKJJBVSA-N 0 0 569.502 6.271 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408901471 1070921397 /nfs/dbraw/zinc/92/13/97/1070921397.db2.gz FPXHYQJMGKCUDK-PXLXIMEGSA-N 0 0 569.502 6.271 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408915029 1071010533 /nfs/dbraw/zinc/01/05/33/1071010533.db2.gz OVTSRIQANSXOQW-SFKHYTNKSA-N 0 0 634.610 6.711 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000408920165 1071109718 /nfs/dbraw/zinc/10/97/18/1071109718.db2.gz HXPDNODRSHZVIS-DDBFQISPSA-N 0 0 579.125 5.935 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000408919673 1071115597 /nfs/dbraw/zinc/11/55/97/1071115597.db2.gz BHLLIZIVEVRAGX-PRLWALMFSA-N 0 0 683.637 5.921 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408917629 1071145228 /nfs/dbraw/zinc/14/52/28/1071145228.db2.gz YRABGDPELMRTIW-MTJSOVHGSA-N 0 0 512.385 6.001 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000408917320 1071148412 /nfs/dbraw/zinc/14/84/12/1071148412.db2.gz RATXUECFBGDHTN-ZVHZXABRSA-N 0 0 525.026 5.926 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408930267 1071163390 /nfs/dbraw/zinc/16/33/90/1071163390.db2.gz UUYUOWDTPOGYNT-JVWAILMASA-N 0 0 509.631 6.539 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408927447 1071197130 /nfs/dbraw/zinc/19/71/30/1071197130.db2.gz WYKHLFTXPKBLHW-NXYYLBPMSA-N 0 0 658.607 6.659 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)c1 ZINC000408936737 1071207214 /nfs/dbraw/zinc/20/72/14/1071207214.db2.gz IMGARSXSKGJCRW-SELCLYCASA-N 0 0 627.141 6.083 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000208698579 1071213092 /nfs/dbraw/zinc/21/30/92/1071213092.db2.gz GQRHDRUKCRZKHA-QRQIAZFYSA-N 0 0 511.668 7.450 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933482 1071242430 /nfs/dbraw/zinc/24/24/30/1071242430.db2.gz AYXFFOOWALAADV-AUTFUCJRSA-N 0 0 616.954 5.785 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933478 1071242459 /nfs/dbraw/zinc/24/24/59/1071242459.db2.gz AYCQGZVCHFACSX-NFYDWNOTSA-N 0 0 582.509 5.131 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)cc4)c(=O)n32)cc1OCC ZINC000408944572 1071257897 /nfs/dbraw/zinc/25/78/97/1071257897.db2.gz MVFLOHCOFXLVHR-URPLVSFPSA-N 0 0 676.235 5.894 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944306 1071285121 /nfs/dbraw/zinc/28/51/21/1071285121.db2.gz UZHANBIABULRHM-IKHSWBDUSA-N 0 0 674.263 6.664 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944298 1071285136 /nfs/dbraw/zinc/28/51/36/1071285136.db2.gz UXOXTDRQAAJTBI-NPRXSWCKSA-N 0 0 679.814 6.711 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccc(Cl)cc4Cl)c(=O)n32)cc1OCC ZINC000408943622 1071291600 /nfs/dbraw/zinc/29/16/00/1071291600.db2.gz LRAMVHZFILCGKY-IPUXMKRVSA-N 0 0 710.680 6.548 40 10 KKCBRN Cc1ccc(-n2c(=S)n(-c3ccccc3C)c3nc4ccccc4nc2c3=NNc2ccccc2)cc1 ZINC000104236006 1071309217 /nfs/dbraw/zinc/30/92/17/1071309217.db2.gz JRICANSJVGRQIU-YHZPTAEISA-N 0 0 500.631 8.024 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408940771 1071315465 /nfs/dbraw/zinc/31/54/65/1071315465.db2.gz OQTMUMSENXVBFN-HYARGMPZSA-N 0 0 539.009 5.257 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408939224 1071324724 /nfs/dbraw/zinc/32/47/24/1071324724.db2.gz IFRCFTYCAAXOJL-KCQXITDRSA-N 0 0 687.987 5.391 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938168 1071332821 /nfs/dbraw/zinc/33/28/21/1071332821.db2.gz KWUSEYRTTKTSAF-FFWTUWPMSA-N 0 0 708.708 7.318 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(F)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408937602 1071338336 /nfs/dbraw/zinc/33/83/36/1071338336.db2.gz GZKQFXIRYWSFQL-IGCAUWKCSA-N 0 0 681.786 5.941 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)cc3)C(=O)[C@H]2C1 ZINC000408683700 1071363335 /nfs/dbraw/zinc/36/33/35/1071363335.db2.gz NKLDGZHBLCLKPB-IZLXSDGUSA-N 0 0 502.570 6.730 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408954892 1071388712 /nfs/dbraw/zinc/38/87/12/1071388712.db2.gz ZZJYANDGPFXGLA-FVUNBJOLSA-N 0 0 657.623 6.987 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408954465 1071391380 /nfs/dbraw/zinc/39/13/80/1071391380.db2.gz WYKQGIXIOVBCST-RVKRRNEASA-N 0 0 698.241 6.455 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966368 1071410125 /nfs/dbraw/zinc/41/01/25/1071410125.db2.gz LFKSMYXTXMYHTP-IWIPYMOSSA-N 0 0 566.521 6.829 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1C ZINC000408960352 1071431803 /nfs/dbraw/zinc/43/18/03/1071431803.db2.gz LCPCWUARVLSZKL-IWIPYMOSSA-N 0 0 503.624 5.649 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n21 ZINC000408959432 1071437216 /nfs/dbraw/zinc/43/72/16/1071437216.db2.gz ZQLVARZUGJAAMC-NQMRHMFFSA-N 0 0 648.623 5.982 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n21 ZINC000408958047 1071441874 /nfs/dbraw/zinc/44/18/74/1071441874.db2.gz UWKUGDQZLBFYBG-QUNTYYFUSA-N 0 0 634.596 5.674 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971810 1071451094 /nfs/dbraw/zinc/45/10/94/1071451094.db2.gz LMTBRINWNDFZKN-ATVHPVEESA-N 0 0 508.237 5.900 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408976444 1071470947 /nfs/dbraw/zinc/47/09/47/1071470947.db2.gz FSSQWMIHKGGQCI-XHSDYDGRSA-N 0 0 704.849 6.256 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCOCC2)cc1 ZINC000408976383 1071472482 /nfs/dbraw/zinc/47/24/82/1071472482.db2.gz QVKRDNUQHZNYPS-UHFFFAOYSA-N 0 0 544.636 6.338 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976023 1071473329 /nfs/dbraw/zinc/47/33/29/1071473329.db2.gz OODWTIXAORIFBJ-YNMQQHPQSA-N 0 0 667.569 5.209 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(N5CCOCC5)cc4)C3=O)o2)cc1 ZINC000408987037 1071484487 /nfs/dbraw/zinc/48/44/87/1071484487.db2.gz UZRWMMSKVPDALS-YYADALCUSA-N 0 0 532.596 6.041 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408986035 1071496233 /nfs/dbraw/zinc/49/62/33/1071496233.db2.gz OOEKTBHIKXFAPF-LTGZKZEYSA-N 0 0 545.447 8.524 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br ZINC000408985567 1071499373 /nfs/dbraw/zinc/49/93/73/1071499373.db2.gz MZLJOJVXNKNNLE-RCCKNPSSSA-N 0 0 504.380 6.106 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=O)/C(=C/c4ccc(Cl)cc4Cl)C=C3c3ccccc3)cc2)cc1 ZINC000408985026 1071502498 /nfs/dbraw/zinc/50/24/98/1071502498.db2.gz KLVMDNXNTKCUHY-OQKWZONESA-N 0 0 514.408 8.266 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408984799 1071505821 /nfs/dbraw/zinc/50/58/21/1071505821.db2.gz MXKSQIXXPQVGNU-LXYLXTGBSA-N 0 0 640.987 5.630 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000408984339 1071509564 /nfs/dbraw/zinc/50/95/64/1071509564.db2.gz GWTNIHMBLJOBFN-CJLVFECKSA-N 0 0 526.386 6.967 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408725742 1071518279 /nfs/dbraw/zinc/51/82/79/1071518279.db2.gz HEXFOCJYDNPXIW-HAHDFKILSA-N 0 0 601.487 6.311 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000408724580 1071523999 /nfs/dbraw/zinc/52/39/99/1071523999.db2.gz BYONDLBJJHAVEX-NHFJDJAPSA-N 0 0 534.612 6.919 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408725580 1071520679 /nfs/dbraw/zinc/52/06/79/1071520679.db2.gz KUOFGMZCDJOMMH-NDZAJKAJSA-N 0 0 651.546 9.016 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408725194 1071521159 /nfs/dbraw/zinc/52/11/59/1071521159.db2.gz FXWMMKHKSGBNJW-ITIZVALFSA-N 0 0 643.572 5.180 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408725042 1071521677 /nfs/dbraw/zinc/52/16/77/1071521677.db2.gz GIMXIJZKTSMYKW-UHFFFAOYSA-N 0 0 615.513 8.171 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1 ZINC000408725117 1071522329 /nfs/dbraw/zinc/52/23/29/1071522329.db2.gz HGRGXZLZCMNCBB-MWAVMZGNSA-N 0 0 568.629 7.319 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408723334 1071529262 /nfs/dbraw/zinc/52/92/62/1071529262.db2.gz RHSDMIZQTWBPHD-TZUCAZQYSA-N 0 0 745.523 6.911 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980247 1071540452 /nfs/dbraw/zinc/54/04/52/1071540452.db2.gz FFBRHSLDCJOAIB-SWBDNCPRSA-N 0 0 633.770 5.669 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733750 1071550529 /nfs/dbraw/zinc/55/05/29/1071550529.db2.gz PUCXNZKLFUXUGY-OXWVMCNISA-N 0 0 620.569 5.667 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408733749 1071550557 /nfs/dbraw/zinc/55/05/57/1071550557.db2.gz PUCXNZKLFUXUGY-FHMSYZJOSA-N 0 0 620.569 5.667 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408994220 1071561064 /nfs/dbraw/zinc/56/10/64/1071561064.db2.gz YEORHKFORSFVIQ-WHNPURCTSA-N 0 0 575.775 5.165 40 10 KKCBRN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4c(C)cc(C)cc4C)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000408993777 1071564204 /nfs/dbraw/zinc/56/42/04/1071564204.db2.gz XLMQDKAJEMVIMV-UHFFFAOYSA-N 0 0 622.743 6.965 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408993352 1071565521 /nfs/dbraw/zinc/56/55/21/1071565521.db2.gz VRLSZQYWUTUGKX-UHFFFAOYSA-N 0 0 781.724 9.513 40 10 KKCBRN Cc1nnc(Sc2ccc(C=C3C(=O)N(c4ccc(C)c(Cl)c4)C(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408993148 1071567758 /nfs/dbraw/zinc/56/77/58/1071567758.db2.gz UWWWKPRJLDQZRF-UHFFFAOYSA-N 0 0 656.598 7.578 40 10 KKCBRN Cc1ccccc1NC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408992553 1071571680 /nfs/dbraw/zinc/57/16/80/1071571680.db2.gz UCNLJKOMCISJFA-HHHXNRCGSA-N 0 0 513.667 5.346 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408992353 1071572226 /nfs/dbraw/zinc/57/22/26/1071572226.db2.gz ANXKIJRFZHJRBT-LLXISZFLSA-N 0 0 595.765 5.611 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408992368 1071572606 /nfs/dbraw/zinc/57/26/06/1071572606.db2.gz ARKHOKFDWUAWEQ-OREGWCPLSA-N 0 0 559.540 7.115 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991679 1071579162 /nfs/dbraw/zinc/57/91/62/1071579162.db2.gz OWGYVLZLEQYCCT-PZZZEZCFSA-N 0 0 582.710 5.524 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408991471 1071579658 /nfs/dbraw/zinc/57/96/58/1071579658.db2.gz OIDCZIAYQWUIQI-UHFFFAOYSA-N 0 0 595.771 8.022 40 10 KKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408990634 1071587767 /nfs/dbraw/zinc/58/77/67/1071587767.db2.gz OHHBLUUWAMWMNX-UHFFFAOYSA-N 0 0 539.484 7.147 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c(C)c1 ZINC000408989712 1071594732 /nfs/dbraw/zinc/59/47/32/1071594732.db2.gz LPLIXOJWUVGPDM-NDEPHWFRSA-N 0 0 527.694 5.654 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408728246 1071597112 /nfs/dbraw/zinc/59/71/12/1071597112.db2.gz YAYLHJVPZFJGME-HAHDFKILSA-N 0 0 617.486 6.324 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408744506 1071615983 /nfs/dbraw/zinc/61/59/83/1071615983.db2.gz YHBAGWANZNZIOZ-CAOOACKPSA-N 0 0 611.113 8.087 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCC(=O)Nc2ccc(Cl)cc2)N1 ZINC000408987748 1071611394 /nfs/dbraw/zinc/61/13/94/1071611394.db2.gz GMKXEVSYKYAECG-SANMLTNESA-N 0 0 534.085 5.691 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738065 1071611447 /nfs/dbraw/zinc/61/14/47/1071611447.db2.gz IPMQFDZTVQXYKJ-YVBHXKDBSA-N 0 0 590.145 5.566 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000408737432 1071613609 /nfs/dbraw/zinc/61/36/09/1071613609.db2.gz AMTPXDWJPWXBNV-RCCKNPSSSA-N 0 0 515.396 7.683 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408987320 1071613935 /nfs/dbraw/zinc/61/39/35/1071613935.db2.gz OBUKVBMSNVJSCI-CTHKJOMYSA-N 0 0 628.581 6.650 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408996470 1071618119 /nfs/dbraw/zinc/61/81/19/1071618119.db2.gz PIDORBRMIJBTAS-PLNPHXOGSA-N 0 0 684.681 6.828 40 10 KKCBRN CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000408742848 1071619523 /nfs/dbraw/zinc/61/95/23/1071619523.db2.gz QCXDWRWJUJSBOS-UHFFFAOYSA-N 0 0 505.574 5.644 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409006187 1071626652 /nfs/dbraw/zinc/62/66/52/1071626652.db2.gz YPNMOKKIIUHMBO-JVWAILMASA-N 0 0 555.631 5.035 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409006033 1071627594 /nfs/dbraw/zinc/62/75/94/1071627594.db2.gz HCNKOGWLOVLZSX-ZJTZAHLKSA-N 0 0 610.563 5.911 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OC ZINC000408741514 1071624559 /nfs/dbraw/zinc/62/45/59/1071624559.db2.gz JIDPOQKLTSAIPD-NTUHNPAUSA-N 0 0 513.125 5.052 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409005840 1071627980 /nfs/dbraw/zinc/62/79/80/1071627980.db2.gz GQIPPDKDRJQUCC-IUXPMGMMSA-N 0 0 503.270 6.556 40 10 KKCBRN CNc1c(I)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I ZINC000408741421 1071625721 /nfs/dbraw/zinc/62/57/21/1071625721.db2.gz ITUIGNUCRKBJST-WUXMJOGZSA-N 0 0 563.560 5.572 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409006049 1071626015 /nfs/dbraw/zinc/62/60/15/1071626015.db2.gz HEGBAGJWXDIZRY-UHFFFAOYSA-N 0 0 711.884 8.319 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)NC1=S ZINC000409005506 1071629012 /nfs/dbraw/zinc/62/90/12/1071629012.db2.gz FFUGZRWOONXZQF-APSNUPSMSA-N 0 0 565.114 6.175 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408740645 1071629097 /nfs/dbraw/zinc/62/90/97/1071629097.db2.gz CTSPMLHNRZIMMP-WOJGMQOQSA-N 0 0 502.191 7.316 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409004784 1071631527 /nfs/dbraw/zinc/63/15/27/1071631527.db2.gz RLLHKDGQUYBMQJ-MFKUBSTISA-N 0 0 562.022 5.189 40 10 KKCBRN CNc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1I ZINC000408739905 1071632028 /nfs/dbraw/zinc/63/20/28/1071632028.db2.gz BQZKWIXLJQWNCH-NDENLUEZSA-N 0 0 693.348 6.303 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409004632 1071632086 /nfs/dbraw/zinc/63/20/86/1071632086.db2.gz AXYWMMUVKSLPNU-ORVZPOCUSA-N 0 0 580.537 5.821 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000408739996 1071632687 /nfs/dbraw/zinc/63/26/87/1071632687.db2.gz HKKPPGLAKIJTHB-BWAHOGKJSA-N 0 0 510.640 6.477 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000408757191 1071633223 /nfs/dbraw/zinc/63/32/23/1071633223.db2.gz VPODVRARZKHSTH-ULKFGACSSA-N 0 0 586.673 6.057 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409003151 1071637672 /nfs/dbraw/zinc/63/76/72/1071637672.db2.gz YHZCTKLCMNESQS-BOCWGRARSA-N 0 0 518.704 6.371 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1 ZINC000409002678 1071640164 /nfs/dbraw/zinc/64/01/64/1071640164.db2.gz WDKWDTRLOFDALN-BXTSTYNKSA-N 0 0 504.677 6.117 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409002296 1071641275 /nfs/dbraw/zinc/64/12/75/1071641275.db2.gz ZOUDGTVXVATYDL-IWVFXYMLSA-N 0 0 518.704 6.425 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001861 1071642954 /nfs/dbraw/zinc/64/29/54/1071642954.db2.gz XAQBRWTUUMXXFM-BKEMPNEJSA-N 0 0 628.754 7.180 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409016965 1071665580 /nfs/dbraw/zinc/66/55/80/1071665580.db2.gz CBKUEOSEKUFUOC-ADUBFANXSA-N 0 0 661.780 5.447 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409016930 1071665600 /nfs/dbraw/zinc/66/56/00/1071665600.db2.gz UJENYQVYEZZBGB-YDZHTSKRSA-N 0 0 561.443 5.251 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409016695 1071666707 /nfs/dbraw/zinc/66/67/07/1071666707.db2.gz GTVGVKLVRBYYDT-OVVQPSECSA-N 0 0 625.663 6.657 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409016600 1071666745 /nfs/dbraw/zinc/66/67/45/1071666745.db2.gz DVPPTIBMGHUITM-LPYMAVHISA-N 0 0 508.987 5.219 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409016447 1071667207 /nfs/dbraw/zinc/66/72/07/1071667207.db2.gz COWMFJQHRXTNIX-MTDXEUNCSA-N 0 0 550.083 7.060 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409016554 1071667748 /nfs/dbraw/zinc/66/77/48/1071667748.db2.gz DONGSDRSJSCVHS-KQWNVCNZSA-N 0 0 524.539 6.389 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409016490 1071667795 /nfs/dbraw/zinc/66/77/95/1071667795.db2.gz JOSXHXVJYARJHU-BUELQQIUSA-N 0 0 615.799 6.775 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409015983 1071669357 /nfs/dbraw/zinc/66/93/57/1071669357.db2.gz TVYKUQZDQAWZLR-ONUIUJJFSA-N 0 0 526.061 6.804 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014554 1071674933 /nfs/dbraw/zinc/67/49/33/1071674933.db2.gz QDIVOYONNGIZBD-UZWMFBFFSA-N 0 0 610.732 6.473 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015096 1071673819 /nfs/dbraw/zinc/67/38/19/1071673819.db2.gz YOWVBWIMOXDLRQ-NDZAJKAJSA-N 0 0 679.622 7.862 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409014277 1071676663 /nfs/dbraw/zinc/67/66/63/1071676663.db2.gz WVLGGVCMFIVYMS-RUMWWMSVSA-N 0 0 624.738 6.197 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n21 ZINC000409013700 1071678817 /nfs/dbraw/zinc/67/88/17/1071678817.db2.gz DBLGHMINIOTCJD-TZUCAZQYSA-N 0 0 663.638 5.431 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409013435 1071680387 /nfs/dbraw/zinc/68/03/87/1071680387.db2.gz NHZNYSMLHHBGAI-OVVQPSECSA-N 0 0 621.086 6.340 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409012995 1071681908 /nfs/dbraw/zinc/68/19/08/1071681908.db2.gz LWDDWJRFTHKNCG-NHDPSOOVSA-N 0 0 560.275 7.041 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409012968 1071681917 /nfs/dbraw/zinc/68/19/17/1071681917.db2.gz LRMMHWFCMIKOLR-NJZRLIGZSA-N 0 0 653.786 6.539 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012813 1071682483 /nfs/dbraw/zinc/68/24/83/1071682483.db2.gz LBNUGCLLKWMLKU-UXHLAJHPSA-N 0 0 600.693 5.753 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(CC)C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409012599 1071683426 /nfs/dbraw/zinc/68/34/26/1071683426.db2.gz KQXPNLNRCVFWNG-NLRVBDNBSA-N 0 0 535.113 6.157 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409012061 1071685126 /nfs/dbraw/zinc/68/51/26/1071685126.db2.gz IQSGCTNXEOWBEZ-YZSQISJMSA-N 0 0 568.674 6.519 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408760267 1071697987 /nfs/dbraw/zinc/69/79/87/1071697987.db2.gz VQQPLFBEOFUJRS-XDHOZWIPSA-N 0 0 572.709 7.914 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408760553 1071696251 /nfs/dbraw/zinc/69/62/51/1071696251.db2.gz ASWMFGVBQGTTRG-VQMDLGMUSA-N 0 0 665.815 7.019 40 10 KKCBRN COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2cccc(Br)c2)C1=O ZINC000408760353 1071696898 /nfs/dbraw/zinc/69/68/98/1071696898.db2.gz XCSVTVYBMPKAFW-CPNJWEJPSA-N 0 0 523.839 7.160 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 ZINC000408760391 1071696902 /nfs/dbraw/zinc/69/69/02/1071696902.db2.gz XWGPWBHKCBOYJJ-UDWIEESQSA-N 0 0 516.620 6.700 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409009028 1071697294 /nfs/dbraw/zinc/69/72/94/1071697294.db2.gz BFJUBEIPKRKMHV-WPWMEQJKSA-N 0 0 542.433 6.533 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)NC1=S ZINC000409008512 1071699900 /nfs/dbraw/zinc/69/99/00/1071699900.db2.gz ZNQKYGDHLOPWSE-SXGWCWSVSA-N 0 0 530.669 5.522 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)NC1=S ZINC000409008064 1071701643 /nfs/dbraw/zinc/70/16/43/1071701643.db2.gz VONVTIIQJSLJTK-SXGWCWSVSA-N 0 0 514.214 5.007 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409007679 1071702128 /nfs/dbraw/zinc/70/21/28/1071702128.db2.gz QQYZHQJGMHMLSW-SXGWCWSVSA-N 0 0 547.721 6.665 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409007935 1071702186 /nfs/dbraw/zinc/70/21/86/1071702186.db2.gz RYMPRNZSTPNVNP-BWAHOGKJSA-N 0 0 526.618 5.560 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409023489 1071715418 /nfs/dbraw/zinc/71/54/18/1071715418.db2.gz FCBAOAFXZGJKGF-UCQKPKSFSA-N 0 0 523.507 6.170 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409024120 1071713083 /nfs/dbraw/zinc/71/30/83/1071713083.db2.gz WNXRELUFPQBEAR-AOFXREQWSA-N 0 0 605.739 5.487 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409022088 1071720472 /nfs/dbraw/zinc/72/04/72/1071720472.db2.gz DVSDDNUBRUGDNV-MDNSZFDISA-N 0 0 646.813 5.808 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022899 1071717266 /nfs/dbraw/zinc/71/72/66/1071717266.db2.gz HTAHZKVKOIRDLH-XGLKJEJJSA-N 0 0 593.778 5.409 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CCc4ccc(OC)c(OC)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000408766717 1071719038 /nfs/dbraw/zinc/71/90/38/1071719038.db2.gz FLXNEEKTXXINEK-DIBXZPPDSA-N 0 0 544.648 5.425 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409021671 1071721381 /nfs/dbraw/zinc/72/13/81/1071721381.db2.gz SKIGKNWJIBAIFO-NLRVBDNBSA-N 0 0 536.657 5.542 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409021181 1071724005 /nfs/dbraw/zinc/72/40/05/1071724005.db2.gz YTCNQSCKPKYYHW-JVWAILMASA-N 0 0 655.556 6.752 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020085 1071727460 /nfs/dbraw/zinc/72/74/60/1071727460.db2.gz LVBSQAXQYFQUEQ-BIZUNTBRSA-N 0 0 661.176 6.514 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408764404 1071729099 /nfs/dbraw/zinc/72/90/99/1071729099.db2.gz RSXKDCYGFNCEFX-XDHOZWIPSA-N 0 0 528.258 7.805 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409019570 1071729566 /nfs/dbraw/zinc/72/95/66/1071729566.db2.gz JUNZSWKEGBJOCU-AJBULDERSA-N 0 0 647.149 6.600 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408763546 1071731399 /nfs/dbraw/zinc/73/13/99/1071731399.db2.gz STMZJCVQVAXPAT-JOHYPREOSA-N 0 0 698.639 6.123 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n21 ZINC000409018017 1071734832 /nfs/dbraw/zinc/73/48/32/1071734832.db2.gz PIIGCLNYJOHQRY-SZYVSPPHSA-N 0 0 634.596 5.674 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C4CCCCC4)cc3)C2=O)cc1OC ZINC000408761923 1071738471 /nfs/dbraw/zinc/73/84/71/1071738471.db2.gz MJXBMSIIXNNZCG-XIEYBQDHSA-N 0 0 500.038 7.876 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409037104 1071738662 /nfs/dbraw/zinc/73/86/62/1071738662.db2.gz MZLVFZFDXYNEQK-OVCLIPMQSA-N 0 0 571.329 7.473 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408770083 1071744186 /nfs/dbraw/zinc/74/41/86/1071744186.db2.gz SMNYOHSJISJPKZ-XNMXCUJWSA-N 0 0 557.719 6.043 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000409036168 1071744780 /nfs/dbraw/zinc/74/47/80/1071744780.db2.gz ADGRFOPHDAKIJG-CXUHLZMHSA-N 0 0 598.309 6.680 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(Cl)cc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2OC)cc1 ZINC000409036209 1071744837 /nfs/dbraw/zinc/74/48/37/1071744837.db2.gz APILTVZFWCEIJX-MFOYZWKCSA-N 0 0 594.920 6.606 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408776116 1071750851 /nfs/dbraw/zinc/75/08/51/1071750851.db2.gz UHJNVKLIYBKPAB-QHDYCIAZSA-N 0 0 690.663 8.801 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000409034716 1071757548 /nfs/dbraw/zinc/75/75/48/1071757548.db2.gz QUHCDMZVIWDODC-NULZLWRNSA-N 0 0 634.596 5.757 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(C)cc1 ZINC000409034498 1071760800 /nfs/dbraw/zinc/76/08/00/1071760800.db2.gz HHCFNBGHXPBNNU-WOJGMQOQSA-N 0 0 516.466 6.474 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccccc1F ZINC000409034327 1071761749 /nfs/dbraw/zinc/76/17/49/1071761749.db2.gz NNPHHURDFHRJIZ-JAIQZWGSSA-N 0 0 571.477 6.265 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)sc2=N1 ZINC000409034071 1071765028 /nfs/dbraw/zinc/76/50/28/1071765028.db2.gz GMKJQTTZIHFPAW-HDFSHUSISA-N 0 0 539.701 5.329 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409032924 1071773700 /nfs/dbraw/zinc/77/37/00/1071773700.db2.gz DWOLFNQJDZVKGP-NSIKDUERSA-N 0 0 600.269 6.577 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409032780 1071775205 /nfs/dbraw/zinc/77/52/05/1071775205.db2.gz DIFGODAWVYGXIQ-QRVIBDJDSA-N 0 0 585.960 7.828 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408772288 1071775581 /nfs/dbraw/zinc/77/55/81/1071775581.db2.gz KGXZVCUUTOZGFD-IMRQLAEWSA-N 0 0 516.638 5.515 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408772045 1071776228 /nfs/dbraw/zinc/77/62/28/1071776228.db2.gz MSKPOXLWSXZBJO-UCQKPKSFSA-N 0 0 509.433 6.977 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409032895 1071777010 /nfs/dbraw/zinc/77/70/10/1071777010.db2.gz DSUDJQZAXHHNDR-LDADJPATSA-N 0 0 509.478 6.808 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)SC1=S ZINC000409032358 1071779957 /nfs/dbraw/zinc/77/99/57/1071779957.db2.gz CWAVOWDVNNEPNF-NVMNQCDNSA-N 0 0 559.320 6.787 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409031845 1071785677 /nfs/dbraw/zinc/78/56/77/1071785677.db2.gz BQIUEYHQCLFKDF-QRVIBDJDSA-N 0 0 542.520 7.047 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(OC)c(OC)cc3Br)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408769550 1071791771 /nfs/dbraw/zinc/79/17/71/1071791771.db2.gz NSLJHVOWAXNZCZ-FZEVDNDPSA-N 0 0 708.631 5.162 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000409031316 1071788574 /nfs/dbraw/zinc/78/85/74/1071788574.db2.gz AORHLQRLFFCPKA-MHWRWJLKSA-N 0 0 537.282 6.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030443 1071796715 /nfs/dbraw/zinc/79/67/15/1071796715.db2.gz DGWDWWSHKFPBSW-LEWFHKMSSA-N 0 0 713.853 5.174 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c1 ZINC000409031156 1071792647 /nfs/dbraw/zinc/79/26/47/1071792647.db2.gz JBZLHNKIQOGHNK-XYOKQWHBSA-N 0 0 510.802 5.888 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030660 1071796282 /nfs/dbraw/zinc/79/62/82/1071796282.db2.gz DYLXFYNWBNZTKW-ITNPZBTBSA-N 0 0 664.622 5.764 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768672 1071798211 /nfs/dbraw/zinc/79/82/11/1071798211.db2.gz JNEJMCOWWYWHRZ-ALUWMOPFSA-N 0 0 715.464 5.748 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409030392 1071799324 /nfs/dbraw/zinc/79/93/24/1071799324.db2.gz DDCPXMSHPTYLIV-UKWGHVSLSA-N 0 0 622.377 7.433 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409030396 1071799350 /nfs/dbraw/zinc/79/93/50/1071799350.db2.gz DDQXQNFECYTRAF-YBEGLDIGSA-N 0 0 564.341 7.806 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409030197 1071800197 /nfs/dbraw/zinc/80/01/97/1071800197.db2.gz DQLPKFNKGQQOBD-WTKPLQERSA-N 0 0 634.080 5.406 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408768441 1071800834 /nfs/dbraw/zinc/80/08/34/1071800834.db2.gz JDZRDVGMKHKMPI-CXABMRDKSA-N 0 0 513.666 5.726 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409030014 1071802182 /nfs/dbraw/zinc/80/21/82/1071802182.db2.gz BNTRWRSAHDIRRQ-WQRHYEAKSA-N 0 0 513.441 6.639 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408782147 1071812514 /nfs/dbraw/zinc/81/25/14/1071812514.db2.gz HZKSZSBBGZLHTG-UUYOSTAYSA-N 0 0 511.405 6.287 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408780999 1071821115 /nfs/dbraw/zinc/82/11/15/1071821115.db2.gz PONXUNHGHSULLU-HMAPJEAMSA-N 0 0 581.850 5.997 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037861 1071820477 /nfs/dbraw/zinc/82/04/77/1071820477.db2.gz OAAKSFQDSRTCKG-ZJKBLPEWSA-N 0 0 709.840 6.720 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047129 1071826177 /nfs/dbraw/zinc/82/61/77/1071826177.db2.gz MUYMCRHIXVPNIZ-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408780421 1071824897 /nfs/dbraw/zinc/82/48/97/1071824897.db2.gz YDFHMKPZLBGAJX-JLPGSUDCSA-N 0 0 509.002 5.045 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408779408 1071830292 /nfs/dbraw/zinc/83/02/92/1071830292.db2.gz DQHDSCFUXHNOJS-HMAPJEAMSA-N 0 0 520.944 5.374 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408778661 1071835778 /nfs/dbraw/zinc/83/57/78/1071835778.db2.gz JVKKSIZRYHTNCM-ONUIUJJFSA-N 0 0 575.459 5.064 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000408779085 1071832073 /nfs/dbraw/zinc/83/20/73/1071832073.db2.gz QRVAEOMKBZCCGJ-IMRQLAEWSA-N 0 0 528.649 5.643 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)sc2=N1 ZINC000409046464 1071832752 /nfs/dbraw/zinc/83/27/52/1071832752.db2.gz KHARRNVJFWQNNR-DDBFQISPSA-N 0 0 547.680 5.359 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2Br)cc1 ZINC000409046323 1071834650 /nfs/dbraw/zinc/83/46/50/1071834650.db2.gz JXGSAGUPVZIOMB-GRSHGNNSSA-N 0 0 555.357 6.956 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408777639 1071842014 /nfs/dbraw/zinc/84/20/14/1071842014.db2.gz DVHDKMUOGVELFQ-GWXNNEATSA-N 0 0 601.772 6.467 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408777425 1071842517 /nfs/dbraw/zinc/84/25/17/1071842517.db2.gz YWTMSWFRIBVBBG-OIADIFTFSA-N 0 0 524.617 5.437 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408786616 1071848143 /nfs/dbraw/zinc/84/81/43/1071848143.db2.gz SUQAYRSPKMZGIF-WWWKDLBZSA-N 0 0 579.747 5.934 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408785912 1071853733 /nfs/dbraw/zinc/85/37/33/1071853733.db2.gz JRHHPZNAJXDGRI-VEILYXNESA-N 0 0 540.616 5.713 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)C=C3c3ccc(C)cc3)cc2)cc1 ZINC000408786007 1071854356 /nfs/dbraw/zinc/85/43/56/1071854356.db2.gz DPWZENGXSSBVRP-LYBHJNIJSA-N 0 0 504.542 7.175 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408784756 1071861434 /nfs/dbraw/zinc/86/14/34/1071861434.db2.gz XEYBKWMSBQMMKZ-VCLSCOGJSA-N 0 0 670.662 7.773 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408784815 1071861931 /nfs/dbraw/zinc/86/19/31/1071861931.db2.gz TTZFAFIKYVMGMX-MYYYXRDXSA-N 0 0 516.981 5.543 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000409042895 1071864314 /nfs/dbraw/zinc/86/43/14/1071864314.db2.gz LGTQCTGYLLSWEM-MIUGUJGPSA-N 0 0 679.593 5.665 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042284 1071870846 /nfs/dbraw/zinc/87/08/46/1071870846.db2.gz XCNASYQDPWOXRJ-XSTKMXAKSA-N 0 0 654.616 6.308 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1Br ZINC000408783634 1071868818 /nfs/dbraw/zinc/86/88/18/1071868818.db2.gz NZABVJMQEUESGV-CIAFOILYSA-N 0 0 556.254 6.605 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409042093 1071875287 /nfs/dbraw/zinc/87/52/87/1071875287.db2.gz XMNVEJQNDYZQCX-VIZOYTHASA-N 0 0 646.204 7.301 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC1=S ZINC000409041768 1071877673 /nfs/dbraw/zinc/87/76/73/1071877673.db2.gz VPBREQJGHFVVLM-OCKHKDLRSA-N 0 0 531.324 7.192 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000409042182 1071873332 /nfs/dbraw/zinc/87/33/32/1071873332.db2.gz WQLGOTLQLOFFOT-KEPJHFNWSA-N 0 0 624.590 6.301 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000409042177 1071873378 /nfs/dbraw/zinc/87/33/78/1071873378.db2.gz BSYDKKQSLVOXHM-HZHRSRAPSA-N 0 0 507.943 7.308 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Br)cc1 ZINC000409041350 1071881900 /nfs/dbraw/zinc/88/19/00/1071881900.db2.gz ZXSGVQSCOWPZRW-YBEGLDIGSA-N 0 0 567.308 6.538 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409041106 1071882326 /nfs/dbraw/zinc/88/23/26/1071882326.db2.gz ZDLKPVSPMIYHQD-UWVJOHFNSA-N 0 0 531.324 7.192 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409041299 1071881243 /nfs/dbraw/zinc/88/12/43/1071881243.db2.gz UQDJOPRLEWHETA-JMIUGGIZSA-N 0 0 575.377 7.591 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409040065 1071894783 /nfs/dbraw/zinc/89/47/83/1071894783.db2.gz SHRIIJYCQOAROR-GRSHGNNSSA-N 0 0 537.457 5.802 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409039506 1071897524 /nfs/dbraw/zinc/89/75/24/1071897524.db2.gz GVELVWPKNHWRTO-CHHVJCJISA-N 0 0 697.623 7.788 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039208 1071900264 /nfs/dbraw/zinc/90/02/64/1071900264.db2.gz QWRQMVJKOPPMRQ-QEEORQGDSA-N 0 0 698.625 5.463 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408787346 1071900700 /nfs/dbraw/zinc/90/07/00/1071900700.db2.gz YFMATOBANALZTJ-LHOSBTIMSA-N 0 0 741.695 7.380 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408805123 1071908134 /nfs/dbraw/zinc/90/81/34/1071908134.db2.gz FBDDZFPLSCXKMZ-GTTXDWGESA-N 0 0 596.558 7.753 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049474 1071913017 /nfs/dbraw/zinc/91/30/17/1071913017.db2.gz XBTQKJJJWWHYQN-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409056799 1071919800 /nfs/dbraw/zinc/91/98/00/1071919800.db2.gz ISDLSEYDRSLUBR-MYYYXRDXSA-N 0 0 505.014 6.332 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409055412 1071927348 /nfs/dbraw/zinc/92/73/48/1071927348.db2.gz BUEVMDGCUXZSHB-MYYYXRDXSA-N 0 0 563.448 5.911 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409055366 1071929089 /nfs/dbraw/zinc/92/90/89/1071929089.db2.gz KZGFXRKJNQMQTQ-STZFKDTASA-N 0 0 525.830 6.387 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409054771 1071932726 /nfs/dbraw/zinc/93/27/26/1071932726.db2.gz BOBFELPTRDVZDS-UUYOSTAYSA-N 0 0 525.432 6.595 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409053589 1071939267 /nfs/dbraw/zinc/93/92/67/1071939267.db2.gz NKDJBKISAAXEJT-MSXFZWOLSA-N 0 0 574.949 7.400 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409053070 1071941291 /nfs/dbraw/zinc/94/12/91/1071941291.db2.gz XBRPFQMJQPDZTQ-YUMHPJSZSA-N 0 0 637.564 7.742 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409049675 1071964077 /nfs/dbraw/zinc/96/40/77/1071964077.db2.gz XRRFSHIPSKDTQL-UHFFFAOYSA-N 0 0 640.490 6.449 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409048688 1071968228 /nfs/dbraw/zinc/96/82/28/1071968228.db2.gz UNZJVPRBCVOBTP-RGVLZGJSSA-N 0 0 588.227 5.905 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409048418 1071970970 /nfs/dbraw/zinc/97/09/70/1071970970.db2.gz WMHYZCLYFFIJKT-PDGQHHTCSA-N 0 0 530.449 5.944 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000409047976 1071974462 /nfs/dbraw/zinc/97/44/62/1071974462.db2.gz VKRSECOROMCPRD-KEPJHFNWSA-N 0 0 669.041 6.411 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047935 1071977198 /nfs/dbraw/zinc/97/71/98/1071977198.db2.gz VGRIFTGCQLLUCQ-KFOJKGMOSA-N 0 0 613.780 5.618 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047932 1071977205 /nfs/dbraw/zinc/97/72/05/1071977205.db2.gz VGRIFTGCQLLUCQ-FVUNBJOLSA-N 0 0 613.780 5.618 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409059468 1071980979 /nfs/dbraw/zinc/98/09/79/1071980979.db2.gz RKGMVBUFPNSJPV-FBHDLOMBSA-N 0 0 549.376 7.297 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409058807 1071984793 /nfs/dbraw/zinc/98/47/93/1071984793.db2.gz TXJLGTUYGJBTSX-VROXFSQNSA-N 0 0 609.394 8.053 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409057820 1071991388 /nfs/dbraw/zinc/99/13/88/1071991388.db2.gz MKBTZNCWAHKQDZ-ZRYJBNJPSA-N 0 0 614.167 5.588 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409067125 1071998203 /nfs/dbraw/zinc/99/82/03/1071998203.db2.gz JKCZYRQNLHGWNA-JWGURIENSA-N 0 0 513.465 6.964 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409065271 1072010919 /nfs/dbraw/zinc/01/09/19/1072010919.db2.gz FMWYOEJAVCRZFH-QJOMJCCJSA-N 0 0 518.585 5.166 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409064751 1072012388 /nfs/dbraw/zinc/01/23/88/1072012388.db2.gz FCULEOJHRSIYJE-IPPBACCNSA-N 0 0 526.080 7.313 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409062621 1072023386 /nfs/dbraw/zinc/02/33/86/1072023386.db2.gz XVCIOZWZCNBGHW-ZYANMAATSA-N 0 0 595.790 5.648 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409062276 1072024718 /nfs/dbraw/zinc/02/47/18/1072024718.db2.gz REIBUZOWHOKBKF-UQQQWYQISA-N 0 0 514.578 5.157 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409062519 1072024733 /nfs/dbraw/zinc/02/47/33/1072024733.db2.gz VZCAYNDXGYPQEG-BKUYFWCQSA-N 0 0 528.958 6.952 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409062200 1072025738 /nfs/dbraw/zinc/02/57/38/1072025738.db2.gz PMPKCCJGYNJTQR-JCMHNJIXSA-N 0 0 553.442 6.455 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409061461 1072029466 /nfs/dbraw/zinc/02/94/66/1072029466.db2.gz XIZYQPAZLFKSSG-QRVIBDJDSA-N 0 0 559.382 6.753 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409061327 1072030453 /nfs/dbraw/zinc/03/04/53/1072030453.db2.gz CZJLMLVIQGPSBB-NHDPSOOVSA-N 0 0 529.851 7.240 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409060923 1072032413 /nfs/dbraw/zinc/03/24/13/1072032413.db2.gz XBLJIFCCBVJFMA-YSMPRRRNSA-N 0 0 503.042 7.057 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409060648 1072033717 /nfs/dbraw/zinc/03/37/17/1072033717.db2.gz SACRZODTEDKPJD-JLPGSUDCSA-N 0 0 549.465 6.441 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409060133 1072035904 /nfs/dbraw/zinc/03/59/04/1072035904.db2.gz XRALBVPQWPUMOD-UHFFFAOYSA-N 0 0 654.517 6.757 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409076854 1072048005 /nfs/dbraw/zinc/04/80/05/1072048005.db2.gz CCJGLHMKUKNFHP-MFKUBSTISA-N 0 0 788.420 7.979 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409077130 1072043757 /nfs/dbraw/zinc/04/37/57/1072043757.db2.gz CZDKPQWHKOPXGA-NGMPYOPUSA-N 0 0 638.230 7.478 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409076964 1072046049 /nfs/dbraw/zinc/04/60/49/1072046049.db2.gz CBBKNEOAOJXFRH-UTAOYMJKSA-N 0 0 588.733 5.598 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S ZINC000409076306 1072051849 /nfs/dbraw/zinc/05/18/49/1072051849.db2.gz AKEUBZFATUHPER-YVLHZVERSA-N 0 0 555.248 5.166 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409076393 1072052655 /nfs/dbraw/zinc/05/26/55/1072052655.db2.gz AVRKYRNEPHLVIT-LELXDKESSA-N 0 0 616.340 6.013 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070885 1072092021 /nfs/dbraw/zinc/09/20/21/1072092021.db2.gz PGBYVCXMIIXWGO-DEDYPNTBSA-N 0 0 576.266 5.785 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070674 1072094464 /nfs/dbraw/zinc/09/44/64/1072094464.db2.gz DNGVMEYIVGUTCF-KGENOOAVSA-N 0 0 541.423 5.422 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409069117 1072107317 /nfs/dbraw/zinc/10/73/17/1072107317.db2.gz LKBAEXNOVOZCKU-MYYYXRDXSA-N 0 0 505.014 6.332 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409068271 1072112217 /nfs/dbraw/zinc/11/22/17/1072112217.db2.gz LATBBMJBVLAXTE-MFCBUNOESA-N 0 0 590.543 5.277 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409080839 1072118375 /nfs/dbraw/zinc/11/83/75/1072118375.db2.gz NUGJLLOQUWFGOS-ONUIUJJFSA-N 0 0 513.424 7.715 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409080658 1072119687 /nfs/dbraw/zinc/11/96/87/1072119687.db2.gz FNYFZNIFKLPZTG-CPIUSTHESA-N 0 0 638.230 7.478 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079879 1072129787 /nfs/dbraw/zinc/12/97/87/1072129787.db2.gz GTIZOHKWAAIRLS-HAHDFKILSA-N 0 0 622.744 8.279 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409079427 1072135074 /nfs/dbraw/zinc/13/50/74/1072135074.db2.gz FUCHWKWWKXPCDZ-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409079154 1072138608 /nfs/dbraw/zinc/13/86/08/1072138608.db2.gz KEQFVBBHUYPRGU-DIBXZPPDSA-N 0 0 523.430 7.171 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409078484 1072143972 /nfs/dbraw/zinc/14/39/72/1072143972.db2.gz IIQMAZJZYASULQ-WSLMLHKMSA-N 0 0 697.785 6.508 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409078051 1072148134 /nfs/dbraw/zinc/14/81/34/1072148134.db2.gz HFCUYYAZLRCMCD-SLCIXIPPSA-N 0 0 524.491 6.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409077587 1072155705 /nfs/dbraw/zinc/15/57/05/1072155705.db2.gz FJZBXCXSDXIXAZ-SJJOQSKNSA-N 0 0 603.387 7.114 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409086066 1072169885 /nfs/dbraw/zinc/16/98/85/1072169885.db2.gz QAQFRJWTKOJKRY-QREGZJMFSA-N 0 0 520.470 5.417 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085263 1072180449 /nfs/dbraw/zinc/18/04/49/1072180449.db2.gz YSIWTAWLKUXJDJ-IWIPYMOSSA-N 0 0 544.394 7.315 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000409085137 1072182175 /nfs/dbraw/zinc/18/21/75/1072182175.db2.gz WPJHBHZRGCDKOZ-NTNOMAAHSA-N 0 0 602.760 5.907 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409084666 1072187015 /nfs/dbraw/zinc/18/70/15/1072187015.db2.gz VWIOVZNGZCGWDC-ULJHMMPZSA-N 0 0 545.016 5.951 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409084240 1072192336 /nfs/dbraw/zinc/19/23/36/1072192336.db2.gz XIQOAWJCAGHKDV-LELXDKESSA-N 0 0 508.434 5.547 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083689 1072199020 /nfs/dbraw/zinc/19/90/20/1072199020.db2.gz UFBUDRUNLIRZAR-QRVIBDJDSA-N 0 0 657.189 8.932 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000409083160 1072202346 /nfs/dbraw/zinc/20/23/46/1072202346.db2.gz UUHDIIWSCFACRP-OGMUYLFESA-N 0 0 592.696 5.429 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082197 1072214970 /nfs/dbraw/zinc/21/49/70/1072214970.db2.gz ROFRCMXOFCSEIL-ULJHMMPZSA-N 0 0 549.435 6.596 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409081096 1072224989 /nfs/dbraw/zinc/22/49/89/1072224989.db2.gz MZOMVMQMXJHDMI-MYYYXRDXSA-N 0 0 669.346 8.410 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409326425 1072247613 /nfs/dbraw/zinc/24/76/13/1072247613.db2.gz BORZFVCMXYJQQY-MYYYXRDXSA-N 0 0 507.702 7.100 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409327044 1072243222 /nfs/dbraw/zinc/24/32/22/1072243222.db2.gz HBERRCSTUCZXHL-UFFVCSGVSA-N 0 0 699.329 6.609 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409327100 1072243701 /nfs/dbraw/zinc/24/37/01/1072243701.db2.gz HXMDFUDPQAFUEG-YVLHZVERSA-N 0 0 500.350 7.678 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409326688 1072244568 /nfs/dbraw/zinc/24/45/68/1072244568.db2.gz DGEVEEDGXWUCDN-HZHRSRAPSA-N 0 0 602.519 6.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409326701 1072244973 /nfs/dbraw/zinc/24/49/73/1072244973.db2.gz DNHARAGKOJCDTO-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409326394 1072247133 /nfs/dbraw/zinc/24/71/33/1072247133.db2.gz BHOPXYONQIKPMJ-CIAFOILYSA-N 0 0 530.580 5.216 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000409326347 1072249504 /nfs/dbraw/zinc/24/95/04/1072249504.db2.gz AQVQODRIDLJBSJ-WGOQTCKBSA-N 0 0 635.561 6.745 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409092544 1072261653 /nfs/dbraw/zinc/26/16/53/1072261653.db2.gz WYLGMCLRZJVLJN-ITYLOYPMSA-N 0 0 543.848 7.516 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409091424 1072272204 /nfs/dbraw/zinc/27/22/04/1072272204.db2.gz UGZQSGADPIXHDA-UFKHLRDRSA-N 0 0 683.672 6.435 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)NC1=S ZINC000409090469 1072280638 /nfs/dbraw/zinc/28/06/38/1072280638.db2.gz NKBIDGDTIXJNJV-YVLHZVERSA-N 0 0 540.277 5.267 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090515 1072280682 /nfs/dbraw/zinc/28/06/82/1072280682.db2.gz PUHUMBHHVILIPE-XDHOZWIPSA-N 0 0 546.299 6.975 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409089518 1072289391 /nfs/dbraw/zinc/28/93/91/1072289391.db2.gz NYGCIHPKTYXYHA-OEAKJJBVSA-N 0 0 536.606 5.426 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409089165 1072291396 /nfs/dbraw/zinc/29/13/96/1072291396.db2.gz HNUFJAAIBWBKFU-HSGPEQJXSA-N 0 0 559.334 6.715 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1Cl ZINC000409088714 1072295393 /nfs/dbraw/zinc/29/53/93/1072295393.db2.gz XNPNHFXOICUJLH-JLPGSUDCSA-N 0 0 620.874 7.367 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409088608 1072296714 /nfs/dbraw/zinc/29/67/14/1072296714.db2.gz FWKXEZUGHFGPQP-HNIBHBHRSA-N 0 0 603.785 6.824 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088448 1072298076 /nfs/dbraw/zinc/29/80/76/1072298076.db2.gz JNSFTUFENMOHFM-IPAKXIGBSA-N 0 0 650.595 5.376 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409102044 1072310568 /nfs/dbraw/zinc/31/05/68/1072310568.db2.gz UPJJKIPDAUVAEC-STBIYBPSSA-N 0 0 552.606 5.652 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409087424 1072308157 /nfs/dbraw/zinc/30/81/57/1072308157.db2.gz YRHYFJUFFOIANA-UHFFFAOYSA-N 0 0 726.308 7.058 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 ZINC000409100698 1072318138 /nfs/dbraw/zinc/31/81/38/1072318138.db2.gz WIHYTBJYTSOZPV-UCQKPKSFSA-N 0 0 510.015 5.821 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409101545 1072313393 /nfs/dbraw/zinc/31/33/93/1072313393.db2.gz YEFNIWXABIIGMV-JVWAILMASA-N 0 0 585.638 6.971 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409101431 1072314368 /nfs/dbraw/zinc/31/43/68/1072314368.db2.gz YFVPQRSDAIDJJX-MIUGUJGPSA-N 0 0 607.151 5.312 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1O ZINC000409099757 1072325011 /nfs/dbraw/zinc/32/50/11/1072325011.db2.gz TYKRTWARNFDCEQ-RGVLZGJSSA-N 0 0 606.438 5.803 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000409099324 1072327177 /nfs/dbraw/zinc/32/71/77/1072327177.db2.gz LBTIFYNYXZCRNO-ZCTHSVRISA-N 0 0 591.733 8.104 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)cc1 ZINC000409098386 1072331751 /nfs/dbraw/zinc/33/17/51/1072331751.db2.gz LFBKCAWIELUCES-FSJBWODESA-N 0 0 572.456 6.069 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409106742 1072341970 /nfs/dbraw/zinc/34/19/70/1072341970.db2.gz OSIDEYJHSBMYIH-SDCZFJSOSA-N 0 0 569.477 6.033 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OC ZINC000409097457 1072336429 /nfs/dbraw/zinc/33/64/29/1072336429.db2.gz NGDBJEULFQLQOO-LPYMAVHISA-N 0 0 634.492 6.496 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409335114 1072342137 /nfs/dbraw/zinc/34/21/37/1072342137.db2.gz YVSNRCNROQJLAI-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409335611 1072337232 /nfs/dbraw/zinc/33/72/32/1072337232.db2.gz XTLRYFIPCNUQLF-ZVHZXABRSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OCC)cc4)C3=O)c2C)cc1 ZINC000409097308 1072337483 /nfs/dbraw/zinc/33/74/83/1072337483.db2.gz IDKCLMRKCVHKMU-PCLIKHOPSA-N 0 0 547.633 5.345 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1Cl ZINC000409335687 1072337619 /nfs/dbraw/zinc/33/76/19/1072337619.db2.gz YNCSOSNFSDDLHM-KSEXSDGBSA-N 0 0 607.087 5.747 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409335394 1072339909 /nfs/dbraw/zinc/33/99/09/1072339909.db2.gz ZNSGIYSMQVRWDA-WSDLNYQXSA-N 0 0 612.464 7.991 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107056 1072340664 /nfs/dbraw/zinc/34/06/64/1072340664.db2.gz PXZXGTIWETYURZ-IQPMGOHCSA-N 0 0 676.839 5.768 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409334939 1072342594 /nfs/dbraw/zinc/34/25/94/1072342594.db2.gz YCGGYQFQTJERRU-OYKKKHCWSA-N 0 0 572.521 7.589 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335267 1072341169 /nfs/dbraw/zinc/34/11/69/1072341169.db2.gz ZXOTYTCXUAZNTK-UUYOSTAYSA-N 0 0 616.471 6.649 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S)c1ccccc1 ZINC000409334987 1072341237 /nfs/dbraw/zinc/34/12/37/1072341237.db2.gz YLILKXVQTFSLJJ-PCLIKHOPSA-N 0 0 531.058 6.618 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409106442 1072343957 /nfs/dbraw/zinc/34/39/57/1072343957.db2.gz NFRXRDCKSCLHOE-STBIYBPSSA-N 0 0 613.512 6.275 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409334289 1072346679 /nfs/dbraw/zinc/34/66/79/1072346679.db2.gz WSAAEFHSVCOFFA-ROTLSHHCSA-N 0 0 611.538 8.843 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409334305 1072346806 /nfs/dbraw/zinc/34/68/06/1072346806.db2.gz WXUWLQPZNYNOQB-ZBKNUEDVSA-N 0 0 698.207 9.522 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1C ZINC000409334334 1072347116 /nfs/dbraw/zinc/34/71/16/1072347116.db2.gz WXVSVMBVRAXKDZ-WSDLNYQXSA-N 0 0 607.364 7.952 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1Cl ZINC000409334119 1072347627 /nfs/dbraw/zinc/34/76/27/1072347627.db2.gz UBTZHEAMXBMLQI-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409334226 1072348473 /nfs/dbraw/zinc/34/84/73/1072348473.db2.gz WFMVPRICTSVOGD-JFLMPSFJSA-N 0 0 641.008 8.648 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409105583 1072349432 /nfs/dbraw/zinc/34/94/32/1072349432.db2.gz NIJRBSMVXBCQLQ-ITNPZBTBSA-N 0 0 619.187 5.182 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409332867 1072357636 /nfs/dbraw/zinc/35/76/36/1072357636.db2.gz RYFJILFRZCSGSZ-CIAFOILYSA-N 0 0 668.816 6.999 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409333541 1072352068 /nfs/dbraw/zinc/35/20/68/1072352068.db2.gz UKAJWHGBWUNCHG-VULFUBBASA-N 0 0 608.767 6.586 40 10 KKCBRN CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)ccc21 ZINC000409104907 1072352134 /nfs/dbraw/zinc/35/21/34/1072352134.db2.gz KXPXSWOZGUELMK-OGLMXYFKSA-N 0 0 551.668 7.612 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)SC2=S)cc1Cl ZINC000409333250 1072354159 /nfs/dbraw/zinc/35/41/59/1072354159.db2.gz RMLUWEOHRGIZDQ-CFRMEGHHSA-N 0 0 512.052 6.650 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1F ZINC000409333287 1072354709 /nfs/dbraw/zinc/35/47/09/1072354709.db2.gz RRLRIPXNCXKDPL-CIAFOILYSA-N 0 0 545.411 6.481 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1C ZINC000409332919 1072358133 /nfs/dbraw/zinc/35/81/33/1072358133.db2.gz SUNLEPBTVJBRGH-QRVIBDJDSA-N 0 0 528.468 7.190 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104248 1072355891 /nfs/dbraw/zinc/35/58/91/1072355891.db2.gz GUWSMVHFMQQTAS-VWUPUJNNSA-N 0 0 744.699 6.586 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)SC2=S)c1 ZINC000409104222 1072355992 /nfs/dbraw/zinc/35/59/92/1072355992.db2.gz GQBLWZCDPKILRH-LFVJCYFKSA-N 0 0 548.621 5.992 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409332816 1072357283 /nfs/dbraw/zinc/35/72/83/1072357283.db2.gz RKJXZZCVVSFMOD-OEAKJJBVSA-N 0 0 587.504 6.901 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1Cl ZINC000409332727 1072359024 /nfs/dbraw/zinc/35/90/24/1072359024.db2.gz RGLYAOUOPJUUGR-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000409332771 1072359334 /nfs/dbraw/zinc/35/93/34/1072359334.db2.gz RBFOGIWDGOFVQH-MFKUBSTISA-N 0 0 560.524 7.776 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409103648 1072359574 /nfs/dbraw/zinc/35/95/74/1072359574.db2.gz DSTMCIAJACGDDP-AHNSQEAUSA-N 0 0 587.189 5.781 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1 ZINC000409332608 1072360255 /nfs/dbraw/zinc/36/02/55/1072360255.db2.gz QPHKTQPHLALVLX-WSDLNYQXSA-N 0 0 573.921 6.834 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409332401 1072360612 /nfs/dbraw/zinc/36/06/12/1072360612.db2.gz RFSPDWHCKSHFEF-LZYBPNLTSA-N 0 0 502.828 5.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409332447 1072361118 /nfs/dbraw/zinc/36/11/18/1072361118.db2.gz QRHXOUWQGYXEPJ-VEILYXNESA-N 0 0 511.668 7.532 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409332059 1072365997 /nfs/dbraw/zinc/36/59/97/1072365997.db2.gz PGQYHRDSQVFUEE-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409330917 1072372825 /nfs/dbraw/zinc/37/28/25/1072372825.db2.gz NMGHLGOTHQNNRP-ZBKNUEDVSA-N 0 0 650.281 8.881 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409331831 1072366614 /nfs/dbraw/zinc/36/66/14/1072366614.db2.gz OIVWLQVLZNBGOP-MFOYZWKCSA-N 0 0 533.296 6.959 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409331874 1072366995 /nfs/dbraw/zinc/36/69/95/1072366995.db2.gz PDBSYZBUVIFQFC-PDGQHHTCSA-N 0 0 602.903 5.678 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409331680 1072367462 /nfs/dbraw/zinc/36/74/62/1072367462.db2.gz OINDJLGHJTVNPK-YSURURNPSA-N 0 0 559.927 8.064 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409331705 1072367757 /nfs/dbraw/zinc/36/77/57/1072367757.db2.gz PBGMCPICNUCJJY-YDZHTSKRSA-N 0 0 605.494 7.041 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409331619 1072369232 /nfs/dbraw/zinc/36/92/32/1072369232.db2.gz NYOCPMGTAATRSK-HAHDFKILSA-N 0 0 540.504 7.141 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409331462 1072370412 /nfs/dbraw/zinc/37/04/12/1072370412.db2.gz OAWPPMGJAWNAPQ-MFOYZWKCSA-N 0 0 589.860 5.301 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409331237 1072370751 /nfs/dbraw/zinc/37/07/51/1072370751.db2.gz MWUWUWWANJGMGE-OEAKJJBVSA-N 0 0 590.948 7.495 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409330633 1072375079 /nfs/dbraw/zinc/37/50/79/1072375079.db2.gz LEFPUERZAAKXGT-WGOQTCKBSA-N 0 0 520.745 7.240 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(C)c1 ZINC000409330627 1072375094 /nfs/dbraw/zinc/37/50/94/1072375094.db2.gz LDKDMXVYNKEVEI-YDZHTSKRSA-N 0 0 528.468 7.190 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330689 1072375362 /nfs/dbraw/zinc/37/53/62/1072375362.db2.gz MCAVZVOKIBQUQQ-DHRITJCHSA-N 0 0 587.550 7.549 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409330719 1072375396 /nfs/dbraw/zinc/37/53/96/1072375396.db2.gz LMRDARPBBYMOOZ-YZSQISJMSA-N 0 0 526.639 6.272 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409329979 1072381420 /nfs/dbraw/zinc/38/14/20/1072381420.db2.gz IOCWVBAABLKBDA-JJFYIABZSA-N 0 0 547.441 6.895 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409330363 1072377126 /nfs/dbraw/zinc/37/71/26/1072377126.db2.gz LKZJBFWPRLSZHT-CVKSISIWSA-N 0 0 571.636 6.180 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409330386 1072377606 /nfs/dbraw/zinc/37/76/06/1072377606.db2.gz LRNZAKYZYJSVMF-WSDLNYQXSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1 ZINC000409330387 1072377646 /nfs/dbraw/zinc/37/76/46/1072377646.db2.gz LTKIYELXIRAXNT-HAHDFKILSA-N 0 0 526.477 6.833 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)cc2)cc1C ZINC000409330261 1072379032 /nfs/dbraw/zinc/37/90/32/1072379032.db2.gz KLHIUVNPIMTWDL-ZVHZXABRSA-N 0 0 567.530 6.798 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409330065 1072379437 /nfs/dbraw/zinc/37/94/37/1072379437.db2.gz JIMSHGZHBJMOJT-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000409330306 1072379447 /nfs/dbraw/zinc/37/94/47/1072379447.db2.gz KYQYCRFGVJJDIS-LPYMAVHISA-N 0 0 589.920 6.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409330088 1072379915 /nfs/dbraw/zinc/37/99/15/1072379915.db2.gz JMPODPAVMGIXDD-XYGWBWBKSA-N 0 0 508.640 6.275 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409330017 1072382035 /nfs/dbraw/zinc/38/20/35/1072382035.db2.gz IZHXIZXAQNDDKY-VULFUBBASA-N 0 0 682.553 5.896 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409329770 1072382056 /nfs/dbraw/zinc/38/20/56/1072382056.db2.gz IEEANHCWXKFQIF-FYJGNVAPSA-N 0 0 506.462 6.701 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)c1 ZINC000409329735 1072382069 /nfs/dbraw/zinc/38/20/69/1072382069.db2.gz HNNHTRGRCINEOR-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329763 1072382076 /nfs/dbraw/zinc/38/20/76/1072382076.db2.gz ICSNYHUFZJQJOD-KSEXSDGBSA-N 0 0 529.901 8.056 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409330147 1072380472 /nfs/dbraw/zinc/38/04/72/1072380472.db2.gz JNWSJLWWTIPMPS-FMCGGJTJSA-N 0 0 588.710 5.807 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)cc1 ZINC000409329866 1072383024 /nfs/dbraw/zinc/38/30/24/1072383024.db2.gz HYYNJSQUHCIHEX-YZSQISJMSA-N 0 0 526.639 5.974 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1Cl ZINC000409329787 1072382512 /nfs/dbraw/zinc/38/25/12/1072382512.db2.gz IHAXVVVSDSLFOX-BUVRLJJBSA-N 0 0 512.052 6.732 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409329834 1072383104 /nfs/dbraw/zinc/38/31/04/1072383104.db2.gz HGPVQCKQRNSBJY-YVLHZVERSA-N 0 0 545.851 5.753 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329623 1072383425 /nfs/dbraw/zinc/38/34/25/1072383425.db2.gz GMIJRAGAKNMHMU-ODCIPOBUSA-N 0 0 664.655 9.157 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OCC)cc4)C3=O)o2)cc1 ZINC000409329691 1072383848 /nfs/dbraw/zinc/38/38/48/1072383848.db2.gz HADMVSQQNCIPLN-JJIBRWJFSA-N 0 0 507.633 6.708 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409329477 1072384440 /nfs/dbraw/zinc/38/44/40/1072384440.db2.gz GIGMJYKQEAONJV-CIAFOILYSA-N 0 0 609.792 8.158 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329516 1072384933 /nfs/dbraw/zinc/38/49/33/1072384933.db2.gz DYKPODKAPICBID-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C ZINC000409329325 1072385236 /nfs/dbraw/zinc/38/52/36/1072385236.db2.gz DSONXKTZIDYAED-QRVIBDJDSA-N 0 0 598.500 6.397 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409329375 1072385679 /nfs/dbraw/zinc/38/56/79/1072385679.db2.gz FMJKJADEUSSTCD-XKZIYDEJSA-N 0 0 542.616 5.085 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000409329376 1072385757 /nfs/dbraw/zinc/38/57/57/1072385757.db2.gz FBVUWFQVJZSSIR-YBFXNURJSA-N 0 0 533.414 5.586 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409329395 1072385776 /nfs/dbraw/zinc/38/57/76/1072385776.db2.gz FORXKSFKHUUTSI-YDZHTSKRSA-N 0 0 500.016 6.781 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409329383 1072385804 /nfs/dbraw/zinc/38/58/04/1072385804.db2.gz FDOPVNVRHFMGRL-SXGWCWSVSA-N 0 0 607.276 6.009 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409329364 1072385839 /nfs/dbraw/zinc/38/58/39/1072385839.db2.gz FBCBLDXZCITEAA-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409329198 1072386696 /nfs/dbraw/zinc/38/66/96/1072386696.db2.gz BYFBFQGMROUPMG-KGENOOAVSA-N 0 0 561.466 6.648 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409329010 1072387183 /nfs/dbraw/zinc/38/71/83/1072387183.db2.gz CAKIXPRCMLFVHH-JJFYIABZSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409329021 1072387547 /nfs/dbraw/zinc/38/75/47/1072387547.db2.gz CGKCSBAJXWAHLC-MZJWZYIUSA-N 0 0 503.733 7.576 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409329123 1072388054 /nfs/dbraw/zinc/38/80/54/1072388054.db2.gz CVZJGHFPGMFJBL-IWIPYMOSSA-N 0 0 518.063 6.198 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409328927 1072388890 /nfs/dbraw/zinc/38/88/90/1072388890.db2.gz AODORJZVGLQEOG-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409328716 1072389393 /nfs/dbraw/zinc/38/93/93/1072389393.db2.gz AASZANVFJOQOSB-NHDPSOOVSA-N 0 0 554.518 5.618 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328735 1072389910 /nfs/dbraw/zinc/38/99/10/1072389910.db2.gz AMFBMPLMRYGEQD-MTJSOVHGSA-N 0 0 611.885 7.077 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccccc1F ZINC000409328763 1072389919 /nfs/dbraw/zinc/38/99/19/1072389919.db2.gz AVICNYUZCLGDEK-MTJSOVHGSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409328841 1072390468 /nfs/dbraw/zinc/39/04/68/1072390468.db2.gz BLXQVCAKGJBBHP-FYJGNVAPSA-N 0 0 558.475 5.959 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409328649 1072391337 /nfs/dbraw/zinc/39/13/37/1072391337.db2.gz ZKEZUDAGSKYFHJ-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409328456 1072392256 /nfs/dbraw/zinc/39/22/56/1072392256.db2.gz VRPHGOXZENNLEO-MXAYSNPKSA-N 0 0 523.054 7.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409328485 1072392345 /nfs/dbraw/zinc/39/23/45/1072392345.db2.gz WDMWHFBRUWQDHX-QRQIAZFYSA-N 0 0 560.741 7.249 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409328526 1072392717 /nfs/dbraw/zinc/39/27/17/1072392717.db2.gz WZVLTKURJQXXLI-LPYMAVHISA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328532 1072392722 /nfs/dbraw/zinc/39/27/22/1072392722.db2.gz XDLFCLLEYZKJGL-UUYOSTAYSA-N 0 0 652.919 7.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328513 1072392728 /nfs/dbraw/zinc/39/27/28/1072392728.db2.gz WUNRVJFBRDICTB-XKZIYDEJSA-N 0 0 578.912 7.625 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409328552 1072393241 /nfs/dbraw/zinc/39/32/41/1072393241.db2.gz XLKZIFMUNOHTHW-VROXFSQNSA-N 0 0 543.472 7.550 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409328291 1072393250 /nfs/dbraw/zinc/39/32/50/1072393250.db2.gz RKYMGEWHEIUWQM-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328305 1072393253 /nfs/dbraw/zinc/39/32/53/1072393253.db2.gz RSUTYBSENIVZJR-QQXSKIMKSA-N 0 0 528.611 6.741 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409328274 1072393301 /nfs/dbraw/zinc/39/33/01/1072393301.db2.gz RCEIIUOAJJUTJZ-WGARJPEWSA-N 0 0 611.583 7.115 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409328396 1072394085 /nfs/dbraw/zinc/39/40/85/1072394085.db2.gz UIVZLIALLUQBKH-CFRMEGHHSA-N 0 0 552.508 6.851 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1 ZINC000409327969 1072397934 /nfs/dbraw/zinc/39/79/34/1072397934.db2.gz OLPGTQBCKXJECZ-RGVLZGJSSA-N 0 0 558.391 6.464 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409327802 1072398765 /nfs/dbraw/zinc/39/87/65/1072398765.db2.gz NETRZFCUVCKAMW-LICLKQGHSA-N 0 0 542.860 5.459 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409327409 1072400820 /nfs/dbraw/zinc/40/08/20/1072400820.db2.gz JPVVSUCNLFZZOQ-IUXPMGMMSA-N 0 0 547.279 6.104 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409327527 1072401900 /nfs/dbraw/zinc/40/19/00/1072401900.db2.gz KPBAOKSCUAOOGO-BOPFTXTBSA-N 0 0 511.850 5.438 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346970 1072410144 /nfs/dbraw/zinc/41/01/44/1072410144.db2.gz OXOKJXBHZGBXRK-WYMPLXKRSA-N 0 0 536.587 5.707 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409347018 1072410700 /nfs/dbraw/zinc/41/07/00/1072410700.db2.gz PIIOOALPLGTSJA-AUWJEWJLSA-N 0 0 503.212 5.765 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c1 ZINC000409107922 1072411691 /nfs/dbraw/zinc/41/16/91/1072411691.db2.gz YDTRNETWDVDURI-OVVQPSECSA-N 0 0 540.641 7.063 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409346849 1072411788 /nfs/dbraw/zinc/41/17/88/1072411788.db2.gz OJIGJQXCTCKQIX-ZMOGYAJESA-N 0 0 546.497 7.386 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409346675 1072413015 /nfs/dbraw/zinc/41/30/15/1072413015.db2.gz NLYDYNCVAHVQIL-NDENLUEZSA-N 0 0 511.606 5.918 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000409346626 1072415088 /nfs/dbraw/zinc/41/50/88/1072415088.db2.gz NURRMBSTQANSIT-WGOQTCKBSA-N 0 0 592.536 7.604 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409346458 1072415460 /nfs/dbraw/zinc/41/54/60/1072415460.db2.gz KSBMCNBIIPTGDA-FBHDLOMBSA-N 0 0 615.785 8.403 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)SC2=S)c(C)c1 ZINC000409346402 1072415499 /nfs/dbraw/zinc/41/54/99/1072415499.db2.gz KHTNKJPMMBEOFG-YDZHTSKRSA-N 0 0 528.468 7.190 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409123252 1072417431 /nfs/dbraw/zinc/41/74/31/1072417431.db2.gz BCUXEKDVCBATTM-MYYYXRDXSA-N 0 0 547.683 7.148 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409123041 1072418000 /nfs/dbraw/zinc/41/80/00/1072418000.db2.gz DITDGBNIVQNPHP-UORZEKGLSA-N 0 0 562.555 5.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000409346173 1072418018 /nfs/dbraw/zinc/41/80/18/1072418018.db2.gz NLUWZVCDEJWSHL-CHHVJCJISA-N 0 0 505.242 6.266 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409346202 1072418599 /nfs/dbraw/zinc/41/85/99/1072418599.db2.gz NNBMGRIYCCWFKV-RMORIDSASA-N 0 0 585.361 8.684 40 10 KKCBRN O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409345982 1072419094 /nfs/dbraw/zinc/41/90/94/1072419094.db2.gz MBFOAGRNXSJFDL-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409345823 1072420089 /nfs/dbraw/zinc/42/00/89/1072420089.db2.gz MHQXUOOJDPVSTA-UKWGHVSLSA-N 0 0 664.655 9.157 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409345814 1072420125 /nfs/dbraw/zinc/42/01/25/1072420125.db2.gz JZVROPDOCRHLJE-JLPGSUDCSA-N 0 0 519.648 5.185 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409345863 1072420760 /nfs/dbraw/zinc/42/07/60/1072420760.db2.gz LQFLLODFPAQSFH-WSDLNYQXSA-N 0 0 563.459 6.266 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000409345789 1072422616 /nfs/dbraw/zinc/42/26/16/1072422616.db2.gz JXKUTLQPFCEGRT-BUVRLJJBSA-N 0 0 651.975 7.727 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)c(OCC)c3)SC2=S)cc1 ZINC000409345530 1072422717 /nfs/dbraw/zinc/42/27/17/1072422717.db2.gz JDUYFCXQTOXCLJ-VUTHCHCSSA-N 0 0 541.694 7.622 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409345620 1072423677 /nfs/dbraw/zinc/42/36/77/1072423677.db2.gz JSKYXHVUDUBDSC-NVMNQCDNSA-N 0 0 556.246 7.330 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409345099 1072426954 /nfs/dbraw/zinc/42/69/54/1072426954.db2.gz JVDQZQRVRXTHDT-YDZHTSKRSA-N 0 0 576.574 7.219 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc(F)c1 ZINC000409345205 1072427493 /nfs/dbraw/zinc/42/74/93/1072427493.db2.gz KKKPSSRAOSCXCY-JAIQZWGSSA-N 0 0 511.962 6.760 40 10 KKCBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2CC)cc1 ZINC000409345200 1072427509 /nfs/dbraw/zinc/42/75/09/1072427509.db2.gz KUSJBXWNWNMHCR-QVIHXGFCSA-N 0 0 500.628 6.586 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409345039 1072428464 /nfs/dbraw/zinc/42/84/64/1072428464.db2.gz JUUQCNWXNWQDPN-MFOYZWKCSA-N 0 0 529.275 6.025 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc(F)c1 ZINC000409344813 1072429009 /nfs/dbraw/zinc/42/90/09/1072429009.db2.gz HIJJJHKUBBSHQJ-JAIQZWGSSA-N 0 0 673.310 7.020 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)c3ccccc32)cc1 ZINC000409344684 1072430597 /nfs/dbraw/zinc/43/05/97/1072430597.db2.gz GKAUJMKOUSNDAK-WKIKZPBSSA-N 0 0 541.742 6.447 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409344481 1072431115 /nfs/dbraw/zinc/43/11/15/1072431115.db2.gz JKTVRQORDFOKLC-HYARGMPZSA-N 0 0 550.515 7.100 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409344578 1072431789 /nfs/dbraw/zinc/43/17/89/1072431789.db2.gz HEKXDLVVUXKJOD-SSDVNMTOSA-N 0 0 594.911 7.244 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409344375 1072432345 /nfs/dbraw/zinc/43/23/45/1072432345.db2.gz JACXSQSMRHFICU-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409344392 1072432910 /nfs/dbraw/zinc/43/29/10/1072432910.db2.gz JHOFUKIODZCCTM-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409344468 1072433452 /nfs/dbraw/zinc/43/34/52/1072433452.db2.gz JKJLUACCIOYVPJ-WOJGMQOQSA-N 0 0 508.930 6.165 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000409343698 1072439159 /nfs/dbraw/zinc/43/91/59/1072439159.db2.gz FYQUHLUDVGNPPE-WQRHYEAKSA-N 0 0 519.385 5.564 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000409343467 1072439567 /nfs/dbraw/zinc/43/95/67/1072439567.db2.gz GXNSEMHVWSABNF-PXLXIMEGSA-N 0 0 542.476 7.072 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409343494 1072440052 /nfs/dbraw/zinc/44/00/52/1072440052.db2.gz HBXDARTWWWNILX-CVKSISIWSA-N 0 0 627.582 6.897 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409343593 1072440768 /nfs/dbraw/zinc/44/07/68/1072440768.db2.gz DZZMODQDOLPQKY-OYKKKHCWSA-N 0 0 540.504 7.059 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409343559 1072440802 /nfs/dbraw/zinc/44/08/02/1072440802.db2.gz HRMMPCAHVUXJJK-ZMOGYAJESA-N 0 0 601.975 7.649 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409343557 1072440843 /nfs/dbraw/zinc/44/08/43/1072440843.db2.gz DWJOQOCCCRZNBT-MFKUBSTISA-N 0 0 520.632 6.595 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409343448 1072442445 /nfs/dbraw/zinc/44/24/45/1072442445.db2.gz GWHFKNQOKAOTGO-WSDLNYQXSA-N 0 0 545.469 6.425 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1Cl ZINC000409342939 1072445328 /nfs/dbraw/zinc/44/53/28/1072445328.db2.gz FZTVAVDAQLEUOL-WYMPLXKRSA-N 0 0 617.974 7.151 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409342964 1072445398 /nfs/dbraw/zinc/44/53/98/1072445398.db2.gz FNWYBDQYHPZWSL-LICLKQGHSA-N 0 0 529.396 5.634 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1 ZINC000409342821 1072446570 /nfs/dbraw/zinc/44/65/70/1072446570.db2.gz CQRAPXKGGZXOHO-UKWGHVSLSA-N 0 0 599.381 7.713 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1Br ZINC000409342858 1072447023 /nfs/dbraw/zinc/44/70/23/1072447023.db2.gz FQBQZZNSESSTNE-WQRHYEAKSA-N 0 0 525.877 5.746 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409342644 1072447592 /nfs/dbraw/zinc/44/75/92/1072447592.db2.gz DTGLGKCIADGBOE-WOJGMQOQSA-N 0 0 511.406 5.100 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000409342303 1072449072 /nfs/dbraw/zinc/44/90/72/1072449072.db2.gz BJIJPDXMZSOBHM-SRZZPIQSSA-N 0 0 561.866 6.996 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409126821 1072449198 /nfs/dbraw/zinc/44/91/98/1072449198.db2.gz HVGPLVOZDGFKQX-ITYLOYPMSA-N 0 0 531.747 5.906 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342092 1072451904 /nfs/dbraw/zinc/45/19/04/1072451904.db2.gz BVDHLSHKPIMYBA-FBHDLOMBSA-N 0 0 550.511 6.959 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409342078 1072451944 /nfs/dbraw/zinc/45/19/44/1072451944.db2.gz BTFBYTXZMNSSMR-FOKLQQMPSA-N 0 0 604.931 7.215 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409342079 1072452066 /nfs/dbraw/zinc/45/20/66/1072452066.db2.gz BITCCVYMGDILQT-MFKUBSTISA-N 0 0 505.064 7.148 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409341886 1072453405 /nfs/dbraw/zinc/45/34/05/1072453405.db2.gz AKMAZIXVWKJBQU-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1C ZINC000409341896 1072453832 /nfs/dbraw/zinc/45/38/32/1072453832.db2.gz CFQPTCHCFKZXGX-MXAYSNPKSA-N 0 0 523.510 8.019 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409341932 1072453844 /nfs/dbraw/zinc/45/38/44/1072453844.db2.gz AOCISTJDMJMBAG-XKZIYDEJSA-N 0 0 521.576 5.027 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000409341838 1072455519 /nfs/dbraw/zinc/45/55/19/1072455519.db2.gz AFUBSBCXFSJJAY-FSJBWODESA-N 0 0 532.470 6.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409341234 1072460950 /nfs/dbraw/zinc/46/09/50/1072460950.db2.gz AKZFXUJHODBMMJ-MXAYSNPKSA-N 0 0 548.642 5.546 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409341262 1072461548 /nfs/dbraw/zinc/46/15/48/1072461548.db2.gz ARNPETJXOKNXJD-WGARJPEWSA-N 0 0 607.507 7.504 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409340403 1072465735 /nfs/dbraw/zinc/46/57/35/1072465735.db2.gz WNORRQOOCZJCGS-PCLIKHOPSA-N 0 0 550.658 5.526 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409340394 1072465838 /nfs/dbraw/zinc/46/58/38/1072465838.db2.gz WLEQDDZTCJSXST-FBHDLOMBSA-N 0 0 625.931 6.493 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409340445 1072466376 /nfs/dbraw/zinc/46/63/76/1072466376.db2.gz XKFRBENYJOIUON-UUYOSTAYSA-N 0 0 564.538 7.350 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC ZINC000409340431 1072466433 /nfs/dbraw/zinc/46/64/33/1072466433.db2.gz XBNGCFBXWAASLU-BOPFTXTBSA-N 0 0 545.851 6.148 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)SC1=S ZINC000409340508 1072466902 /nfs/dbraw/zinc/46/69/02/1072466902.db2.gz YHAYYDUOPUZUJY-XDHOZWIPSA-N 0 0 510.450 6.177 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409340516 1072466934 /nfs/dbraw/zinc/46/69/34/1072466934.db2.gz YKEBSYFRNYNDTL-SXGWCWSVSA-N 0 0 518.376 6.281 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409340286 1072467382 /nfs/dbraw/zinc/46/73/82/1072467382.db2.gz UBBFVVBKJYTCGF-NHDPSOOVSA-N 0 0 659.343 8.224 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409124029 1072468051 /nfs/dbraw/zinc/46/80/51/1072468051.db2.gz ITEZRLRNEXYZRX-MYYYXRDXSA-N 0 0 537.041 6.887 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409340132 1072468509 /nfs/dbraw/zinc/46/85/09/1072468509.db2.gz QXUXWAJCQQUASJ-SXGWCWSVSA-N 0 0 565.376 6.123 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409340371 1072468631 /nfs/dbraw/zinc/46/86/31/1072468631.db2.gz VWLPJOCFAAXQJV-ZVHZXABRSA-N 0 0 506.605 6.287 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409124070 1072468732 /nfs/dbraw/zinc/46/87/32/1072468732.db2.gz GRARJUZIAFPZRX-IMRQLAEWSA-N 0 0 546.649 5.508 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409340167 1072468905 /nfs/dbraw/zinc/46/89/05/1072468905.db2.gz RMEXVLIJJHHSHG-BKUYFWCQSA-N 0 0 522.917 7.215 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409340186 1072468939 /nfs/dbraw/zinc/46/89/39/1072468939.db2.gz RXGJUZRBFLYQBS-IUXPMGMMSA-N 0 0 624.305 5.954 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409340012 1072470133 /nfs/dbraw/zinc/47/01/33/1072470133.db2.gz OMNTYBOFAGXUEO-STZFKDTASA-N 0 0 542.616 5.085 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409340030 1072470163 /nfs/dbraw/zinc/47/01/63/1072470163.db2.gz OZOPYMSTHGMPDO-LPYMAVHISA-N 0 0 650.370 7.503 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1F ZINC000409340063 1072470680 /nfs/dbraw/zinc/47/06/80/1072470680.db2.gz PVLPAQYBOBWCDP-LSHDLFTRSA-N 0 0 621.449 6.152 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)c1 ZINC000409339824 1072471315 /nfs/dbraw/zinc/47/13/15/1072471315.db2.gz ZCRJBUSWBDAKDR-MFKUBSTISA-N 0 0 534.728 6.955 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409339938 1072472326 /nfs/dbraw/zinc/47/23/26/1072472326.db2.gz NAAKDSPZPULGFX-UCQKPKSFSA-N 0 0 558.494 7.280 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409339911 1072472392 /nfs/dbraw/zinc/47/23/92/1072472392.db2.gz MRWOSQBAYXXLEI-ODLFYWEKSA-N 0 0 506.443 5.414 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409339735 1072472831 /nfs/dbraw/zinc/47/28/31/1072472831.db2.gz LLRAZQPZYLZKRV-UCQKPKSFSA-N 0 0 530.498 7.373 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409339691 1072473051 /nfs/dbraw/zinc/47/30/51/1072473051.db2.gz KPISXWBFPWGFMB-LQKURTRISA-N 0 0 562.112 7.885 40 10 KKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000409339774 1072473582 /nfs/dbraw/zinc/47/35/82/1072473582.db2.gz YEKKZSLSUVKRAW-CAOOACKPSA-N 0 0 503.270 6.949 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409339748 1072473661 /nfs/dbraw/zinc/47/36/61/1072473661.db2.gz XRCSFKQKOSMMIY-AFUMVMLFSA-N 0 0 523.054 7.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409339528 1072474114 /nfs/dbraw/zinc/47/41/14/1072474114.db2.gz JPAYBIZHKXSEMP-MTJSOVHGSA-N 0 0 564.885 7.235 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409339529 1072474164 /nfs/dbraw/zinc/47/41/64/1072474164.db2.gz JQEMIZRXGMMTEN-STZFKDTASA-N 0 0 509.565 5.595 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409339792 1072474179 /nfs/dbraw/zinc/47/41/79/1072474179.db2.gz YMLKWEKVHPYGBY-WSDLNYQXSA-N 0 0 625.444 7.973 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409339798 1072474192 /nfs/dbraw/zinc/47/41/92/1072474192.db2.gz YNRDTSRZJPNSSR-MSXFZWOLSA-N 0 0 628.526 6.406 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409339618 1072474676 /nfs/dbraw/zinc/47/46/76/1072474676.db2.gz XEJZWWJEZJTFJV-CIAFOILYSA-N 0 0 500.439 6.415 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409339385 1072475334 /nfs/dbraw/zinc/47/53/34/1072475334.db2.gz UTTRATQEHVOFFR-MFOYZWKCSA-N 0 0 624.747 6.910 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339400 1072475394 /nfs/dbraw/zinc/47/53/94/1072475394.db2.gz UZIAYUHQFQMFBF-ZMOGYAJESA-N 0 0 600.516 6.417 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409136750 1072475820 /nfs/dbraw/zinc/47/58/20/1072475820.db2.gz ZFMSKQNERCDAFT-TWKHWXDSSA-N 0 0 557.115 7.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409339286 1072477125 /nfs/dbraw/zinc/47/71/25/1072477125.db2.gz GWGLRQRSZPYUFV-VULFUBBASA-N 0 0 736.878 9.244 40 10 KKCBRN O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409339226 1072477139 /nfs/dbraw/zinc/47/71/39/1072477139.db2.gz FVKAABFISPPLNY-JCMHNJIXSA-N 0 0 501.551 6.569 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000409339359 1072478176 /nfs/dbraw/zinc/47/81/76/1072478176.db2.gz HVPKVQSHERKEJQ-LFVJCYFKSA-N 0 0 520.632 5.219 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409339175 1072478711 /nfs/dbraw/zinc/47/87/11/1072478711.db2.gz FLFPSRPMARNJMB-FMCGGJTJSA-N 0 0 516.471 7.295 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409339208 1072479138 /nfs/dbraw/zinc/47/91/38/1072479138.db2.gz FQMFVCQDBKYXBN-WPWMEQJKSA-N 0 0 649.588 7.135 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338929 1072479145 /nfs/dbraw/zinc/47/91/45/1072479145.db2.gz QWDYKSKYXRNBEJ-WSDLNYQXSA-N 0 0 602.444 6.862 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409339216 1072479152 /nfs/dbraw/zinc/47/91/52/1072479152.db2.gz SWBHRTBUXFMRBW-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409338959 1072479814 /nfs/dbraw/zinc/47/98/14/1072479814.db2.gz CMFFGXPJTBCAIN-MYYYXRDXSA-N 0 0 506.023 7.617 40 10 KKCBRN Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409136249 1072480281 /nfs/dbraw/zinc/48/02/81/1072480281.db2.gz YBIDGGWFLXZJGI-RRAHZORUSA-N 0 0 512.700 6.863 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S ZINC000409339050 1072480328 /nfs/dbraw/zinc/48/03/28/1072480328.db2.gz DPDAXUNAUZDHMQ-PCLIKHOPSA-N 0 0 518.660 6.242 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(OCC)c2)SC1=S ZINC000409338916 1072481825 /nfs/dbraw/zinc/48/18/25/1072481825.db2.gz QRKQFTZXDJRJHL-HAHDFKILSA-N 0 0 589.520 7.033 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409338697 1072482485 /nfs/dbraw/zinc/48/24/85/1072482485.db2.gz ONLFNYSOANRNCV-XYGWBWBKSA-N 0 0 549.674 5.193 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409338525 1072483683 /nfs/dbraw/zinc/48/36/83/1072483683.db2.gz LLOGGCJWYZZWGG-PDGQHHTCSA-N 0 0 541.432 5.503 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409338515 1072483685 /nfs/dbraw/zinc/48/36/85/1072483685.db2.gz LFDDWAXSESDEIC-BKUYFWCQSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409338534 1072484080 /nfs/dbraw/zinc/48/40/80/1072484080.db2.gz LOIGRQBEJVZVEH-OEAKJJBVSA-N 0 0 541.050 5.482 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000409338369 1072484792 /nfs/dbraw/zinc/48/47/92/1072484792.db2.gz ISVLHULJQXCUJH-OQLLNIDSSA-N 0 0 593.249 5.700 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338634 1072484822 /nfs/dbraw/zinc/48/48/22/1072484822.db2.gz NHMCMARMDROCGL-YVNNLAQVSA-N 0 0 615.438 8.517 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409338377 1072485621 /nfs/dbraw/zinc/48/56/21/1072485621.db2.gz IUKINBRWTKRMFD-OYKKKHCWSA-N 0 0 645.825 9.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409338390 1072485665 /nfs/dbraw/zinc/48/56/65/1072485665.db2.gz JDDTWKWSIIYRHE-OYKKKHCWSA-N 0 0 588.976 8.103 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338451 1072486045 /nfs/dbraw/zinc/48/60/45/1072486045.db2.gz KEWRZESEQRMHCK-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338453 1072486188 /nfs/dbraw/zinc/48/61/88/1072486188.db2.gz KFIWVVPHGOYAEL-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409338240 1072486761 /nfs/dbraw/zinc/48/67/61/1072486761.db2.gz GKNAXPVAYDYAQV-UKWGHVSLSA-N 0 0 664.655 9.157 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409338330 1072487747 /nfs/dbraw/zinc/48/77/47/1072487747.db2.gz HWJPBQKMAYZYIT-MTDXEUNCSA-N 0 0 511.668 7.532 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409338127 1072488280 /nfs/dbraw/zinc/48/82/80/1072488280.db2.gz DOBPFKOVWJRZDD-ZVHZXABRSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409337951 1072489288 /nfs/dbraw/zinc/48/92/88/1072489288.db2.gz AEPUMXWCLSPVOP-PCLIKHOPSA-N 0 0 534.659 5.826 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409337662 1072492298 /nfs/dbraw/zinc/49/22/98/1072492298.db2.gz XFDZXESYAHFGFY-CLCZQPDDSA-N 0 0 569.546 6.571 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409133913 1072496220 /nfs/dbraw/zinc/49/62/20/1072496220.db2.gz QZQBYDCJQHAWFF-IMRQLAEWSA-N 0 0 514.672 6.520 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409132682 1072502995 /nfs/dbraw/zinc/50/29/95/1072502995.db2.gz QURXEXHKKDBZPC-PAEMTNLTSA-N 0 0 531.530 6.939 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409132545 1072503725 /nfs/dbraw/zinc/50/37/25/1072503725.db2.gz QGTCJVWFOODRAO-QFEZKATASA-N 0 0 567.961 7.549 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409132039 1072506785 /nfs/dbraw/zinc/50/67/85/1072506785.db2.gz KPFJERPQFQRCJQ-QFEZKATASA-N 0 0 543.585 8.340 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409131509 1072508985 /nfs/dbraw/zinc/50/89/85/1072508985.db2.gz YCJIEHOHBPBITJ-UCQKPKSFSA-N 0 0 556.551 5.716 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409131173 1072510087 /nfs/dbraw/zinc/51/00/87/1072510087.db2.gz NLYCFSPWCOYSMR-MWAVMZGNSA-N 0 0 522.670 7.342 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409130747 1072512940 /nfs/dbraw/zinc/51/29/40/1072512940.db2.gz NCJHYQGCDMNUJC-OYKKKHCWSA-N 0 0 569.933 7.542 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409130874 1072513473 /nfs/dbraw/zinc/51/34/73/1072513473.db2.gz NWYBKKOHTYKUQR-WNFQYIGGSA-N 0 0 537.907 7.102 40 10 KKCBRN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409354415 1072514602 /nfs/dbraw/zinc/51/46/02/1072514602.db2.gz FCSHVADVYLIVRH-NVQSTNCTSA-N 0 0 513.627 5.683 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1C ZINC000409354486 1072515115 /nfs/dbraw/zinc/51/51/15/1072515115.db2.gz GINPRPSBCQMGNT-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409354511 1072515317 /nfs/dbraw/zinc/51/53/17/1072515317.db2.gz GRPNQACGMYVHCM-QPSKGULWSA-N 0 0 568.490 6.759 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409129590 1072518748 /nfs/dbraw/zinc/51/87/48/1072518748.db2.gz UNNSHWMJXUXHMT-QRVIBDJDSA-N 0 0 523.477 7.004 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)S1)c1ccccc1 ZINC000409129697 1072519062 /nfs/dbraw/zinc/51/90/62/1072519062.db2.gz LSMZUQMROKTBMJ-BKUYFWCQSA-N 0 0 538.379 5.337 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409129337 1072520509 /nfs/dbraw/zinc/52/05/09/1072520509.db2.gz GIPRADBZSRXGDY-UCQKPKSFSA-N 0 0 517.701 5.987 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC1=S ZINC000409128345 1072526632 /nfs/dbraw/zinc/52/66/32/1072526632.db2.gz FEDVGRNRLAAFBE-YVNNLAQVSA-N 0 0 561.479 5.059 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409352780 1072527009 /nfs/dbraw/zinc/52/70/09/1072527009.db2.gz YUEWZRCYXVTKOE-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(C)c1 ZINC000409352600 1072527410 /nfs/dbraw/zinc/52/74/10/1072527410.db2.gz XPOWKRMECUHLME-YVNNLAQVSA-N 0 0 658.264 9.120 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409352644 1072527848 /nfs/dbraw/zinc/52/78/48/1072527848.db2.gz YDJREDZYLUNJGF-FBHDLOMBSA-N 0 0 615.785 8.403 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)SC1=S ZINC000409352143 1072529855 /nfs/dbraw/zinc/52/98/55/1072529855.db2.gz WKMXRIRRRLJBEN-GRSHGNNSSA-N 0 0 523.430 5.556 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409127593 1072530561 /nfs/dbraw/zinc/53/05/61/1072530561.db2.gz OFTNCJFTTCNMNE-MTJSOVHGSA-N 0 0 551.915 5.984 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409144673 1072533512 /nfs/dbraw/zinc/53/35/12/1072533512.db2.gz ZPJYOLSOAFKCAY-UCQKPKSFSA-N 0 0 568.076 5.221 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409144423 1072535340 /nfs/dbraw/zinc/53/53/40/1072535340.db2.gz LCOAZIOLVLEZAU-ZVHZXABRSA-N 0 0 584.075 6.081 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409351243 1072537041 /nfs/dbraw/zinc/53/70/41/1072537041.db2.gz ZXCLDYNJCNCRKH-SSDVNMTOSA-N 0 0 721.263 8.744 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1Cl ZINC000409351117 1072538494 /nfs/dbraw/zinc/53/84/94/1072538494.db2.gz ZOGVOYANDJKBLH-LSHDLFTRSA-N 0 0 573.992 6.372 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409143590 1072539653 /nfs/dbraw/zinc/53/96/53/1072539653.db2.gz GFAUEKLZFQOANN-WSDLNYQXSA-N 0 0 638.392 7.198 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409351027 1072539821 /nfs/dbraw/zinc/53/98/21/1072539821.db2.gz VMDZMEGRXNWBQN-DHRITJCHSA-N 0 0 572.624 5.631 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409143672 1072539983 /nfs/dbraw/zinc/53/99/83/1072539983.db2.gz DFQRKMKSSNRRDV-QQXSKIMKSA-N 0 0 536.053 5.503 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409143553 1072541244 /nfs/dbraw/zinc/54/12/44/1072541244.db2.gz FTTBSCDIBMVWTN-NSKAYECMSA-N 0 0 596.605 7.445 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409350541 1072542773 /nfs/dbraw/zinc/54/27/73/1072542773.db2.gz RWUIPBRPLABEIA-UUYOSTAYSA-N 0 0 605.919 7.394 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409143086 1072543571 /nfs/dbraw/zinc/54/35/71/1072543571.db2.gz MUWPRBRBUMFWQN-IWIPYMOSSA-N 0 0 520.636 5.245 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409350451 1072543977 /nfs/dbraw/zinc/54/39/77/1072543977.db2.gz RMCAKQGOJBZRJP-IWIPYMOSSA-N 0 0 538.622 5.358 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409350295 1072544900 /nfs/dbraw/zinc/54/49/00/1072544900.db2.gz RJIJYCQHMCTATF-SRZZPIQSSA-N 0 0 561.866 6.996 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1 ZINC000409350280 1072544985 /nfs/dbraw/zinc/54/49/85/1072544985.db2.gz RIXXTFYQGZFDFA-BKUYFWCQSA-N 0 0 669.347 7.189 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409350066 1072545266 /nfs/dbraw/zinc/54/52/66/1072545266.db2.gz WZYNIBTZICZJLZ-XKZIYDEJSA-N 0 0 642.367 7.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409350308 1072545288 /nfs/dbraw/zinc/54/52/88/1072545288.db2.gz RJMSQAYGRSHGHY-KSEXSDGBSA-N 0 0 561.468 7.285 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)SC2=S)cc1 ZINC000409350070 1072545447 /nfs/dbraw/zinc/54/54/47/1072545447.db2.gz WZZSITAHELERDT-CPNJWEJPSA-N 0 0 508.459 6.051 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142562 1072546226 /nfs/dbraw/zinc/54/62/26/1072546226.db2.gz ATACEGWXMHAVDC-QFIPXVFZSA-N 0 0 534.447 6.278 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409349897 1072546299 /nfs/dbraw/zinc/54/62/99/1072546299.db2.gz REESKOCDOOPAHV-MFOYZWKCSA-N 0 0 512.834 5.450 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409349992 1072546642 /nfs/dbraw/zinc/54/66/42/1072546642.db2.gz SFYSONZUGKCTLR-DHRITJCHSA-N 0 0 572.624 5.631 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349805 1072547114 /nfs/dbraw/zinc/54/71/14/1072547114.db2.gz WFOOPSCKXGNVEF-VCHYOVAHSA-N 0 0 511.249 7.422 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409142441 1072547266 /nfs/dbraw/zinc/54/72/66/1072547266.db2.gz KLKBMHZKHNRTHV-FYJGNVAPSA-N 0 0 534.468 6.445 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409142554 1072547648 /nfs/dbraw/zinc/54/76/48/1072547648.db2.gz ASOIHXBXGGELBW-XKZIYDEJSA-N 0 0 559.496 6.436 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OC)c2)SC1=S ZINC000409349638 1072548040 /nfs/dbraw/zinc/54/80/40/1072548040.db2.gz VTZHTXXRZBKJTL-QQXSKIMKSA-N 0 0 548.686 6.251 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409349509 1072549174 /nfs/dbraw/zinc/54/91/74/1072549174.db2.gz QOBSPYZTOQADOC-WSDLNYQXSA-N 0 0 592.989 7.818 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409141979 1072549660 /nfs/dbraw/zinc/54/96/60/1072549660.db2.gz OZFHUHKNSYUEFI-ZVHZXABRSA-N 0 0 582.103 5.529 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409349565 1072549803 /nfs/dbraw/zinc/54/98/03/1072549803.db2.gz VOYCEEHNUVLRFC-YUMHPJSZSA-N 0 0 532.086 7.877 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409141715 1072551365 /nfs/dbraw/zinc/55/13/65/1072551365.db2.gz IRLSMWXSOZFVOQ-OMMIQNFISA-N 0 0 577.953 6.516 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCC(=O)OC ZINC000409349040 1072552491 /nfs/dbraw/zinc/55/24/91/1072552491.db2.gz UQCNUEOTWSLPCE-ODLFYWEKSA-N 0 0 583.469 5.264 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409349030 1072552516 /nfs/dbraw/zinc/55/25/16/1072552516.db2.gz UOORTVDEUPUAPK-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S ZINC000409348971 1072553804 /nfs/dbraw/zinc/55/38/04/1072553804.db2.gz UDAVHMCVSLGFGZ-WGOQTCKBSA-N 0 0 518.059 7.487 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409348722 1072554269 /nfs/dbraw/zinc/55/42/69/1072554269.db2.gz OTIRLVAAWGUZAA-NHDPSOOVSA-N 0 0 625.410 6.393 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409348831 1072555101 /nfs/dbraw/zinc/55/51/01/1072555101.db2.gz SSMIPWTUCYIIHR-NDENLUEZSA-N 0 0 601.813 7.978 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)c1 ZINC000409348592 1072555558 /nfs/dbraw/zinc/55/55/58/1072555558.db2.gz PBCPADXZWQBOEF-ZVHZXABRSA-N 0 0 501.608 6.133 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409348636 1072555630 /nfs/dbraw/zinc/55/56/30/1072555630.db2.gz NZEASGHCEUJQAN-JMIUGGIZSA-N 0 0 640.762 7.758 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1 ZINC000409348446 1072556140 /nfs/dbraw/zinc/55/61/40/1072556140.db2.gz SUFFBNYOWPBDRP-LPYMAVHISA-N 0 0 699.373 7.279 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c1 ZINC000409348551 1072556872 /nfs/dbraw/zinc/55/68/72/1072556872.db2.gz OODNXOKEKVBIJR-SRZZPIQSSA-N 0 0 525.589 6.423 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409348534 1072557005 /nfs/dbraw/zinc/55/70/05/1072557005.db2.gz OFUYGDXSJZFESX-OEAKJJBVSA-N 0 0 570.048 5.772 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409348306 1072557239 /nfs/dbraw/zinc/55/72/39/1072557239.db2.gz SASWOFNCMSIIIW-KEBDBYFISA-N 0 0 549.855 7.293 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409348320 1072557260 /nfs/dbraw/zinc/55/72/60/1072557260.db2.gz SDFGOHIJNGIEAR-MYYYXRDXSA-N 0 0 643.955 8.091 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)SC2=S)cc1Cl ZINC000409348293 1072557376 /nfs/dbraw/zinc/55/73/76/1072557376.db2.gz SAIVFHVDGIHGSO-PXNMLYILSA-N 0 0 517.797 5.368 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409348361 1072557709 /nfs/dbraw/zinc/55/77/09/1072557709.db2.gz SHPXZAWKECRDHO-JAIQZWGSSA-N 0 0 504.511 6.896 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409348128 1072558150 /nfs/dbraw/zinc/55/81/50/1072558150.db2.gz RNNMSHHEJFJTFN-ZBKNUEDVSA-N 0 0 648.200 8.642 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409348411 1072558241 /nfs/dbraw/zinc/55/82/41/1072558241.db2.gz SMDGSZQKMPGHJQ-VEILYXNESA-N 0 0 511.668 7.532 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409140617 1072558762 /nfs/dbraw/zinc/55/87/62/1072558762.db2.gz GWXHIJWSBNPIGJ-UBKPWBPPSA-N 0 0 680.371 5.353 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409348259 1072559026 /nfs/dbraw/zinc/55/90/26/1072559026.db2.gz RUOBOMSORLXASX-QRVIBDJDSA-N 0 0 558.494 7.198 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409140230 1072559975 /nfs/dbraw/zinc/55/99/75/1072559975.db2.gz GRPHGZRYKTZRQJ-QFIPXVFZSA-N 0 0 534.447 6.278 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409140287 1072560021 /nfs/dbraw/zinc/56/00/21/1072560021.db2.gz DHLJCWSOPIFRCC-IMRQLAEWSA-N 0 0 563.770 7.935 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409347755 1072561480 /nfs/dbraw/zinc/56/14/80/1072561480.db2.gz QXLAREQPUJDGIE-WSDLNYQXSA-N 0 0 639.989 7.660 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409347782 1072561833 /nfs/dbraw/zinc/56/18/33/1072561833.db2.gz MUFNWDOONLKHJD-XKZIYDEJSA-N 0 0 544.467 6.577 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409347818 1072561911 /nfs/dbraw/zinc/56/19/11/1072561911.db2.gz RHPGRSDURLYVON-MTJSOVHGSA-N 0 0 606.317 7.105 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409139895 1072562934 /nfs/dbraw/zinc/56/29/34/1072562934.db2.gz GGTRXMFQKSBVMM-WKULSOCRSA-N 0 0 633.836 6.675 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)SC2=S)cc1Cl ZINC000409347606 1072562896 /nfs/dbraw/zinc/56/28/96/1072562896.db2.gz QMSUIIQHXRZLLQ-KEBDBYFISA-N 0 0 529.983 5.859 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409347636 1072562913 /nfs/dbraw/zinc/56/29/13/1072562913.db2.gz QSARYGHDDXPOOV-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139687 1072563411 /nfs/dbraw/zinc/56/34/11/1072563411.db2.gz CXRWTQUBSPJCTN-FOKLQQMPSA-N 0 0 648.944 6.453 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347322 1072564346 /nfs/dbraw/zinc/56/43/46/1072564346.db2.gz PKZUZJDTWXFKIK-CIAFOILYSA-N 0 0 625.791 7.858 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347317 1072564404 /nfs/dbraw/zinc/56/44/04/1072564404.db2.gz PGMGZRDJQHOPOR-UCQKPKSFSA-N 0 0 574.949 7.794 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409139279 1072566067 /nfs/dbraw/zinc/56/60/67/1072566067.db2.gz CAFAGLFSRZQVAN-MFKUBSTISA-N 0 0 534.703 5.593 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409138503 1072569946 /nfs/dbraw/zinc/56/99/46/1072569946.db2.gz CTOJKQLSTCXYQW-SGMQAHBGSA-N 0 0 541.536 6.395 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409147182 1072577225 /nfs/dbraw/zinc/57/72/25/1072577225.db2.gz VLJFXFJTNKFQPA-FKYOTISTSA-N 0 0 557.535 6.171 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000409146855 1072578961 /nfs/dbraw/zinc/57/89/61/1072578961.db2.gz SZUYLBUAQKSKLK-IWIPYMOSSA-N 0 0 519.692 5.236 40 10 KKCBRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409365493 1072579275 /nfs/dbraw/zinc/57/92/75/1072579275.db2.gz ZXBLEWDCDKIZAQ-ZTHBWYQYSA-N 0 0 610.571 7.785 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409146764 1072580006 /nfs/dbraw/zinc/58/00/06/1072580006.db2.gz ULZXNVLKVXOERE-ZBKNUEDVSA-N 0 0 551.528 5.305 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146089 1072583274 /nfs/dbraw/zinc/58/32/74/1072583274.db2.gz RIVPWWKQKFCMQK-AUEPDCJTSA-N 0 0 580.644 5.744 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409146136 1072583749 /nfs/dbraw/zinc/58/37/49/1072583749.db2.gz JTNFHTOENSNHOY-FMCGGJTJSA-N 0 0 588.618 6.563 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409145426 1072587888 /nfs/dbraw/zinc/58/78/88/1072587888.db2.gz ICVKHSZZBNTWSL-JLPGSUDCSA-N 0 0 503.693 6.058 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145272 1072588822 /nfs/dbraw/zinc/58/88/22/1072588822.db2.gz NYKVQMFOOLTHBR-BHGWPJFGSA-N 0 0 618.018 7.130 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(OCc2ccccc2)c1 ZINC000409145159 1072589746 /nfs/dbraw/zinc/58/97/46/1072589746.db2.gz NASBHSWAOLXTHP-RWPZCVJISA-N 0 0 575.800 6.561 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409145027 1072590683 /nfs/dbraw/zinc/59/06/83/1072590683.db2.gz HNHPEAUOACQKOZ-QQXSKIMKSA-N 0 0 600.510 5.948 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156749 1072593509 /nfs/dbraw/zinc/59/35/09/1072593509.db2.gz STWOLDQBJKUDDV-ATLLOTDBSA-N 0 0 600.167 9.477 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156757 1072593513 /nfs/dbraw/zinc/59/35/13/1072593513.db2.gz STWOLDQBJKUDDV-GAKIBJFNSA-N 0 0 600.167 9.477 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409362688 1072593470 /nfs/dbraw/zinc/59/34/70/1072593470.db2.gz SHIALWYYIKTQAL-YJFLJSCQSA-N 0 0 555.708 6.880 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409156081 1072597072 /nfs/dbraw/zinc/59/70/72/1072597072.db2.gz KLLXGVFHUSAJBN-LGJNPRDNSA-N 0 0 602.515 7.233 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409155491 1072599325 /nfs/dbraw/zinc/59/93/25/1072599325.db2.gz RIUWYPSNSMGUIF-JOWJHRDDSA-N 0 0 634.612 10.130 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409153591 1072610876 /nfs/dbraw/zinc/61/08/76/1072610876.db2.gz IJXWAJBNKGXEJG-YWTKSJFSSA-N 0 0 600.167 9.477 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409153340 1072612947 /nfs/dbraw/zinc/61/29/47/1072612947.db2.gz HUJPDZKVTYSRDW-RHGYRFJNSA-N 0 0 576.274 8.078 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409359418 1072613481 /nfs/dbraw/zinc/61/34/81/1072613481.db2.gz NZKRUDRTEQCGKS-MZJWZYIUSA-N 0 0 555.681 6.340 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)ccc1Cl ZINC000409153060 1072615360 /nfs/dbraw/zinc/61/53/60/1072615360.db2.gz HGSNVFWLMYFQPU-HZHRSRAPSA-N 0 0 544.073 5.818 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409152885 1072615811 /nfs/dbraw/zinc/61/58/11/1072615811.db2.gz KFIZDNFVAOWSDW-DPOKWSEZSA-N 0 0 606.300 8.087 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409152871 1072615837 /nfs/dbraw/zinc/61/58/37/1072615837.db2.gz KETQQLFKJBTWEP-UYOCIXKTSA-N 0 0 544.416 5.805 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)ccc1Cl ZINC000409152844 1072615856 /nfs/dbraw/zinc/61/58/56/1072615856.db2.gz GIJJWEUCNYDASS-HYARGMPZSA-N 0 0 530.046 5.428 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409358117 1072622303 /nfs/dbraw/zinc/62/23/03/1072622303.db2.gz KBUQFSQYJHXSEP-MUFRIFMGSA-N 0 0 577.687 6.876 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1C ZINC000409358100 1072622308 /nfs/dbraw/zinc/62/23/08/1072622308.db2.gz KHRHIEVAANQVIH-YDZHTSKRSA-N 0 0 519.604 5.635 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409151387 1072623872 /nfs/dbraw/zinc/62/38/72/1072623872.db2.gz GLSVCGDPVURSPD-UNVFRBQDSA-N 0 0 579.749 9.132 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409149943 1072632553 /nfs/dbraw/zinc/63/25/53/1072632553.db2.gz WFYNYANLZYICDK-XKZIYDEJSA-N 0 0 540.022 5.682 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149762 1072633475 /nfs/dbraw/zinc/63/34/75/1072633475.db2.gz PYEHZLZFKBJDNS-ZVBGSRNCSA-N 0 0 544.054 5.957 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409149798 1072633503 /nfs/dbraw/zinc/63/35/03/1072633503.db2.gz RDUCVXYCEUUACR-UNOMPAQXSA-N 0 0 616.930 5.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409149603 1072634059 /nfs/dbraw/zinc/63/40/59/1072634059.db2.gz KWQHGUMONVCNAB-BHGWPJFGSA-N 0 0 648.044 7.139 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409149624 1072634504 /nfs/dbraw/zinc/63/45/04/1072634504.db2.gz LNIACFUHHIGVLQ-OKCVXOCRSA-N 0 0 598.790 7.266 40 10 KKCBRN O=C1[C@H](Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409149648 1072634604 /nfs/dbraw/zinc/63/46/04/1072634604.db2.gz MERQELOQCGBONM-NRFANRHFSA-N 0 0 524.441 6.822 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409374979 1072634857 /nfs/dbraw/zinc/63/48/57/1072634857.db2.gz CMLKJAUGUGYKLQ-UHFFFAOYSA-N 0 0 626.065 6.348 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)c(Cl)c1 ZINC000409149683 1072635054 /nfs/dbraw/zinc/63/50/54/1072635054.db2.gz NDLZQWXQNOXAGC-LPYMAVHISA-N 0 0 513.015 5.913 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409374587 1072635790 /nfs/dbraw/zinc/63/57/90/1072635790.db2.gz ULHLNFQDGUTGMD-FMCGGJTJSA-N 0 0 541.595 6.713 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409149361 1072636603 /nfs/dbraw/zinc/63/66/03/1072636603.db2.gz CVEYPUGKPWWORF-KBKYJPHKSA-N 0 0 617.620 7.420 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409373509 1072641933 /nfs/dbraw/zinc/64/19/33/1072641933.db2.gz WWAJSCFFGXWDJB-SRZZPIQSSA-N 0 0 594.929 7.172 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000409373163 1072643036 /nfs/dbraw/zinc/64/30/36/1072643036.db2.gz RHYBBSUEWHXGBF-VXLYETTFSA-N 0 0 526.467 6.117 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409373048 1072643488 /nfs/dbraw/zinc/64/34/88/1072643488.db2.gz VYJXMZILGWTPAZ-YBFXNURJSA-N 0 0 507.468 5.840 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409372897 1072643960 /nfs/dbraw/zinc/64/39/60/1072643960.db2.gz PTBKEWCWORGEGH-UFFVCSGVSA-N 0 0 643.799 7.926 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409372318 1072645972 /nfs/dbraw/zinc/64/59/72/1072645972.db2.gz MNBMVIJPBSYFFC-DHRITJCHSA-N 0 0 645.590 6.964 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409372325 1072646684 /nfs/dbraw/zinc/64/66/84/1072646684.db2.gz MNROZLZEWVACII-UFFVCSGVSA-N 0 0 704.370 7.263 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409147771 1072647548 /nfs/dbraw/zinc/64/75/48/1072647548.db2.gz ZABCILXBLHHGRE-UBKPWBPPSA-N 0 0 586.371 5.669 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000409372066 1072647731 /nfs/dbraw/zinc/64/77/31/1072647731.db2.gz LARVBDJXYUHFJR-NHDPSOOVSA-N 0 0 575.455 6.419 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000409372039 1072647747 /nfs/dbraw/zinc/64/77/47/1072647747.db2.gz NYSKUTSVHZCTIB-VCHYOVAHSA-N 0 0 558.390 7.210 40 10 KKCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409371255 1072650236 /nfs/dbraw/zinc/65/02/36/1072650236.db2.gz HHXHNJBCZXLAOM-VIZOYTHASA-N 0 0 533.256 5.702 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409371134 1072651291 /nfs/dbraw/zinc/65/12/91/1072651291.db2.gz GIIZASGNBLLKQK-KEBDBYFISA-N 0 0 640.368 6.676 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165805 1072652760 /nfs/dbraw/zinc/65/27/60/1072652760.db2.gz AGSDPMRCQAMMTG-CEYNDMKZSA-N 0 0 564.829 8.535 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409369626 1072657471 /nfs/dbraw/zinc/65/74/71/1072657471.db2.gz SDIGSVQAUOLKOE-FSJBWODESA-N 0 0 592.501 7.048 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409369484 1072658023 /nfs/dbraw/zinc/65/80/23/1072658023.db2.gz OTKWMUGNBMTUHM-NHDPSOOVSA-N 0 0 591.523 7.299 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409369289 1072660361 /nfs/dbraw/zinc/66/03/61/1072660361.db2.gz KAHCQIZORPOBLZ-MFOYZWKCSA-N 0 0 561.310 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(C)C ZINC000409369107 1072660991 /nfs/dbraw/zinc/66/09/91/1072660991.db2.gz COCZNKZVMHJTNE-JMIUGGIZSA-N 0 0 540.494 6.365 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409369063 1072661003 /nfs/dbraw/zinc/66/10/03/1072661003.db2.gz ZTFCSHCMVCPXAQ-ZVBGSRNCSA-N 0 0 599.348 7.817 40 10 KKCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409368831 1072663042 /nfs/dbraw/zinc/66/30/42/1072663042.db2.gz OQUVIMLSRURZNF-RGVLZGJSSA-N 0 0 532.430 6.394 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409368525 1072664998 /nfs/dbraw/zinc/66/49/98/1072664998.db2.gz AIKNTSUDUYTPDW-FSJBWODESA-N 0 0 617.536 6.266 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409368393 1072665568 /nfs/dbraw/zinc/66/55/68/1072665568.db2.gz UDYVFMWYRYATOM-JJFYIABZSA-N 0 0 578.474 6.658 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000409367765 1072668895 /nfs/dbraw/zinc/66/88/95/1072668895.db2.gz FPEIKEHNYVSIHB-FOKLQQMPSA-N 0 0 587.941 7.588 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409162385 1072671220 /nfs/dbraw/zinc/67/12/20/1072671220.db2.gz VABLAZFFHHVHDM-LSHDLFTRSA-N 0 0 539.635 5.312 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409159127 1072690087 /nfs/dbraw/zinc/69/00/87/1072690087.db2.gz YZIUAMSYLMBKKS-MZJWZYIUSA-N 0 0 598.552 7.402 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409158664 1072692818 /nfs/dbraw/zinc/69/28/18/1072692818.db2.gz PDQNDZSRWAVXTR-SRGWNRLKSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409158661 1072692861 /nfs/dbraw/zinc/69/28/61/1072692861.db2.gz PDQNDZSRWAVXTR-OJLQRUNKSA-N 0 0 576.274 8.078 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C2=O)o1 ZINC000409385305 1072694353 /nfs/dbraw/zinc/69/43/53/1072694353.db2.gz JEOUTSVNYNEUED-JFLMPSFJSA-N 0 0 577.058 6.943 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)o1 ZINC000409384882 1072696517 /nfs/dbraw/zinc/69/65/17/1072696517.db2.gz FIRLTDXXFABDJC-SRZZPIQSSA-N 0 0 529.412 5.781 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166741 1072702843 /nfs/dbraw/zinc/70/28/43/1072702843.db2.gz FOGSFZJLUFNTKU-CEYNDMKZSA-N 0 0 565.722 8.823 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409382280 1072708509 /nfs/dbraw/zinc/70/85/09/1072708509.db2.gz MMBKOKUMWDHBHK-YVLHZVERSA-N 0 0 637.302 5.705 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409176231 1072712118 /nfs/dbraw/zinc/71/21/18/1072712118.db2.gz ZAVRPLDWSXLHJN-YPBQGGFRSA-N 0 0 600.167 9.477 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409175966 1072713918 /nfs/dbraw/zinc/71/39/18/1072713918.db2.gz GFZYKHJNPNKEQJ-AWQFTUOYSA-N 0 0 648.200 8.642 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409175772 1072714853 /nfs/dbraw/zinc/71/48/53/1072714853.db2.gz CPDOBJPFQUIUKA-ZVBGSRNCSA-N 0 0 524.853 7.771 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409175651 1072715631 /nfs/dbraw/zinc/71/56/31/1072715631.db2.gz ABFTXMLFRZBNOE-ZMOGYAJESA-N 0 0 557.068 6.610 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409175456 1072716521 /nfs/dbraw/zinc/71/65/21/1072716521.db2.gz RMZNLFQZGCGPKX-JXQFQVJHSA-N 0 0 575.728 8.279 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409175483 1072716549 /nfs/dbraw/zinc/71/65/49/1072716549.db2.gz ZLEFWIOSTSXVGO-FSJBWODESA-N 0 0 545.013 6.771 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409380301 1072718096 /nfs/dbraw/zinc/71/80/96/1072718096.db2.gz BLXIZBNCUQGGEB-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409175005 1072718826 /nfs/dbraw/zinc/71/88/26/1072718826.db2.gz XRFQNHIZAKKFHI-MZJWZYIUSA-N 0 0 566.872 7.731 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)o1 ZINC000409389894 1072730551 /nfs/dbraw/zinc/73/05/51/1072730551.db2.gz QNUAQVYXRWNBQY-JAIQZWGSSA-N 0 0 515.385 5.473 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409171051 1072742313 /nfs/dbraw/zinc/74/23/13/1072742313.db2.gz XUPAXBLIBIYRCF-OJLQRUNKSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409171058 1072742366 /nfs/dbraw/zinc/74/23/66/1072742366.db2.gz XUPAXBLIBIYRCF-UAVUOLJFSA-N 0 0 576.274 8.078 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)o1 ZINC000409400323 1072746136 /nfs/dbraw/zinc/74/61/36/1072746136.db2.gz OJXPUCGNFJJTPP-MYYYXRDXSA-N 0 0 572.599 5.626 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N2 ZINC000409170068 1072747065 /nfs/dbraw/zinc/74/70/65/1072747065.db2.gz SIOGFLUJUAUDLS-WYEJZRMESA-N 0 0 554.868 7.303 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)C2=O)o1 ZINC000409399483 1072749649 /nfs/dbraw/zinc/74/96/49/1072749649.db2.gz JDOKZSVNZWCKJP-YSMPRRRNSA-N 0 0 543.551 5.285 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409168931 1072752851 /nfs/dbraw/zinc/75/28/51/1072752851.db2.gz NUEROKXOLOJSIN-LGJNPRDNSA-N 0 0 620.396 8.418 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168476 1072754880 /nfs/dbraw/zinc/75/48/80/1072754880.db2.gz MSLNWDVPVUBPGA-OWWKKJFISA-N 0 0 634.612 10.130 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186243 1072762260 /nfs/dbraw/zinc/76/22/60/1072762260.db2.gz ZIYVHHGFJJOQEB-CZUMTRSGSA-N 0 0 686.628 6.947 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186270 1072762718 /nfs/dbraw/zinc/76/27/18/1072762718.db2.gz ZTAGQFUZVJVGGF-MICRGUEUSA-N 0 0 727.080 8.756 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186266 1072762814 /nfs/dbraw/zinc/76/28/14/1072762814.db2.gz ZQSNIYHKZSCWKU-WMGYHRCKSA-N 0 0 836.035 10.382 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186110 1072763666 /nfs/dbraw/zinc/76/36/66/1072763666.db2.gz WSPDGUIBMUFSND-WFQVFFQTSA-N 0 0 845.643 10.127 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186113 1072763718 /nfs/dbraw/zinc/76/37/18/1072763718.db2.gz WVDVLPAHSADTLK-HWFKBBKOSA-N 0 0 859.786 9.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185983 1072765391 /nfs/dbraw/zinc/76/53/91/1072765391.db2.gz UIJTXSPDVRZBCZ-DGWBYFALSA-N 0 0 902.649 9.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185959 1072765502 /nfs/dbraw/zinc/76/55/02/1072765502.db2.gz TXHRWVANEUBTRL-RQBSVBTHSA-N 0 0 846.041 9.837 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186029 1072765983 /nfs/dbraw/zinc/76/59/83/1072765983.db2.gz VPDRPUHRLACLGB-JPXNXDTOSA-N 0 0 766.705 8.092 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186020 1072766020 /nfs/dbraw/zinc/76/60/20/1072766020.db2.gz VFFDZLUYFGYTLQ-NRNSZXCESA-N 0 0 905.596 8.868 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185790 1072766718 /nfs/dbraw/zinc/76/67/18/1072766718.db2.gz QCOVQMJTENOWRP-OUQGZGRZSA-N 0 0 777.697 8.330 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCC(=O)OC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185808 1072766739 /nfs/dbraw/zinc/76/67/39/1072766739.db2.gz QMKQCHLCXORQJU-SCRXMSBISA-N 0 0 758.691 6.793 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185798 1072766887 /nfs/dbraw/zinc/76/68/87/1072766887.db2.gz QGIOSLOGJLBFPH-DADRNANESA-N 0 0 697.857 7.976 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185856 1072767139 /nfs/dbraw/zinc/76/71/39/1072767139.db2.gz RMGPOWKMMDDUIO-ZBCOTULKSA-N 0 0 670.629 7.241 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185844 1072767181 /nfs/dbraw/zinc/76/71/81/1072767181.db2.gz RFJZRCZBYQEKML-PLZJDRFASA-N 0 0 698.845 7.413 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185644 1072768085 /nfs/dbraw/zinc/76/80/85/1072768085.db2.gz NUYZUABZYGEISM-HVPHOBGISA-N 0 0 831.616 9.737 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185680 1072768533 /nfs/dbraw/zinc/76/85/33/1072768533.db2.gz ONUVENXCFAPHBG-OYHXYFFHSA-N 0 0 589.761 7.203 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185734 1072769317 /nfs/dbraw/zinc/76/93/17/1072769317.db2.gz PFELWWBVPOJEMB-JXJWDXPYSA-N 0 0 591.733 6.397 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185338 1072770707 /nfs/dbraw/zinc/77/07/07/1072770707.db2.gz KRUNHUXRWJUGLZ-HMIJMLMZSA-N 0 0 732.700 8.421 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185426 1072771248 /nfs/dbraw/zinc/77/12/48/1072771248.db2.gz LJHNAEYONXWKJA-CZUMTRSGSA-N 0 0 705.074 7.894 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185108 1072771963 /nfs/dbraw/zinc/77/19/63/1072771963.db2.gz JHFHVVUHHULJRX-ODCPUKCESA-N 0 0 623.731 5.803 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185106 1072772001 /nfs/dbraw/zinc/77/20/01/1072772001.db2.gz JGLORKRXRNOQFS-NYYQTREMSA-N 0 0 718.275 8.321 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185137 1072772691 /nfs/dbraw/zinc/77/26/91/1072772691.db2.gz JQZQTYRIAYENEN-CNQUAOETSA-N 0 0 679.795 6.030 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184958 1072773538 /nfs/dbraw/zinc/77/35/38/1072773538.db2.gz ISWVSRXLNLMEKS-LDQPIKMASA-N 0 0 868.750 8.570 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184782 1072773955 /nfs/dbraw/zinc/77/39/55/1072773955.db2.gz HSKSICXDTYIZKE-MQDOJECHSA-N 0 0 776.753 8.820 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184779 1072774025 /nfs/dbraw/zinc/77/40/25/1072774025.db2.gz HSFSKCAWALKUOU-QICITKFESA-N 0 0 748.599 6.601 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184845 1072774535 /nfs/dbraw/zinc/77/45/35/1072774535.db2.gz IGPIKJUWKMGGIZ-RQBSVBTHSA-N 0 0 937.492 9.788 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184621 1072775390 /nfs/dbraw/zinc/77/53/90/1072775390.db2.gz HMPALOOCYIHCEZ-ZCXZDSKVSA-N 0 0 781.378 9.720 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccnc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184565 1072776732 /nfs/dbraw/zinc/77/67/32/1072776732.db2.gz YBXFINSPMRXERL-VNYZTVHCSA-N 0 0 548.668 5.475 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184586 1072776743 /nfs/dbraw/zinc/77/67/43/1072776743.db2.gz YHOAZYYZRIXLMW-RQBSVBTHSA-N 0 0 893.041 9.679 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184563 1072776826 /nfs/dbraw/zinc/77/68/26/1072776826.db2.gz YALWLUVCCJSICB-QTSPTMTHSA-N 0 0 693.181 7.901 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184601 1072777078 /nfs/dbraw/zinc/77/70/78/1072777078.db2.gz HDMDICKWCURCIY-WWXXKSMJSA-N 0 0 955.656 10.021 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCC(=O)OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184429 1072777590 /nfs/dbraw/zinc/77/75/90/1072777590.db2.gz GQTHIMQIQWRWRC-YBJTWJPCSA-N 0 0 635.742 5.632 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184432 1072777746 /nfs/dbraw/zinc/77/77/46/1072777746.db2.gz WUTDXHPBEZSVQZ-DKDMBQFYSA-N 0 0 797.171 9.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Br)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184186 1072778032 /nfs/dbraw/zinc/77/80/32/1072778032.db2.gz FNQFCBYSXHDDFU-FMWYSGSYSA-N 0 0 626.576 6.842 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184248 1072778565 /nfs/dbraw/zinc/77/85/65/1072778565.db2.gz VOAAGECSFJWBTI-ODCPUKCESA-N 0 0 642.177 6.750 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184221 1072778596 /nfs/dbraw/zinc/77/85/96/1072778596.db2.gz FUSQKHCWNKXESH-MUWTWVSGSA-N 0 0 699.833 7.704 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184121 1072779507 /nfs/dbraw/zinc/77/95/07/1072779507.db2.gz FHSIZMNQOPCDRP-YEVFQTDVSA-N 0 0 573.718 6.636 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184139 1072779560 /nfs/dbraw/zinc/77/95/60/1072779560.db2.gz FJXNGLUDQIMKKH-NPRFERMQSA-N 0 0 668.863 8.104 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc3c(c2)OCO3)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183740 1072780426 /nfs/dbraw/zinc/78/04/26/1072780426.db2.gz DGSVZPHANRWHKX-MDIMXAQTSA-N 0 0 697.813 7.388 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183851 1072781343 /nfs/dbraw/zinc/78/13/43/1072781343.db2.gz UDNZDEIVOAAPKP-IDGDCODKSA-N 0 0 648.184 7.993 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183613 1072781610 /nfs/dbraw/zinc/78/16/10/1072781610.db2.gz CMUZQCUNZLZZOC-FMWHXEFISA-N 0 0 641.793 7.632 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183655 1072782273 /nfs/dbraw/zinc/78/22/73/1072782273.db2.gz CVJZDTOKVFRZJX-NRNSZXCESA-N 0 0 858.596 9.026 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183690 1072782704 /nfs/dbraw/zinc/78/27/04/1072782704.db2.gz DBNHSRMNHXXSRP-JCADADRYSA-N 0 0 732.302 8.711 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183367 1072783834 /nfs/dbraw/zinc/78/38/34/1072783834.db2.gz BNDGGXKQKRVXMN-ADVCGUGWSA-N 0 0 732.700 8.421 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409183181 1072785010 /nfs/dbraw/zinc/78/50/10/1072785010.db2.gz SHARPFZXOBYLPS-VULFUBBASA-N 0 0 585.122 7.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183096 1072786680 /nfs/dbraw/zinc/78/66/80/1072786680.db2.gz AEQRXZOZGHVCGW-OBWDPHAXSA-N 0 0 950.593 8.776 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409182984 1072787609 /nfs/dbraw/zinc/78/76/09/1072787609.db2.gz QKERMHPQBXQSDT-MFKUBSTISA-N 0 0 605.698 5.005 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409182829 1072788077 /nfs/dbraw/zinc/78/80/77/1072788077.db2.gz OZCMXVUEONKBFV-LZYBPNLTSA-N 0 0 549.814 5.897 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409182195 1072792377 /nfs/dbraw/zinc/79/23/77/1072792377.db2.gz JEMFIYDUGKZVPL-GATIEOLUSA-N 0 0 605.097 5.517 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182188 1072792426 /nfs/dbraw/zinc/79/24/26/1072792426.db2.gz IYVWIZFEZGTIDY-VWHKHDRFSA-N 0 0 658.736 7.248 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181442 1072797464 /nfs/dbraw/zinc/79/74/64/1072797464.db2.gz AFELUMSXGKWBBX-SGUZWONUSA-N 0 0 658.780 6.208 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409180877 1072801086 /nfs/dbraw/zinc/80/10/86/1072801086.db2.gz WRFWXIBRZJBHPR-FMCGGJTJSA-N 0 0 500.016 6.781 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409180576 1072803390 /nfs/dbraw/zinc/80/33/90/1072803390.db2.gz XDKMFIIYRCQEJX-MUXKCCDJSA-N 0 0 619.809 6.285 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180304 1072804841 /nfs/dbraw/zinc/80/48/41/1072804841.db2.gz YAUZKYOFGVHHRR-AUEPDCJTSA-N 0 0 531.436 7.680 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409409820 1072808826 /nfs/dbraw/zinc/80/88/26/1072808826.db2.gz XLRJYUQHJWVKLY-UDWIEESQSA-N 0 0 558.226 5.261 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409178242 1072817750 /nfs/dbraw/zinc/81/77/50/1072817750.db2.gz JZEPHMZTHVNALF-HZHRSRAPSA-N 0 0 535.603 5.119 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409197018 1072827133 /nfs/dbraw/zinc/82/71/33/1072827133.db2.gz ZXJMMHOEONRDAP-LPYMAVHISA-N 0 0 624.953 6.878 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197038 1072827169 /nfs/dbraw/zinc/82/71/69/1072827169.db2.gz ULZIBEUWQXZJKV-JJFYIABZSA-N 0 0 686.818 8.009 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409196911 1072827983 /nfs/dbraw/zinc/82/79/83/1072827983.db2.gz RYWSVHGARJSNLV-NJZRLIGZSA-N 0 0 543.648 8.372 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409196992 1072828577 /nfs/dbraw/zinc/82/85/77/1072828577.db2.gz ZEFWXHBFEABFAH-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409196320 1072831561 /nfs/dbraw/zinc/83/15/61/1072831561.db2.gz TTXOPCBRJJUFRL-OYKKKHCWSA-N 0 0 509.027 6.919 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409194454 1072843502 /nfs/dbraw/zinc/84/35/02/1072843502.db2.gz CDCNELQAAGUBRL-ZMOGYAJESA-N 0 0 600.560 6.048 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409193933 1072848051 /nfs/dbraw/zinc/84/80/51/1072848051.db2.gz ICHYVQCXZGOKDL-AUEPDCJTSA-N 0 0 574.352 8.165 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409206889 1072888837 /nfs/dbraw/zinc/88/88/37/1072888837.db2.gz MWHBVKNIGVOPJP-XKZIYDEJSA-N 0 0 590.508 6.143 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409206252 1072892785 /nfs/dbraw/zinc/89/27/85/1072892785.db2.gz IRHKWWHCLQOGIG-FSJBWODESA-N 0 0 523.998 5.194 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409205952 1072894943 /nfs/dbraw/zinc/89/49/43/1072894943.db2.gz RYTAUJJEWJSNQA-QRVIBDJDSA-N 0 0 526.477 6.751 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205378 1072897995 /nfs/dbraw/zinc/89/79/95/1072897995.db2.gz QAXJRZACWBGOKG-RGVLZGJSSA-N 0 0 526.552 5.260 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1 ZINC000409205351 1072898189 /nfs/dbraw/zinc/89/81/89/1072898189.db2.gz BOOPCOYKMAJPKD-MIXAMLLLSA-N 0 0 520.679 7.647 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000409205427 1072898426 /nfs/dbraw/zinc/89/84/26/1072898426.db2.gz IJJSQRWSDGLCLY-DEDYPNTBSA-N 0 0 514.422 6.292 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409205253 1072899365 /nfs/dbraw/zinc/89/93/65/1072899365.db2.gz OYDWNUJWRUJXFO-ZXVVBBHZSA-N 0 0 554.488 6.912 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000409205149 1072900452 /nfs/dbraw/zinc/90/04/52/1072900452.db2.gz MVARXPDROSQWBZ-MTJSOVHGSA-N 0 0 544.452 5.892 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205150 1072900517 /nfs/dbraw/zinc/90/05/17/1072900517.db2.gz MVUSYQMYQNCYKG-WSDLNYQXSA-N 0 0 650.370 7.503 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409204971 1072901491 /nfs/dbraw/zinc/90/14/91/1072901491.db2.gz MPPUVTSONUXSRX-JAIQZWGSSA-N 0 0 515.410 6.640 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCC ZINC000409204210 1072906191 /nfs/dbraw/zinc/90/61/91/1072906191.db2.gz DNURWLKFXUDWBP-LICLKQGHSA-N 0 0 590.302 6.257 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409203996 1072908130 /nfs/dbraw/zinc/90/81/30/1072908130.db2.gz AYYDRLXZUPZSNR-MFOYZWKCSA-N 0 0 542.860 5.459 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c(Cl)c1 ZINC000409202561 1072913534 /nfs/dbraw/zinc/91/35/34/1072913534.db2.gz ULAKPRXRNXRVRE-UUASQNMZSA-N 0 0 502.788 5.410 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409201799 1072916541 /nfs/dbraw/zinc/91/65/41/1072916541.db2.gz PZLPVINVUAORJA-VCHYOVAHSA-N 0 0 566.252 6.786 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409199663 1072924922 /nfs/dbraw/zinc/92/49/22/1072924922.db2.gz INXXUNXPQCPUPS-RQZCQDPDSA-N 0 0 634.311 5.410 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198862 1072927984 /nfs/dbraw/zinc/92/79/84/1072927984.db2.gz MAMAPGCLAQFDGZ-NDENLUEZSA-N 0 0 558.435 6.349 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198638 1072928457 /nfs/dbraw/zinc/92/84/57/1072928457.db2.gz CMIGKSMZTFHQKZ-YSMPRRRNSA-N 0 0 528.611 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198594 1072929511 /nfs/dbraw/zinc/92/95/11/1072929511.db2.gz IGKLILUSMRQOBZ-WSDLNYQXSA-N 0 0 697.370 7.345 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409198528 1072929617 /nfs/dbraw/zinc/92/96/17/1072929617.db2.gz HGSFWOLIKMLINC-FOKLQQMPSA-N 0 0 595.367 8.139 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1Cl ZINC000409198095 1072931934 /nfs/dbraw/zinc/93/19/34/1072931934.db2.gz WWPGDMSZPXJCGT-NDENLUEZSA-N 0 0 537.968 7.201 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409197620 1072934146 /nfs/dbraw/zinc/93/41/46/1072934146.db2.gz KLUXJHRKWYVGRQ-ZVHZXABRSA-N 0 0 525.482 7.433 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409197412 1072936547 /nfs/dbraw/zinc/93/65/47/1072936547.db2.gz DXNYJAUTFYNETQ-QFEZKATASA-N 0 0 597.556 7.004 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000409207415 1072942337 /nfs/dbraw/zinc/94/23/37/1072942337.db2.gz WNNRNGXSYWFSJX-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409207448 1072942729 /nfs/dbraw/zinc/94/27/29/1072942729.db2.gz XCNWSFXGHRTIOL-UFFVCSGVSA-N 0 0 588.417 6.472 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409213636 1072955037 /nfs/dbraw/zinc/95/50/37/1072955037.db2.gz SMDMLFQPDOQBPM-FJEPWZHXSA-N 0 0 566.677 6.232 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409226902 1072972537 /nfs/dbraw/zinc/97/25/37/1072972537.db2.gz WNQWVYQCSXJCJK-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409225275 1072979294 /nfs/dbraw/zinc/97/92/94/1072979294.db2.gz KGNGCYFRNALZFK-YQODDJSKSA-N 0 0 552.596 5.112 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409223225 1072989381 /nfs/dbraw/zinc/98/93/81/1072989381.db2.gz DSFCWCKVJWHTAA-UCQKPKSFSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 ZINC000409222029 1072995501 /nfs/dbraw/zinc/99/55/01/1072995501.db2.gz BFHWCYLINFPPEJ-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409221803 1072997425 /nfs/dbraw/zinc/99/74/25/1072997425.db2.gz VFMGAIHGQBKRRI-UWOKGBPVSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409221353 1073000104 /nfs/dbraw/zinc/00/01/04/1073000104.db2.gz PBBYWVKOSDZBSH-MXAYSNPKSA-N 0 0 569.104 6.479 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409221022 1073001283 /nfs/dbraw/zinc/00/12/83/1073001283.db2.gz JKEKUMPBRQXMBT-VYYCAZPPSA-N 0 0 576.696 5.850 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409220821 1073001914 /nfs/dbraw/zinc/00/19/14/1073001914.db2.gz GIJZIUKGBWRYDL-LQKURTRISA-N 0 0 607.957 8.326 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)ccc1Br ZINC000409220762 1073003352 /nfs/dbraw/zinc/00/33/52/1073003352.db2.gz FKRLTPTXKVZYHQ-BEXDPUPVSA-N 0 0 567.530 6.737 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409220657 1073004327 /nfs/dbraw/zinc/00/43/27/1073004327.db2.gz CVVOXWLGXMJDSE-IMRQLAEWSA-N 0 0 573.095 7.556 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000409219106 1073009562 /nfs/dbraw/zinc/00/95/62/1073009562.db2.gz NGLVGIFZYOOTGP-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409229499 1073020312 /nfs/dbraw/zinc/02/03/12/1073020312.db2.gz PYPJSPMAIZHAGM-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409229216 1073022026 /nfs/dbraw/zinc/02/20/26/1073022026.db2.gz LJYSGTFZHJEBDD-JJFYIABZSA-N 0 0 579.914 7.079 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)SC1=S ZINC000409228796 1073025372 /nfs/dbraw/zinc/02/53/72/1073025372.db2.gz FJPXYJAYYBXVML-XYLCRUHJSA-N 0 0 553.503 6.429 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409227994 1073028898 /nfs/dbraw/zinc/02/88/98/1073028898.db2.gz YWZGEFJCUGGPLP-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409227625 1073031235 /nfs/dbraw/zinc/03/12/35/1073031235.db2.gz QYTHTQHTUGUAPX-RWPZCVJISA-N 0 0 546.454 7.073 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000409237086 1073033883 /nfs/dbraw/zinc/03/38/83/1073033883.db2.gz IUKCSCKATOPXFE-JLPGSUDCSA-N 0 0 567.530 6.219 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)c1 ZINC000409236757 1073035573 /nfs/dbraw/zinc/03/55/73/1073035573.db2.gz HHDKXODUZWHASM-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)cc1 ZINC000409236624 1073037103 /nfs/dbraw/zinc/03/71/03/1073037103.db2.gz SJOWTKPUUOSOAO-RDRPBHBLSA-N 0 0 567.667 6.357 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409236447 1073037805 /nfs/dbraw/zinc/03/78/05/1073037805.db2.gz GKFNICBDOIAPGL-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409236486 1073038277 /nfs/dbraw/zinc/03/82/77/1073038277.db2.gz SEKOIZSEWDTMEL-AOBKZXEFSA-N 0 0 553.105 6.719 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409236363 1073039551 /nfs/dbraw/zinc/03/95/51/1073039551.db2.gz FJMLNODILRTKQS-UCQKPKSFSA-N 0 0 558.603 6.446 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)cc1C ZINC000409236036 1073040318 /nfs/dbraw/zinc/04/03/18/1073040318.db2.gz RGNUMBXQULXHEQ-OYKKKHCWSA-N 0 0 581.557 7.106 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C ZINC000409235894 1073041264 /nfs/dbraw/zinc/04/12/64/1073041264.db2.gz CSQNIWXZSUUSLB-LSHDLFTRSA-N 0 0 513.978 5.570 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409235986 1073041778 /nfs/dbraw/zinc/04/17/78/1073041778.db2.gz QZPACPLOHBBWKE-QRVIBDJDSA-N 0 0 587.517 6.168 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409235386 1073045144 /nfs/dbraw/zinc/04/51/44/1073045144.db2.gz OYYKRODGDHVKHP-UNOMPAQXSA-N 0 0 582.485 5.237 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cccc1C ZINC000409234631 1073049295 /nfs/dbraw/zinc/04/92/95/1073049295.db2.gz OEZWYXUEQSTCJP-MTJSOVHGSA-N 0 0 587.517 6.086 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409234320 1073050695 /nfs/dbraw/zinc/05/06/95/1073050695.db2.gz VMPGOSMXCGMQHV-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409234375 1073050973 /nfs/dbraw/zinc/05/09/73/1073050973.db2.gz ZQWLVFPZXIJZML-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409234172 1073051530 /nfs/dbraw/zinc/05/15/30/1073051530.db2.gz MXIFHMUOWCVPHN-QZPXRHMKSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409234099 1073052917 /nfs/dbraw/zinc/05/29/17/1073052917.db2.gz YXKQDUIAMARKLY-UUMRFZBWSA-N 0 0 577.522 5.246 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1 ZINC000409233821 1073053333 /nfs/dbraw/zinc/05/33/33/1073053333.db2.gz HTZCYFVCQHRKSI-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c3)SC2=S)cc1 ZINC000409233616 1073054796 /nfs/dbraw/zinc/05/47/96/1073054796.db2.gz GUVYPSVPELRQRN-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409233510 1073055767 /nfs/dbraw/zinc/05/57/67/1073055767.db2.gz GAOMZIZOCFYCJY-SSDVNMTOSA-N 0 0 542.430 5.979 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409233229 1073055800 /nfs/dbraw/zinc/05/58/00/1073055800.db2.gz DSZZPACMSGKZAQ-UWOKGBPVSA-N 0 0 553.489 5.400 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409233295 1073056392 /nfs/dbraw/zinc/05/63/92/1073056392.db2.gz URVDACFUZNBHGO-JVWAILMASA-N 0 0 515.972 6.563 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409233367 1073056879 /nfs/dbraw/zinc/05/68/79/1073056879.db2.gz VINFEKKICJKWGG-UFFVCSGVSA-N 0 0 562.848 6.324 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409233156 1073057399 /nfs/dbraw/zinc/05/73/99/1073057399.db2.gz RDUMFYYOBGNGOA-FMCGGJTJSA-N 0 0 511.409 5.495 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 ZINC000409232955 1073057978 /nfs/dbraw/zinc/05/79/78/1073057978.db2.gz JFLBWQGJQDTOBS-MFKUBSTISA-N 0 0 505.615 6.251 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409232959 1073058082 /nfs/dbraw/zinc/05/80/82/1073058082.db2.gz JGNLYJJXXNELER-MXAYSNPKSA-N 0 0 583.087 5.886 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1 ZINC000409232796 1073058551 /nfs/dbraw/zinc/05/85/51/1073058551.db2.gz QASVVEUZHGAZGK-YDZHTSKRSA-N 0 0 554.466 5.849 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409232461 1073061180 /nfs/dbraw/zinc/06/11/80/1073061180.db2.gz ICBTVAOVDNGTPX-RMORIDSASA-N 0 0 573.479 6.141 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409232450 1073061254 /nfs/dbraw/zinc/06/12/54/1073061254.db2.gz HWHCUKLPBXYZIV-IMRQLAEWSA-N 0 0 561.729 6.137 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409232313 1073062293 /nfs/dbraw/zinc/06/22/93/1073062293.db2.gz NUOZPIIQLWKJRP-MTDXEUNCSA-N 0 0 550.615 5.213 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409231920 1073063115 /nfs/dbraw/zinc/06/31/15/1073063115.db2.gz FZPMUXHOYPTWSV-FBHDLOMBSA-N 0 0 584.333 7.724 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccccc1Cl ZINC000409231625 1073064338 /nfs/dbraw/zinc/06/43/38/1073064338.db2.gz DIODDYJHCVINFX-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409231545 1073064607 /nfs/dbraw/zinc/06/46/07/1073064607.db2.gz LCLIVXXCLFYRBL-XKZIYDEJSA-N 0 0 577.486 6.955 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409231144 1073067202 /nfs/dbraw/zinc/06/72/02/1073067202.db2.gz HWINEPHTXHVVRW-WGARJPEWSA-N 0 0 576.696 5.850 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409230855 1073067947 /nfs/dbraw/zinc/06/79/47/1073067947.db2.gz GMKXLXYEBWHLFH-OYKKKHCWSA-N 0 0 587.550 7.432 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409230549 1073069267 /nfs/dbraw/zinc/06/92/67/1073069267.db2.gz ZILXLRAKWCUPSY-JJFYIABZSA-N 0 0 573.479 6.141 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)SC1=S ZINC000409247142 1073071845 /nfs/dbraw/zinc/07/18/45/1073071845.db2.gz BIKYPWRKYWRIMJ-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409247229 1073072059 /nfs/dbraw/zinc/07/20/59/1073072059.db2.gz GYRWRDCDIUZSPQ-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O ZINC000409247070 1073072837 /nfs/dbraw/zinc/07/28/37/1073072837.db2.gz GDMCURJOLQQAEH-OVVQPSECSA-N 0 0 513.642 5.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409245826 1073080422 /nfs/dbraw/zinc/08/04/22/1073080422.db2.gz ZLIQBJXSUSSBDU-AFPJDJCSSA-N 0 0 563.459 6.564 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000409245661 1073081966 /nfs/dbraw/zinc/08/19/66/1073081966.db2.gz XFCGZKBQZQGTTH-AYBCGVOZSA-N 0 0 561.523 5.464 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409245919 1073081993 /nfs/dbraw/zinc/08/19/93/1073081993.db2.gz AWWIJPYTCFGNAB-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409245513 1073082718 /nfs/dbraw/zinc/08/27/18/1073082718.db2.gz UYZQIGBVYXBTKQ-NVMNQCDNSA-N 0 0 555.903 5.658 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409245568 1073083181 /nfs/dbraw/zinc/08/31/81/1073083181.db2.gz VYUAZWFPKUYIPW-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409245533 1073083301 /nfs/dbraw/zinc/08/33/01/1073083301.db2.gz VIVLFYGZOQGIHN-UFFVCSGVSA-N 0 0 534.852 6.729 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2OC)cc1 ZINC000409245258 1073084915 /nfs/dbraw/zinc/08/49/15/1073084915.db2.gz PVPBHPJEOOXBCA-WGARJPEWSA-N 0 0 562.669 5.405 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409245116 1073085681 /nfs/dbraw/zinc/08/56/81/1073085681.db2.gz NQCOFMCDVWXEBL-JJFYIABZSA-N 0 0 579.021 6.791 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409244619 1073087204 /nfs/dbraw/zinc/08/72/04/1073087204.db2.gz GGOVQAMOSDURCM-MYYYXRDXSA-N 0 0 586.657 7.090 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409243685 1073092265 /nfs/dbraw/zinc/09/22/65/1073092265.db2.gz XPGLDFUPPLKYND-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409243395 1073093385 /nfs/dbraw/zinc/09/33/85/1073093385.db2.gz YHDNKLVQQIUFLP-UCQKPKSFSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409243031 1073094054 /nfs/dbraw/zinc/09/40/54/1073094054.db2.gz UOSYRJMYNIBYHK-ZMFRSBBQSA-N 0 0 562.669 5.460 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409242878 1073094664 /nfs/dbraw/zinc/09/46/64/1073094664.db2.gz WKDGIIORLZREIQ-MXAYSNPKSA-N 0 0 587.550 6.854 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409241183 1073103098 /nfs/dbraw/zinc/10/30/98/1073103098.db2.gz JGUUBVPUFLXVHB-ODLFYWEKSA-N 0 0 582.485 5.235 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)SC1=S ZINC000409241231 1073103675 /nfs/dbraw/zinc/10/36/75/1073103675.db2.gz SESCZKJGWWEBNP-WQRHYEAKSA-N 0 0 582.485 5.155 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1C ZINC000409241009 1073104231 /nfs/dbraw/zinc/10/42/31/1073104231.db2.gz WEERLZNUHWTWER-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409240229 1073110420 /nfs/dbraw/zinc/11/04/20/1073110420.db2.gz FZGQXVNECMVMGI-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)c1 ZINC000409240032 1073111408 /nfs/dbraw/zinc/11/14/08/1073111408.db2.gz NZSGFDHCAYQEKN-FMCGGJTJSA-N 0 0 574.602 6.146 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409239461 1073114442 /nfs/dbraw/zinc/11/44/42/1073114442.db2.gz MXADAKXJUVTGGH-BUVRLJJBSA-N 0 0 528.996 5.191 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000409239432 1073114530 /nfs/dbraw/zinc/11/45/30/1073114530.db2.gz PYIXNRSAUDUOEZ-NLRVBDNBSA-N 0 0 623.735 5.827 40 10 KKCBRN Cc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000409238722 1073118917 /nfs/dbraw/zinc/11/89/17/1073118917.db2.gz NMQTUBOKDWUJON-UHFFFAOYSA-N 0 0 527.374 6.601 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409238602 1073119787 /nfs/dbraw/zinc/11/97/87/1073119787.db2.gz BAAFAHKVLZHDAY-FBHDLOMBSA-N 0 0 563.484 6.322 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409238411 1073120849 /nfs/dbraw/zinc/12/08/49/1073120849.db2.gz ZPOYNMNWDJFXBL-ZMOGYAJESA-N 0 0 500.555 5.456 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409238321 1073121847 /nfs/dbraw/zinc/12/18/47/1073121847.db2.gz MVDLZJVDPFJSIT-MYYYXRDXSA-N 0 0 553.105 6.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409238092 1073122335 /nfs/dbraw/zinc/12/23/35/1073122335.db2.gz KHKUUTRRAVGANN-NAGKPISUSA-N 0 0 587.041 5.765 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)c(OC)c3)SC2=S)cc1 ZINC000409238076 1073122338 /nfs/dbraw/zinc/12/23/38/1073122338.db2.gz BWVLYZNIZFXLKW-MYYYXRDXSA-N 0 0 550.658 5.526 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)SC1=S ZINC000409237959 1073123363 /nfs/dbraw/zinc/12/33/63/1073123363.db2.gz KNJFNHCPBZYNRR-MOSHPQCFSA-N 0 0 565.511 5.485 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)SC2=S)cc1 ZINC000409237833 1073124460 /nfs/dbraw/zinc/12/44/60/1073124460.db2.gz JWAAOTPWFWAZMM-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1C ZINC000409237728 1073125935 /nfs/dbraw/zinc/12/59/35/1073125935.db2.gz BOYJSHKQOZMLKH-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409251339 1073127725 /nfs/dbraw/zinc/12/77/25/1073127725.db2.gz PGFVBNXSKUIVLE-KEBDBYFISA-N 0 0 518.397 6.215 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2OCC)cc1 ZINC000409251186 1073128717 /nfs/dbraw/zinc/12/87/17/1073128717.db2.gz OSRLOXZKQWGNDF-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1Cl ZINC000409251097 1073130546 /nfs/dbraw/zinc/13/05/46/1073130546.db2.gz OHXGAWXSMIYKHZ-KSEXSDGBSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409250748 1073132354 /nfs/dbraw/zinc/13/23/54/1073132354.db2.gz NVLQIYMDRVJKFH-MYYYXRDXSA-N 0 0 586.657 7.090 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)SC1=S ZINC000409250755 1073132898 /nfs/dbraw/zinc/13/28/98/1073132898.db2.gz NVSCYIOAGHVNTR-BKUYFWCQSA-N 0 0 579.538 5.330 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409250753 1073132939 /nfs/dbraw/zinc/13/29/39/1073132939.db2.gz MTCNFMRQVZASKP-GRSHGNNSSA-N 0 0 511.452 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409250672 1073133869 /nfs/dbraw/zinc/13/38/69/1073133869.db2.gz NLHCGIPBAVGMIZ-UQQQWYQISA-N 0 0 567.132 6.509 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000409250341 1073135411 /nfs/dbraw/zinc/13/54/11/1073135411.db2.gz NECAEERGZQXWDP-OQLNFPPLSA-N 0 0 581.557 7.046 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409250293 1073137020 /nfs/dbraw/zinc/13/70/20/1073137020.db2.gz MXNGQUHWUTYHFE-JAIQZWGSSA-N 0 0 549.512 5.702 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000409249905 1073138659 /nfs/dbraw/zinc/13/86/59/1073138659.db2.gz JNJPQHPFVJXDGL-IWIPYMOSSA-N 0 0 538.622 5.656 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409249492 1073141826 /nfs/dbraw/zinc/14/18/26/1073141826.db2.gz UKHXHGYLKZJGKQ-JJFYIABZSA-N 0 0 563.459 6.564 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409249421 1073143250 /nfs/dbraw/zinc/14/32/50/1073143250.db2.gz IVXUDCKFEPFVOD-XKZIYDEJSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(OCC)cc4)C3=O)c2)cc1 ZINC000409249227 1073143686 /nfs/dbraw/zinc/14/36/86/1073143686.db2.gz GWVJSMUXGUJNTE-UQQQWYQISA-N 0 0 534.659 5.907 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1 ZINC000409249088 1073144814 /nfs/dbraw/zinc/14/48/14/1073144814.db2.gz IJCWTCXGONYMKR-QRVIBDJDSA-N 0 0 558.512 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409248893 1073145233 /nfs/dbraw/zinc/14/52/33/1073145233.db2.gz HSAZSMJCFVTEJE-WFSKJOQISA-N 0 0 532.687 5.743 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409248505 1073148425 /nfs/dbraw/zinc/14/84/25/1073148425.db2.gz KUSNGBMCZXKBAL-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409248549 1073148863 /nfs/dbraw/zinc/14/88/63/1073148863.db2.gz HDULYDPVOZMCGL-UHFFFAOYSA-N 0 0 688.962 7.411 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409248230 1073150413 /nfs/dbraw/zinc/15/04/13/1073150413.db2.gz CTJCRTILBHMNPC-JMIUGGIZSA-N 0 0 519.431 6.005 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000409247679 1073152183 /nfs/dbraw/zinc/15/21/83/1073152183.db2.gz AHHGSUGHIXMLDR-XHFXOGKZSA-N 0 0 523.079 6.628 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)cc1 ZINC000409256594 1073155352 /nfs/dbraw/zinc/15/53/52/1073155352.db2.gz PMQJGJXQLFYEJO-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409256914 1073158603 /nfs/dbraw/zinc/15/86/03/1073158603.db2.gz QPYDDIAKOGHASS-NAHYFOQLSA-N 0 0 534.659 5.684 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409256362 1073161440 /nfs/dbraw/zinc/16/14/40/1073161440.db2.gz OGGOKCXSPQBMGL-ONUIUJJFSA-N 0 0 532.687 5.773 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1 ZINC000409256257 1073162810 /nfs/dbraw/zinc/16/28/10/1073162810.db2.gz KXXPWSXCNKNBLM-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2Cl)cc1 ZINC000409255734 1073165321 /nfs/dbraw/zinc/16/53/21/1073165321.db2.gz INVBWZSJFQXZPM-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1 ZINC000409255586 1073166264 /nfs/dbraw/zinc/16/62/64/1073166264.db2.gz MGKHVZILEACRNE-KSEXSDGBSA-N 0 0 543.497 6.979 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)c(C)c1 ZINC000409255659 1073166651 /nfs/dbraw/zinc/16/66/51/1073166651.db2.gz IGYZQQBFXHDKNC-XKZIYDEJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409255476 1073167400 /nfs/dbraw/zinc/16/74/00/1073167400.db2.gz KTTWXMKMULPUOF-MUFRIFMGSA-N 0 0 643.722 5.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409254983 1073168679 /nfs/dbraw/zinc/16/86/79/1073168679.db2.gz YTBCFEMGMLEYAE-QRVIBDJDSA-N 0 0 522.648 5.632 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)SC1=S ZINC000409254905 1073169629 /nfs/dbraw/zinc/16/96/29/1073169629.db2.gz YIMGVJCZSTUCEP-BKUYFWCQSA-N 0 0 535.087 5.221 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254947 1073169952 /nfs/dbraw/zinc/16/99/52/1073169952.db2.gz JYCHEOMLVCHRHT-PXNMLYILSA-N 0 0 527.849 5.008 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409254737 1073170467 /nfs/dbraw/zinc/17/04/67/1073170467.db2.gz JGEZUAGBIVDVMN-WQFTWXBESA-N 0 0 547.098 5.363 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)SC2=S)cc1 ZINC000409254730 1073170480 /nfs/dbraw/zinc/17/04/80/1073170480.db2.gz YDJUBSXKVGJHAX-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409254606 1073171644 /nfs/dbraw/zinc/17/16/44/1073171644.db2.gz FECJRNOOHCYMPR-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409254072 1073177091 /nfs/dbraw/zinc/17/70/91/1073177091.db2.gz HMXNOCMQKXVQHS-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)cc1 ZINC000409253948 1073178562 /nfs/dbraw/zinc/17/85/62/1073178562.db2.gz WAFWAJFEJPFADT-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409253718 1073178627 /nfs/dbraw/zinc/17/86/27/1073178627.db2.gz BWBCICGCASTUPJ-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)SC1=S ZINC000409253734 1073179251 /nfs/dbraw/zinc/17/92/51/1073179251.db2.gz YECZKBPDZXDEDT-YOBACFSGSA-N 0 0 527.042 6.459 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2Cl)cc1 ZINC000409253654 1073180695 /nfs/dbraw/zinc/18/06/95/1073180695.db2.gz GHVSIRLVNFWCFI-XKZIYDEJSA-N 0 0 513.040 5.914 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409253243 1073181625 /nfs/dbraw/zinc/18/16/25/1073181625.db2.gz ATDJWHNOZPAZGN-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)c1 ZINC000409253258 1073181727 /nfs/dbraw/zinc/18/17/27/1073181727.db2.gz BBCVZIKYDQAFLY-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c1C ZINC000409253043 1073183884 /nfs/dbraw/zinc/18/38/84/1073183884.db2.gz DMLRWVBUKCBGQI-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409252898 1073184717 /nfs/dbraw/zinc/18/47/17/1073184717.db2.gz VGEKOLZHPKUNIR-RWPZCVJISA-N 0 0 631.711 5.750 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409252656 1073185060 /nfs/dbraw/zinc/18/50/60/1073185060.db2.gz UJPHGFOYVKEUEQ-ZWXNIRCYSA-N 0 0 532.687 6.292 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2OC)cc1 ZINC000409252928 1073185164 /nfs/dbraw/zinc/18/51/64/1073185164.db2.gz AACOJDOBAVQODV-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409252502 1073186091 /nfs/dbraw/zinc/18/60/91/1073186091.db2.gz SGKZQSZCAZWYNC-LFVJCYFKSA-N 0 0 523.636 6.226 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409252773 1073186101 /nfs/dbraw/zinc/18/61/01/1073186101.db2.gz SWNGFTGJDUOCKQ-USHMODERSA-N 0 0 568.676 6.911 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409252384 1073187496 /nfs/dbraw/zinc/18/74/96/1073187496.db2.gz SGSZQZQIKABRQS-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000409252275 1073188239 /nfs/dbraw/zinc/18/82/39/1073188239.db2.gz CYOWPGSZSSKNHA-JLPGSUDCSA-N 0 0 523.079 6.110 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252241 1073188341 /nfs/dbraw/zinc/18/83/41/1073188341.db2.gz WWZSZTVBAFFICP-PKFJFBDISA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409251510 1073192689 /nfs/dbraw/zinc/19/26/89/1073192689.db2.gz QVTNSNVQHJDAHK-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409251537 1073192734 /nfs/dbraw/zinc/19/27/34/1073192734.db2.gz RAQUHLCUPKCMDK-TYRKEJLSSA-N 0 0 546.714 6.628 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3)SC2=S)cc1 ZINC000409265319 1073194852 /nfs/dbraw/zinc/19/48/52/1073194852.db2.gz SGCIXTDETSZKTL-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000409267192 1073197093 /nfs/dbraw/zinc/19/70/93/1073197093.db2.gz TXIBUDBOMIWRDN-SMNNTEATSA-N 0 0 523.079 6.628 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409266880 1073198849 /nfs/dbraw/zinc/19/88/49/1073198849.db2.gz RYFIPNXPZHHWFQ-IMRQLAEWSA-N 0 0 546.714 6.633 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409266571 1073200619 /nfs/dbraw/zinc/20/06/19/1073200619.db2.gz PURIXWKMUOJVAF-UHFFFAOYSA-N 0 0 610.066 6.648 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)SC1=S ZINC000409266386 1073201512 /nfs/dbraw/zinc/20/15/12/1073201512.db2.gz WIWBDHQUSAIFPZ-XYLCRUHJSA-N 0 0 542.604 6.685 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409266252 1073202835 /nfs/dbraw/zinc/20/28/35/1073202835.db2.gz PLMZFDWYLXZTBP-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409266131 1073203594 /nfs/dbraw/zinc/20/35/94/1073203594.db2.gz JUCRFNOSZKWJRZ-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000409265845 1073205313 /nfs/dbraw/zinc/20/53/13/1073205313.db2.gz UOGDCJHIQVTBAD-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)oc21 ZINC000033515823 1073207784 /nfs/dbraw/zinc/20/77/84/1073207784.db2.gz WEPKFYDWWIEHEQ-RXULLKCLSA-N 0 0 517.632 5.674 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409265168 1073208862 /nfs/dbraw/zinc/20/88/62/1073208862.db2.gz SQRHSCLMBVDSAU-CCVNUDIWSA-N 0 0 612.579 7.710 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409264964 1073209210 /nfs/dbraw/zinc/20/92/10/1073209210.db2.gz NBQDRAUAGMGSIA-BKUYFWCQSA-N 0 0 529.014 5.911 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OCC)cc4)C3=O)cc2)cc1 ZINC000409265034 1073209665 /nfs/dbraw/zinc/20/96/65/1073209665.db2.gz NJTKAUXCDDRKMN-UQQQWYQISA-N 0 0 534.659 5.907 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409264844 1073210609 /nfs/dbraw/zinc/21/06/09/1073210609.db2.gz GHZMKIPRRCMWFJ-UMUMUWHJSA-N 0 0 533.071 5.055 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409264751 1073211265 /nfs/dbraw/zinc/21/12/65/1073211265.db2.gz RUKFIQSUBFOZDG-MOSHPQCFSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S ZINC000409264437 1073212736 /nfs/dbraw/zinc/21/27/36/1073212736.db2.gz LITSNJYXDYWKJB-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)SC2=S)cc1 ZINC000409264432 1073212813 /nfs/dbraw/zinc/21/28/13/1073212813.db2.gz LIJRSIGTBBQHFX-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409263635 1073216678 /nfs/dbraw/zinc/21/66/78/1073216678.db2.gz LSPMNFGPGSVLMW-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409263429 1073218553 /nfs/dbraw/zinc/21/85/53/1073218553.db2.gz KVANNJXQAPCDPT-VPBNWZFVSA-N 0 0 548.686 6.074 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409262746 1073219951 /nfs/dbraw/zinc/21/99/51/1073219951.db2.gz GWIXHCBOVPLXJW-JAIQZWGSSA-N 0 0 549.457 6.014 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)SC2=S)cc1 ZINC000409262572 1073220677 /nfs/dbraw/zinc/22/06/77/1073220677.db2.gz FYTRUBPLLOXAOD-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409262584 1073220798 /nfs/dbraw/zinc/22/07/98/1073220798.db2.gz IZHVLHJWSHKCLX-FMCGGJTJSA-N 0 0 543.497 6.455 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409262632 1073221104 /nfs/dbraw/zinc/22/11/04/1073221104.db2.gz JFMAFTUPIOLVTN-QRVIBDJDSA-N 0 0 585.467 5.991 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC ZINC000409262615 1073221187 /nfs/dbraw/zinc/22/11/87/1073221187.db2.gz GCVWSPIJGBUTKV-FDRCZSESSA-N 0 0 532.687 6.238 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S ZINC000409262701 1073221466 /nfs/dbraw/zinc/22/14/66/1073221466.db2.gz JQAHCEISVWEDQU-MTJSOVHGSA-N 0 0 539.506 6.411 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)SC2=S)cc1Cl ZINC000409262403 1073222727 /nfs/dbraw/zinc/22/27/27/1073222727.db2.gz IMOKWJDPWOKSOU-JJFYIABZSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409262238 1073223442 /nfs/dbraw/zinc/22/34/42/1073223442.db2.gz FYIKMFLZHUSFOH-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c(C)c1 ZINC000409262020 1073223765 /nfs/dbraw/zinc/22/37/65/1073223765.db2.gz BWRVSOXNNRCKGU-UCQKPKSFSA-N 0 0 523.079 6.689 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409261955 1073225001 /nfs/dbraw/zinc/22/50/01/1073225001.db2.gz GGSMCOBUCWENAT-BKUYFWCQSA-N 0 0 543.439 6.012 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S ZINC000409261771 1073225829 /nfs/dbraw/zinc/22/58/29/1073225829.db2.gz DIMXTICLPYTGDY-XMSCMFJESA-N 0 0 542.604 6.685 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409261412 1073226959 /nfs/dbraw/zinc/22/69/59/1073226959.db2.gz BUXPKZBNRBGLPV-ODLFYWEKSA-N 0 0 529.005 6.378 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000409261467 1073227281 /nfs/dbraw/zinc/22/72/81/1073227281.db2.gz CGLJOWXQAQLSER-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409261374 1073228392 /nfs/dbraw/zinc/22/83/92/1073228392.db2.gz AXZLPJHEKPBQDB-PDGQHHTCSA-N 0 0 521.458 5.086 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409261157 1073228771 /nfs/dbraw/zinc/22/87/71/1073228771.db2.gz ARKIQQDFFGTKSO-MFOYZWKCSA-N 0 0 530.977 5.606 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409261126 1073228815 /nfs/dbraw/zinc/22/88/15/1073228815.db2.gz AFSNPENJCFOPSX-QFEZKATASA-N 0 0 548.642 5.233 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2Cl)cc1 ZINC000409260929 1073231116 /nfs/dbraw/zinc/23/11/16/1073231116.db2.gz YQGNZKPTSPZYRW-CVHFWEDTSA-N 0 0 517.072 5.300 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409260135 1073235475 /nfs/dbraw/zinc/23/54/75/1073235475.db2.gz LHVWPLDHOOIJQR-CVHFWEDTSA-N 0 0 547.098 5.445 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409258908 1073243452 /nfs/dbraw/zinc/24/34/52/1073243452.db2.gz YFYXNBXSBSHQLU-QQXSKIMKSA-N 0 0 547.702 5.801 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1 ZINC000409258647 1073243831 /nfs/dbraw/zinc/24/38/31/1073243831.db2.gz YMQZNYYOCSPSPH-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409258493 1073244647 /nfs/dbraw/zinc/24/46/47/1073244647.db2.gz XFOPLSBMRWEGMJ-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409258542 1073245171 /nfs/dbraw/zinc/24/51/71/1073245171.db2.gz XYZXLWUSRLUGRF-UVHMKAGCSA-N 0 0 668.128 5.796 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)c(C)c1 ZINC000409258617 1073245512 /nfs/dbraw/zinc/24/55/12/1073245512.db2.gz VRPHKIVWWILAFY-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409258475 1073246337 /nfs/dbraw/zinc/24/63/37/1073246337.db2.gz XRWVCXNOXVNROK-NDENLUEZSA-N 0 0 535.485 5.475 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c(C)c1 ZINC000409258123 1073247952 /nfs/dbraw/zinc/24/79/52/1073247952.db2.gz WOXWXJQNOQVYJN-MXAYSNPKSA-N 0 0 546.670 5.759 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409258167 1073247982 /nfs/dbraw/zinc/24/79/82/1073247982.db2.gz WUKJXQUOZVANCA-VXIUPONVSA-N 0 0 523.463 5.391 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409257791 1073249149 /nfs/dbraw/zinc/24/91/49/1073249149.db2.gz SGFLPRWEMYYSSO-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2OC)c1 ZINC000409257353 1073252143 /nfs/dbraw/zinc/25/21/43/1073252143.db2.gz SEVBTFVXVORYFF-OYKKKHCWSA-N 0 0 520.632 5.436 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409272183 1073258540 /nfs/dbraw/zinc/25/85/40/1073258540.db2.gz PEOVBAWDIKMIPO-UHFFFAOYSA-N 0 0 668.544 7.066 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)ccc1Br ZINC000409271211 1073264499 /nfs/dbraw/zinc/26/44/99/1073264499.db2.gz KNZCPPCYTSHQSC-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409270821 1073266876 /nfs/dbraw/zinc/26/68/76/1073266876.db2.gz HZYNYGVELDBQNZ-JGVLGKFESA-N 0 0 533.071 5.055 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3)SC2=S)cc1 ZINC000409270723 1073269350 /nfs/dbraw/zinc/26/93/50/1073269350.db2.gz HOMAUYFIHKQNKD-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409270462 1073270171 /nfs/dbraw/zinc/27/01/71/1073270171.db2.gz PVUPAGBSFRLVFO-MSXFZWOLSA-N 0 0 540.472 6.022 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)c1 ZINC000409270050 1073272894 /nfs/dbraw/zinc/27/28/94/1073272894.db2.gz BMNVFVTYPJSBBQ-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409270007 1073274128 /nfs/dbraw/zinc/27/41/28/1073274128.db2.gz NNHUMGGEOOHDAT-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000409269163 1073278978 /nfs/dbraw/zinc/27/89/78/1073278978.db2.gz GHGJGGOVQVSJOF-GEWRUKCFSA-N 0 0 543.497 6.973 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409269216 1073279410 /nfs/dbraw/zinc/27/94/10/1073279410.db2.gz HEWJDUSOMQHMTA-ONUIUJJFSA-N 0 0 547.702 5.747 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409268806 1073282474 /nfs/dbraw/zinc/28/24/74/1073282474.db2.gz ATKFOFHVKHCSAR-KKMKTNMSSA-N 0 0 632.997 8.055 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409268608 1073282918 /nfs/dbraw/zinc/28/29/18/1073282918.db2.gz WNEMUCCRTDTTIO-ONUIUJJFSA-N 0 0 532.687 5.773 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409268586 1073282933 /nfs/dbraw/zinc/28/29/33/1073282933.db2.gz WEROIOMFZJJDHK-WNFQYIGGSA-N 0 0 549.457 6.014 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1C ZINC000409268334 1073284708 /nfs/dbraw/zinc/28/47/08/1073284708.db2.gz SHCFPWFNBYNGMR-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409267989 1073286181 /nfs/dbraw/zinc/28/61/81/1073286181.db2.gz YNBOWBNWPHFBLT-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409268109 1073287017 /nfs/dbraw/zinc/28/70/17/1073287017.db2.gz ZQYSGTOGHGXRNR-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409267583 1073288665 /nfs/dbraw/zinc/28/86/65/1073288665.db2.gz OGIWSGYFSBLEGW-IMRQLAEWSA-N 0 0 546.714 6.633 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)ccc1Cl ZINC000409274687 1073308238 /nfs/dbraw/zinc/30/82/38/1073308238.db2.gz FSSPTWFQDKJEAC-JAIQZWGSSA-N 0 0 580.888 5.410 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O ZINC000409273745 1073317285 /nfs/dbraw/zinc/31/72/85/1073317285.db2.gz SBIXLWIKLVGREP-UUYOSTAYSA-N 0 0 529.540 5.797 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409273874 1073317314 /nfs/dbraw/zinc/31/73/14/1073317314.db2.gz MHNMTOPUGNAOPX-VXLYETTFSA-N 0 0 519.932 5.840 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000409273278 1073334100 /nfs/dbraw/zinc/33/41/00/1073334100.db2.gz WWACBDOOEGPQPW-NSIKDUERSA-N 0 0 538.215 5.718 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 ZINC000100381195 193910954 /nfs/dbraw/zinc/91/09/54/193910954.db2.gz XRLFUJCTLVJSED-UHFFFAOYSA-N 0 0 529.065 7.274 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224528848 193964394 /nfs/dbraw/zinc/96/43/94/193964394.db2.gz NQUWUOSNRMIOKZ-IHLOFXLRSA-N 0 0 504.659 6.828 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225530750 193965525 /nfs/dbraw/zinc/96/55/25/193965525.db2.gz VQTNPJDVHHOVAE-JDXGNMNLSA-N 0 0 523.706 6.107 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409382630 195515536 /nfs/dbraw/zinc/51/55/36/195515536.db2.gz VTFQQBVDHJTGFI-UHFFFAOYSA-N 0 0 586.044 6.245 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049975 195498112 /nfs/dbraw/zinc/49/81/12/195498112.db2.gz RTXAZWDQVVRKLV-UUXYXVINSA-N 0 0 738.734 7.326 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409230438 195504211 /nfs/dbraw/zinc/50/42/11/195504211.db2.gz DFOOSNAQGZGPAE-WPWMEQJKSA-N 0 0 524.602 6.246 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409230557 195504522 /nfs/dbraw/zinc/50/45/22/195504522.db2.gz ZJJLZYMRLNBGBW-UCQKPKSFSA-N 0 0 589.522 6.824 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409231634 195507789 /nfs/dbraw/zinc/50/77/89/195507789.db2.gz DOINVCQNNDXISU-NHDPSOOVSA-N 0 0 528.403 5.671 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1 ZINC000409232018 195508728 /nfs/dbraw/zinc/50/87/28/195508728.db2.gz NKCKKICNNHOFAR-IWIPYMOSSA-N 0 0 567.530 6.743 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409381653 195512306 /nfs/dbraw/zinc/51/23/06/195512306.db2.gz VFSMBFDRHMQTPV-YUMHPJSZSA-N 0 0 522.630 5.264 40 10 KKCBRN CC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000920522 551574336 /nfs/dbraw/zinc/57/43/36/551574336.db2.gz ASVCSNZJBHUAMV-UHFFFAOYSA-N 0 0 530.625 5.878 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000002284699 551806738 /nfs/dbraw/zinc/80/67/38/551806738.db2.gz DCHCQCIAZNHBTA-SRZZPIQSSA-N 0 0 506.863 7.632 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000002301830 551808153 /nfs/dbraw/zinc/80/81/53/551808153.db2.gz MEHAGCWRUQMGBP-XDHOZWIPSA-N 0 0 534.515 6.271 40 10 KKCBRN CC(C)(C)c1cc(-c2csc(=Nc3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O ZINC000002676990 552153888 /nfs/dbraw/zinc/15/38/88/552153888.db2.gz RPVSJDKNOAWNPR-UHFFFAOYSA-O 0 0 526.553 9.043 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002701023 552159821 /nfs/dbraw/zinc/15/98/21/552159821.db2.gz OMDXCXNABAHRFN-SFQUDFHCSA-N 0 0 519.035 6.821 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002775989 552186972 /nfs/dbraw/zinc/18/69/72/552186972.db2.gz HQLBIMACKDURNZ-NFYDWNOTSA-N 0 0 584.500 5.652 40 10 KKCBRN COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000003032445 552268172 /nfs/dbraw/zinc/26/81/72/552268172.db2.gz KUHNDRJXJNWEQY-UHFFFAOYSA-N 0 0 572.278 5.969 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000003124000 552291339 /nfs/dbraw/zinc/29/13/39/552291339.db2.gz GWIKONNJVLFFQA-UNOMPAQXSA-N 0 0 503.386 5.953 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccccc1 ZINC000003669310 552410442 /nfs/dbraw/zinc/41/04/42/552410442.db2.gz MJOREXXNZNVBIC-RGEXLXHISA-N 0 0 588.299 8.309 40 10 KKCBRN CN(C)c1ccc(C(c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000004523073 552462850 /nfs/dbraw/zinc/46/28/50/552462850.db2.gz CAHLAZSEWAMHLJ-UHFFFAOYSA-N 0 0 582.836 8.311 40 10 KKCBRN O=C1C=Cc2ccccc2C1=NNc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000004577170 552468454 /nfs/dbraw/zinc/46/84/54/552468454.db2.gz HGQDGYLSFOXAFW-KTMFPKCZSA-N 0 0 514.990 8.239 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)Nc1c(C)cccc1C ZINC000006443159 552585375 /nfs/dbraw/zinc/58/53/75/552585375.db2.gz KLUZXRNELXBUTD-UHFFFAOYSA-N 0 0 516.642 6.292 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1ccccc1I ZINC000006475283 552593275 /nfs/dbraw/zinc/59/32/75/552593275.db2.gz ABYFOMSRFJISPF-IWHLBADBSA-N 0 0 542.420 7.523 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1ccccc1I ZINC000006475308 552593281 /nfs/dbraw/zinc/59/32/81/552593281.db2.gz ABYFOMSRFJISPF-LXWOLXCRSA-N 0 0 542.420 7.523 40 10 KKCBRN CCCCC1([C@H](NC(=O)c2ccccc2Cl)c2ccncc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000008652991 553107695 /nfs/dbraw/zinc/10/76/95/553107695.db2.gz GDHHNUFJLVMECU-MUUNZHRXSA-N 0 0 553.062 6.378 40 10 KKCBRN CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008685831 553114803 /nfs/dbraw/zinc/11/48/03/553114803.db2.gz KJMOHDCVJVVFRG-UHFFFAOYSA-N 0 0 516.664 5.005 40 10 aggregator KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1OC ZINC000008819430 553154008 /nfs/dbraw/zinc/15/40/08/553154008.db2.gz FADQYOYXSUSJDA-JLPGSUDCSA-N 0 0 504.633 5.138 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000008819831 553154473 /nfs/dbraw/zinc/15/44/73/553154473.db2.gz ZEJBASRXECWWDC-MEFGMAGPSA-N 0 0 514.716 6.990 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000008819858 553154494 /nfs/dbraw/zinc/15/44/94/553154494.db2.gz ZIMWNCJRADZZIU-ZHZULCJRSA-N 0 0 519.486 5.858 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2ccccc2c1 ZINC000008820006 553154958 /nfs/dbraw/zinc/15/49/58/553154958.db2.gz WGZLAYRDRBAQLN-IWIPYMOSSA-N 0 0 504.633 5.969 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000008820032 553154970 /nfs/dbraw/zinc/15/49/70/553154970.db2.gz FXNLDTGLTNHLIA-FMCGGJTJSA-N 0 0 512.697 5.262 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000008820077 553155065 /nfs/dbraw/zinc/15/50/65/553155065.db2.gz BTNBPIIGNJHHMD-ZHZULCJRSA-N 0 0 503.045 5.527 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000008820087 553155077 /nfs/dbraw/zinc/15/50/77/553155077.db2.gz RCEXWCQVFMPODJ-ULJHMMPZSA-N 0 0 518.660 6.027 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1 ZINC000008820094 553155121 /nfs/dbraw/zinc/15/51/21/553155121.db2.gz SBMUQKTWSYQRFC-NKFKGCMQSA-N 0 0 508.665 5.214 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)cc1 ZINC000008820450 553155431 /nfs/dbraw/zinc/15/54/31/553155431.db2.gz DHGTXEFTNOQPCL-UPFJJGCZSA-N 0 0 505.690 5.829 40 10 KKCBRN CC(C)Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 ZINC000008820189 553155438 /nfs/dbraw/zinc/15/54/38/553155438.db2.gz JUUIJIKKTAKULF-LGMDPLHJSA-N 0 0 509.122 5.790 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(Br)c2)C1=O ZINC000008820561 553155545 /nfs/dbraw/zinc/15/55/45/553155545.db2.gz TXGDIALTBXAWTA-SDEVTQOVSA-N 0 0 501.471 6.016 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2Br)C1=O ZINC000008820560 553155558 /nfs/dbraw/zinc/15/55/58/553155558.db2.gz AQPATGUQZASCHK-GEZYKDBCSA-N 0 0 501.471 6.016 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)C1=O ZINC000008820646 553155628 /nfs/dbraw/zinc/15/56/28/553155628.db2.gz ANVZHNHRORIMHJ-QDHUOJBDSA-N 0 0 505.690 5.829 40 10 KKCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)S2)c(OC)c1 ZINC000008821776 553156045 /nfs/dbraw/zinc/15/60/45/553156045.db2.gz ODALGFSFAGSWAA-CFRMEGHHSA-N 0 0 510.999 6.027 40 10 KKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)S2)cc1 ZINC000008821790 553156048 /nfs/dbraw/zinc/15/60/48/553156048.db2.gz RJJIPPLNZHQJPL-IMRQLAEWSA-N 0 0 521.082 7.743 40 10 KKCBRN Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008986324 553196578 /nfs/dbraw/zinc/19/65/78/553196578.db2.gz MKYBWYQXBIFCBW-BDPOZWGGSA-N 0 0 518.440 5.833 40 10 KKCBRN CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N21 ZINC000009012287 553199898 /nfs/dbraw/zinc/19/98/98/553199898.db2.gz HFUNXIVXRVSAQK-CYXNTTPDSA-N 0 0 502.397 6.324 40 10 KKCBRN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(F)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000009015660 553200398 /nfs/dbraw/zinc/20/03/98/553200398.db2.gz YCYWKAMLJMRQDE-IDZRBWSNSA-N 0 0 513.568 6.450 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000009089854 553209357 /nfs/dbraw/zinc/20/93/57/553209357.db2.gz DSUFCFZDZDHSSB-AYQJTBPPSA-N 0 0 525.604 6.320 40 10 KKCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCc5ccccc5)c(OC)c4)S3)CC2)cc1 ZINC000009188195 553218058 /nfs/dbraw/zinc/21/80/58/553218058.db2.gz PZXJJPBVWGONQO-DIBXZPPDSA-N 0 0 515.635 5.075 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000010113127 553328772 /nfs/dbraw/zinc/32/87/72/553328772.db2.gz GVNRSMOSGRFOMO-UHFFFAOYSA-N 0 0 505.684 5.114 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000010113134 553328924 /nfs/dbraw/zinc/32/89/24/553328924.db2.gz CNTUNNMTOLPLMK-UHFFFAOYSA-N 0 0 526.102 5.459 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000010113137 553328942 /nfs/dbraw/zinc/32/89/42/553328942.db2.gz LTUASHVYLCCPQN-UHFFFAOYSA-N 0 0 526.102 5.459 40 10 KKCBRN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000011867631 553348080 /nfs/dbraw/zinc/34/80/80/553348080.db2.gz XJUAUFBIRJPXFZ-PKOBYXMFSA-N 0 0 525.630 5.119 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000012411767 553363715 /nfs/dbraw/zinc/36/37/15/553363715.db2.gz PUPFZYBRXNAWID-QOCRQHEPSA-N 0 0 510.678 6.665 40 10 biogenic,in-vitro KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCC2)cc1 ZINC000012475218 553370620 /nfs/dbraw/zinc/37/06/20/553370620.db2.gz PLTKQAYPEMHOSP-PMERELPUSA-N 0 0 500.687 5.738 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCC2)cc1 ZINC000012475213 553370646 /nfs/dbraw/zinc/37/06/46/553370646.db2.gz PLTKQAYPEMHOSP-SSEXGKCCSA-N 0 0 500.687 5.738 40 10 KKCBRN Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000013649601 553480543 /nfs/dbraw/zinc/48/05/43/553480543.db2.gz DCFYVICLPRSKIH-UHFFFAOYSA-N 0 0 526.102 5.459 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013915346 553495610 /nfs/dbraw/zinc/49/56/10/553495610.db2.gz CRKSGXJZEUXXIW-PCLIKHOPSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000014277366 553510095 /nfs/dbraw/zinc/51/00/95/553510095.db2.gz OZGWQXNTVCMNQO-QPJJXVBHSA-N 0 0 502.354 5.532 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000015227591 553529306 /nfs/dbraw/zinc/52/93/06/553529306.db2.gz YYFKEOBSYDVENS-LLIKLIDUSA-N 0 0 521.671 6.757 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)SC2=S)cc1 ZINC000016292279 553558978 /nfs/dbraw/zinc/55/89/78/553558978.db2.gz OLUMOCMPHYVTHE-QRVIBDJDSA-N 0 0 511.024 6.537 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCCC3)=NC2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291752 553558996 /nfs/dbraw/zinc/55/89/96/553558996.db2.gz VNRQXCPMVQXLRW-NWDKLRFASA-N 0 0 506.671 7.096 40 10 KKCBRN CC(C)(C)c1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000016323011 553560339 /nfs/dbraw/zinc/56/03/39/553560339.db2.gz MUNKDKRQAGPSDY-UHFFFAOYSA-N 0 0 512.675 6.736 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000016678628 553571895 /nfs/dbraw/zinc/57/18/95/553571895.db2.gz PPGUGOOAHKVIID-UHFFFAOYSA-N 0 0 500.668 6.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000016689171 553573453 /nfs/dbraw/zinc/57/34/53/553573453.db2.gz JLPYDKCMIKIVQA-MYYYXRDXSA-N 0 0 510.080 7.028 40 10 KKCBRN CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000016953085 553584695 /nfs/dbraw/zinc/58/46/95/553584695.db2.gz AWGCIRNDWWXCLV-ITYLOYPMSA-N 0 0 512.569 5.332 40 10 KKCBRN Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCN([C@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364875 553613745 /nfs/dbraw/zinc/61/37/45/553613745.db2.gz KPVZZCLJGKSYAA-ROJLCIKYSA-N 0 0 574.580 5.330 40 10 KKCBRN Cc1cc(C=O)c(O)c(CN(CCN(Cc2ccco2)Cc2cc(C)cc(C=O)c2O)Cc2ccco2)c1 ZINC000019370085 553614181 /nfs/dbraw/zinc/61/41/81/553614181.db2.gz PHEVGSJYQDNGCF-UHFFFAOYSA-N 0 0 516.594 5.230 40 10 KKCBRN COc1cc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OC)c1OC ZINC000020288169 553633001 /nfs/dbraw/zinc/63/30/01/553633001.db2.gz IXUASRDOQLICFV-KQWNVCNZSA-N 0 0 500.580 5.459 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000020288831 553633647 /nfs/dbraw/zinc/63/36/47/553633647.db2.gz UGEVAZRNVBZKAO-ONUIUJJFSA-N 0 0 502.977 5.826 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(C)cc23)cc1 ZINC000020288811 553633694 /nfs/dbraw/zinc/63/36/94/553633694.db2.gz BBRSRAYAMMEZBK-DIBXZPPDSA-N 0 0 509.566 5.250 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000083293520 553676270 /nfs/dbraw/zinc/67/62/70/553676270.db2.gz CCLDBPXVFZDSPF-HYARGMPZSA-N 0 0 510.999 5.621 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000083318297 553677049 /nfs/dbraw/zinc/67/70/49/553677049.db2.gz JDGIFNCHWNLIDV-NLRVBDNBSA-N 0 0 505.530 6.017 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867504 553687959 /nfs/dbraw/zinc/68/79/59/553687959.db2.gz KBYILHOJMPSPJO-VDLXEOOJSA-N 0 0 678.954 11.182 40 10 KKCBRN O=C(Nc1cccc(-c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)s2)c1)Nc1cccc(-c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)s2)c1 ZINC000095100224 553698067 /nfs/dbraw/zinc/69/80/67/553698067.db2.gz TWYUEKZVPQGTAT-UHFFFAOYSA-N 0 0 738.806 9.435 40 10 KKCBRN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(-c2ccc(N=N[C@H](C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O ZINC000095670501 553706999 /nfs/dbraw/zinc/70/69/99/553706999.db2.gz VTGOEJALMFECDQ-ZLNBAGARSA-N 0 0 689.556 8.038 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 ZINC000022828441 553753835 /nfs/dbraw/zinc/75/38/35/553753835.db2.gz HMAZLRGFRCYQPA-UHFFFAOYSA-N 0 0 504.612 5.485 40 10 KKCBRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000001490579 561676238 /nfs/dbraw/zinc/67/62/38/561676238.db2.gz ORZROTLRYOYVPB-UHFFFAOYSA-N 0 0 567.598 5.026 40 10 KKCBRN Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000026533710 553819187 /nfs/dbraw/zinc/81/91/87/553819187.db2.gz UWWLAGMURWEMSR-ABYLYCBZSA-N 0 0 518.708 5.448 40 10 KKCBRN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2)c1 ZINC000026641945 553820109 /nfs/dbraw/zinc/82/01/09/553820109.db2.gz OVFULYNGHZNZKH-RWIUGCMHSA-N 0 0 512.591 5.129 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097958124 553851427 /nfs/dbraw/zinc/85/14/27/553851427.db2.gz OVEMGKAZENPWPD-WUAHTKIGSA-N 0 0 561.063 6.172 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000097958127 553851474 /nfs/dbraw/zinc/85/14/74/553851474.db2.gz JTJIMSIVNAWVLW-DBQMFKLFSA-N 0 0 543.443 5.335 40 10 KKCBRN COc1ccc(/C=C2\SC(N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000032598182 553869958 /nfs/dbraw/zinc/86/99/58/553869958.db2.gz BBTKELGSAVYWEI-XOFWVBSPSA-N 0 0 519.626 6.679 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCCCOc1ccccc1Cl ZINC000097961876 553881330 /nfs/dbraw/zinc/88/13/30/553881330.db2.gz SXYRRFVACFVRIX-ULJHMMPZSA-N 0 0 526.079 6.598 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000097964298 553896862 /nfs/dbraw/zinc/89/68/62/553896862.db2.gz PFYPCXSLJLNDRD-PSECHMBHSA-N 0 0 567.118 7.028 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cn(-c5ccccc5)nc4-c4ccc(Br)cc4)C3=N)S2)c1 ZINC000097964284 553896889 /nfs/dbraw/zinc/89/68/89/553896889.db2.gz LFGHGZTZQZJAEA-AQFRBSOJSA-N 0 0 597.498 6.308 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21 ZINC000097964323 553897184 /nfs/dbraw/zinc/89/71/84/553897184.db2.gz AZDNMFNZNZGMNJ-UJSNWEPXSA-N 0 0 539.583 6.415 40 10 KKCBRN COc1ccccc1OCCOc1ccc(Br)cc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000097964318 553897248 /nfs/dbraw/zinc/89/72/48/553897248.db2.gz UVBIJMARHWGKAQ-IOKCDCPZSA-N 0 0 569.359 5.097 40 10 KKCBRN N=C1/C(=C/c2ccc(Sc3cccc4ccccc43)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000097964365 553897487 /nfs/dbraw/zinc/89/74/87/553897487.db2.gz BCKSTYZZPSHRLX-NHQDZBNKSA-N 0 0 526.668 7.094 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964514 553898956 /nfs/dbraw/zinc/89/89/56/553898956.db2.gz HKJNVFIPQZQQBU-LZJUYTBLSA-N 0 0 553.713 6.747 40 10 KKCBRN N=C1/C(=C/c2cn(CCCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964799 553900973 /nfs/dbraw/zinc/90/09/73/553900973.db2.gz WNHBFVYREDILHZ-IUCHBDIMSA-N 0 0 541.036 5.826 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1CCOc1cccc(C)c1 ZINC000097964887 553901282 /nfs/dbraw/zinc/90/12/82/553901282.db2.gz FBWFIRDNORTJPL-FBYMBKKWSA-N 0 0 533.657 6.313 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097964899 553901583 /nfs/dbraw/zinc/90/15/83/553901583.db2.gz TZZOUKBSFQPJLL-BTJFKRLISA-N 0 0 577.710 6.932 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2c(I)cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097964992 553902157 /nfs/dbraw/zinc/90/21/57/553902157.db2.gz FJOHCQDFYBHBKZ-ANYBSYGZSA-N 0 0 703.664 8.118 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000097964990 553902202 /nfs/dbraw/zinc/90/22/02/553902202.db2.gz IJTGYAYOHJOSHL-QQXSKIMKSA-N 0 0 532.086 7.482 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000097972195 553966422 /nfs/dbraw/zinc/96/64/22/553966422.db2.gz IUJFPKGBQVGKRW-NHCUHLMSSA-N 0 0 603.692 8.812 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(I)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000097996144 554038361 /nfs/dbraw/zinc/03/83/61/554038361.db2.gz BWYBDYNVLBKPIF-HVNZXBJASA-N 0 0 624.430 6.338 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)c1ccc(Br)cc1 ZINC000098002636 554053689 /nfs/dbraw/zinc/05/36/89/554053689.db2.gz HHDNBQMRWHTRDF-VRUMLPLGSA-N 0 0 567.277 7.078 40 10 KKCBRN CCOC(=O)c1c(CN2CCN(c3ccccc3C)CC2)n(-c2ccccc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000098006332 554061472 /nfs/dbraw/zinc/06/14/72/554061472.db2.gz HKMHJWYIFCXJLG-UHFFFAOYSA-N 0 0 605.577 5.968 40 10 KKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100073906 554203172 /nfs/dbraw/zinc/20/31/72/554203172.db2.gz RREJGKJFZXVDIP-QUPMIFSKSA-N 0 0 600.556 9.853 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000100120876 554224349 /nfs/dbraw/zinc/22/43/49/554224349.db2.gz ZMNPSEVWJBDGSK-QHAWAJNXSA-N 0 0 525.866 5.054 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)cc1 ZINC000100127661 554224963 /nfs/dbraw/zinc/22/49/63/554224963.db2.gz BAXZIKYVNBJHQJ-OZNIXHKMSA-N 0 0 515.565 5.658 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)O2)cc1 ZINC000100135453 554226658 /nfs/dbraw/zinc/22/66/58/554226658.db2.gz ZEONHQFFKOIQQY-UDWIEESQSA-N 0 0 526.224 7.080 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000037170901 554230827 /nfs/dbraw/zinc/23/08/27/554230827.db2.gz JEBVQBFEFFPSSG-VHSZZVNMSA-N 0 0 524.886 8.133 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000100191009 554244878 /nfs/dbraw/zinc/24/48/78/554244878.db2.gz OUZSAACMNFRTCH-MKMNVTDBSA-N 0 0 568.200 6.778 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000100208228 554248271 /nfs/dbraw/zinc/24/82/71/554248271.db2.gz WFYVHBBCROXZQI-XYGWBWBKSA-N 0 0 579.422 5.873 40 10 KKCBRN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c([O-])c(C[NH+]3CCC(C(=O)OCC)(c4ccccc4)CC3)c21 ZINC000100223532 554252389 /nfs/dbraw/zinc/25/23/89/554252389.db2.gz PYVFVBNCBOALLV-UHFFFAOYSA-N 0 0 633.583 6.740 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000100241594 554260771 /nfs/dbraw/zinc/26/07/71/554260771.db2.gz OOIODYPFBIOGFU-JCMHNJIXSA-N 0 0 572.642 5.176 40 10 KKCBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cccc(OCCOc5ccc(Br)cc5)c4)C3=N)S2)cc1 ZINC000100266495 554266879 /nfs/dbraw/zinc/26/68/79/554266879.db2.gz KXWKKXRRHUAUII-VFDRKWOZSA-N 0 0 561.461 5.883 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C(C)C ZINC000100267139 554267436 /nfs/dbraw/zinc/26/74/36/554267436.db2.gz QLTLMUSBSQWBEU-NRUXYNNASA-N 0 0 599.551 6.767 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000100267073 554267499 /nfs/dbraw/zinc/26/74/99/554267499.db2.gz DWKMUPKQQHEYKY-RIXDGJCHSA-N 0 0 563.861 5.598 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100268453 554268181 /nfs/dbraw/zinc/26/81/81/554268181.db2.gz NSAQRWANASRJTB-NWOPVUGHSA-N 0 0 586.636 6.772 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000040940367 554291624 /nfs/dbraw/zinc/29/16/24/554291624.db2.gz AIWPXFSOZRWWPV-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000041074343 554292041 /nfs/dbraw/zinc/29/20/41/554292041.db2.gz WXSQHCDAZMLYRU-NMHFRFNZSA-N 0 0 509.982 5.255 40 10 KKCBRN N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000041076325 554292046 /nfs/dbraw/zinc/29/20/46/554292046.db2.gz JFMFDKQANILURC-NPEDXFRYSA-N 0 0 500.584 5.221 40 10 KKCBRN N=C1/C(=C/c2ccc(Sc3cccc4ccccc43)o2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000041076713 554292149 /nfs/dbraw/zinc/29/21/49/554292149.db2.gz MUOADNAMENOVQN-VKRJAPGXSA-N 0 0 510.600 6.282 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000041076655 554292226 /nfs/dbraw/zinc/29/22/26/554292226.db2.gz OFFNFISSWHQJGK-JOBZFMKUSA-N 0 0 521.671 6.757 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21 ZINC000041083282 554293966 /nfs/dbraw/zinc/29/39/66/554293966.db2.gz OWMSJGGPZHIPJT-WTBBOTSPSA-N 0 0 513.667 6.509 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 ZINC000041083697 554293979 /nfs/dbraw/zinc/29/39/79/554293979.db2.gz IXTDHVMNDBHVDR-ONAIEWRJSA-N 0 0 512.385 5.234 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1OC ZINC000041082576 554294002 /nfs/dbraw/zinc/29/40/02/554294002.db2.gz YAUVMNMGUNYELT-ROEOMFEBSA-N 0 0 511.962 5.046 40 10 KKCBRN COc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000041107990 554295174 /nfs/dbraw/zinc/29/51/74/554295174.db2.gz YGVJBAAEGQNZOJ-MBTLPQJVSA-N 0 0 512.591 5.129 40 10 KKCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1 ZINC000041108284 554295218 /nfs/dbraw/zinc/29/52/18/554295218.db2.gz KEXLNPYJDQRJPL-JIGGIXHTSA-N 0 0 501.524 5.170 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000100319640 554304225 /nfs/dbraw/zinc/30/42/25/554304225.db2.gz QESOJODKXKAEHF-UHFFFAOYSA-N 0 0 572.067 7.148 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100323396 554307179 /nfs/dbraw/zinc/30/71/79/554307179.db2.gz KTWOIKJBSPMSHH-FYJGNVAPSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000100323514 554307230 /nfs/dbraw/zinc/30/72/30/554307230.db2.gz PPRVGWAODBQRRR-KGENOOAVSA-N 0 0 559.450 6.285 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100323623 554307532 /nfs/dbraw/zinc/30/75/32/554307532.db2.gz SFWMNTPUBLCUGS-JJFYIABZSA-N 0 0 595.367 7.745 40 10 KKCBRN c1coc(-c2nnc(SCCSc3nnc(-c4ccco4)c(-c4ccco4)n3)nc2-c2ccco2)c1 ZINC000100326728 554310340 /nfs/dbraw/zinc/31/03/40/554310340.db2.gz IDMYSMXRSYWVNK-UHFFFAOYSA-N 0 0 516.564 5.981 40 10 KKCBRN COc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000100332869 554315414 /nfs/dbraw/zinc/31/54/14/554315414.db2.gz ITZYMLGZURDLRM-MGBGTMOVSA-N 0 0 552.719 6.004 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100339058 554323797 /nfs/dbraw/zinc/32/37/97/554323797.db2.gz UKARQGFKGJCZCO-DHRITJCHSA-N 0 0 614.945 8.388 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000100345865 554330399 /nfs/dbraw/zinc/33/03/99/554330399.db2.gz CBGUSAXXYRWNFX-MGKTVMJVSA-N 0 0 532.684 8.468 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000100368894 554354952 /nfs/dbraw/zinc/35/49/52/554354952.db2.gz HNCWOQBIZVAHGA-KEBDBYFISA-N 0 0 553.901 8.112 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369505 554355567 /nfs/dbraw/zinc/35/55/67/554355567.db2.gz BWRUJAUJVSWWSY-XKZIYDEJSA-N 0 0 556.090 6.562 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000100369805 554355869 /nfs/dbraw/zinc/35/58/69/554355869.db2.gz HNULYJLQRMKJOE-HMAPJEAMSA-N 0 0 537.644 5.609 40 10 KKCBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000100379196 554361704 /nfs/dbraw/zinc/36/17/04/554361704.db2.gz PUDWMVKYZAWIIC-UHFFFAOYSA-N 0 0 533.610 5.775 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c(Br)c4)ccc3o2)cc1 ZINC000100380428 554362404 /nfs/dbraw/zinc/36/24/04/554362404.db2.gz MLEREWVVPDTLSZ-UHFFFAOYSA-N 0 0 553.482 6.239 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058846795 554366443 /nfs/dbraw/zinc/36/64/43/554366443.db2.gz BZURGKICVRDYTO-ISCCLHIJSA-N 0 0 513.490 7.744 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000058846791 554366493 /nfs/dbraw/zinc/36/64/93/554366493.db2.gz WVDMUCXNZTUFGS-CLCZQPDDSA-N 0 0 523.496 7.200 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846817 554366527 /nfs/dbraw/zinc/36/65/27/554366527.db2.gz NYHNZLSZPXQIDV-IRYADYCUSA-N 0 0 504.652 6.455 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847226 554366670 /nfs/dbraw/zinc/36/66/70/554366670.db2.gz QEOFCVIZIUSVEK-SRGWNRLKSA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847525 554366685 /nfs/dbraw/zinc/36/66/85/554366685.db2.gz KXGUHQXNEKDBLS-GLDPYIMESA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847399 554366830 /nfs/dbraw/zinc/36/68/30/554366830.db2.gz AEHQZRYBOCVFQE-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847857 554367357 /nfs/dbraw/zinc/36/73/57/554367357.db2.gz MGQXLOUIJCRLMB-SGIRGMQISA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847937 554367436 /nfs/dbraw/zinc/36/74/36/554367436.db2.gz SJBGRDLFQKMCPO-ASHZAFPQSA-N 0 0 511.043 6.293 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058848181 554367736 /nfs/dbraw/zinc/36/77/36/554367736.db2.gz OIUNTQGVIDFOAM-VYKTZEHYSA-N 0 0 509.071 7.063 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)cc1 ZINC000058848645 554368026 /nfs/dbraw/zinc/36/80/26/554368026.db2.gz CKDUYWRLOHRTBC-XXAUWVGASA-N 0 0 506.624 5.730 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848400 554368047 /nfs/dbraw/zinc/36/80/47/554368047.db2.gz WGECJIUVIBTUOS-YZUZCNPQSA-N 0 0 515.513 6.241 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000058848456 554368060 /nfs/dbraw/zinc/36/80/60/554368060.db2.gz UAWQKDWFZLNTOL-DFIYOIEZSA-N 0 0 511.987 5.884 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1 ZINC000058848672 554368238 /nfs/dbraw/zinc/36/82/38/554368238.db2.gz XKSJKTJHFKCHCH-OREGWCPLSA-N 0 0 521.595 5.629 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058850005 554369419 /nfs/dbraw/zinc/36/94/19/554369419.db2.gz HFJAEWKRLGDGQI-UZINWLIJSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850287 554369669 /nfs/dbraw/zinc/36/96/69/554369669.db2.gz SQUIQUKBFIEPEX-DFIYOIEZSA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850089 554369721 /nfs/dbraw/zinc/36/97/21/554369721.db2.gz WRCHPJXCSNGGJD-BBANNHEPSA-N 0 0 512.631 6.484 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000058856255 554370007 /nfs/dbraw/zinc/37/00/07/554370007.db2.gz LDBODAYOPNQZPF-UHFFFAOYSA-N 0 0 502.317 5.080 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000100410318 554374984 /nfs/dbraw/zinc/37/49/84/554374984.db2.gz JIAIGSSUIRNKIS-UDWIEESQSA-N 0 0 579.310 7.336 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000100414452 554378930 /nfs/dbraw/zinc/37/89/30/554378930.db2.gz LEAFKDDUVRBFCD-KWXIBIRDSA-N 0 0 578.418 5.811 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000100414878 554379990 /nfs/dbraw/zinc/37/99/90/554379990.db2.gz PNMCHUFEKRJOPX-SBHAEUEKSA-N 0 0 526.759 5.342 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N(C)C1=S ZINC000059139439 554383088 /nfs/dbraw/zinc/38/30/88/554383088.db2.gz YPJXRVGZDNQSEE-UHFFFAOYSA-N 0 0 504.222 5.478 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139110 554383082 /nfs/dbraw/zinc/38/30/82/554383082.db2.gz NSPQHGXBECXPPN-JJIBRWJFSA-N 0 0 507.502 6.055 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)NC1=S ZINC000059182274 554383888 /nfs/dbraw/zinc/38/38/88/554383888.db2.gz WJPRPTOPAUIULX-HYARGMPZSA-N 0 0 506.609 5.640 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1C1CCCCC1 ZINC000059418187 554393850 /nfs/dbraw/zinc/39/38/50/554393850.db2.gz FWNHJNCLRUDZPB-FYJGNVAPSA-N 0 0 506.462 6.701 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059418236 554393864 /nfs/dbraw/zinc/39/38/64/554393864.db2.gz DUHQYOPRNBYZKA-OEAKJJBVSA-N 0 0 510.568 6.117 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000059484877 554397799 /nfs/dbraw/zinc/39/77/99/554397799.db2.gz NODRQPDKMIAYSL-JJIBRWJFSA-N 0 0 511.375 6.494 40 10 KKCBRN CCCCC1(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000059498134 554399267 /nfs/dbraw/zinc/39/92/67/554399267.db2.gz JVESJCXXQSEURP-UHFFFAOYSA-N 0 0 531.656 6.454 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100478090 554401547 /nfs/dbraw/zinc/40/15/47/554401547.db2.gz XYAKFBOJFQDXRE-NLRVBDNBSA-N 0 0 509.949 6.662 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Cl)c3)SC2=S)cc1 ZINC000059609000 554411855 /nfs/dbraw/zinc/41/18/55/554411855.db2.gz XODOVIVNGNURFF-QRVIBDJDSA-N 0 0 591.923 7.233 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)cc2Br)cc1 ZINC000059609128 554412162 /nfs/dbraw/zinc/41/21/62/554412162.db2.gz INUJGIOXDDNYES-OYKKKHCWSA-N 0 0 524.505 7.046 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100554898 554415980 /nfs/dbraw/zinc/41/59/80/554415980.db2.gz QNNHHZLAJDEGDH-JMIUGGIZSA-N 0 0 547.492 6.720 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)C2=O)ccc1O ZINC000059690717 554424642 /nfs/dbraw/zinc/42/46/42/554424642.db2.gz KLZKWOHCZQNLES-MTJSOVHGSA-N 0 0 560.484 5.926 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100634989 554435513 /nfs/dbraw/zinc/43/55/13/554435513.db2.gz OVBFUOZKUTWIPE-QHAWAJNXSA-N 0 0 525.866 5.054 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCOCC2)=NC1=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 ZINC000100662092 554439361 /nfs/dbraw/zinc/43/93/61/554439361.db2.gz ILAASGRYKOGXTA-YUYYFGHPSA-N 0 0 530.596 5.994 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059888378 554471145 /nfs/dbraw/zinc/47/11/45/554471145.db2.gz LLWBXWHNARALPV-UHFFFAOYSA-N 0 0 541.673 5.053 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000100844378 554490901 /nfs/dbraw/zinc/49/09/01/554490901.db2.gz FTFMZFQWRPMLLD-NHDPSOOVSA-N 0 0 548.564 5.726 40 10 KKCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000100921473 554521523 /nfs/dbraw/zinc/52/15/23/554521523.db2.gz CXFSNFDFMJCRKU-DIBXZPPDSA-N 0 0 534.081 6.110 40 10 KKCBRN COc1ccc(-n2[n-]c(C)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2=O)cc1 ZINC000100962711 554542662 /nfs/dbraw/zinc/54/26/62/554542662.db2.gz ORJWKQPPXFXTGT-MZJWZYIUSA-N 0 0 552.631 5.029 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)C3=O)o2)cc1Cl ZINC000100964546 554542955 /nfs/dbraw/zinc/54/29/55/554542955.db2.gz NWFODLZLJUWZRY-VCHYOVAHSA-N 0 0 525.951 5.229 40 10 KKCBRN CN(C1=NC(=O)/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)S1)c1ccc(O)cc1 ZINC000100972287 554544230 /nfs/dbraw/zinc/54/42/30/554544230.db2.gz MXCKSZZLIZIHCB-SBCAZUFSSA-N 0 0 530.653 6.855 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000101002063 554552476 /nfs/dbraw/zinc/55/24/76/554552476.db2.gz JFMAIIKUHFBYTK-CXUHLZMHSA-N 0 0 516.269 5.986 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)sc2c1CCCC2 ZINC000101001374 554552547 /nfs/dbraw/zinc/55/25/47/554552547.db2.gz XJJVRQKHQKLGNP-MFOYZWKCSA-N 0 0 555.530 5.950 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000101002129 554552675 /nfs/dbraw/zinc/55/26/75/554552675.db2.gz ADWQGVGPWROWAV-OQKWZONESA-N 0 0 529.525 5.522 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101002600 554553108 /nfs/dbraw/zinc/55/31/08/554553108.db2.gz HXAOVJBOMPZLFZ-NDENLUEZSA-N 0 0 530.096 5.626 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101003403 554553364 /nfs/dbraw/zinc/55/33/64/554553364.db2.gz PPJBEEQTINZESN-LPYMAVHISA-N 0 0 527.067 6.900 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1OC ZINC000101005444 554553748 /nfs/dbraw/zinc/55/37/48/554553748.db2.gz PEHZXFUSMGWPAG-JAIQZWGSSA-N 0 0 546.095 5.244 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1OC ZINC000101005687 554553785 /nfs/dbraw/zinc/55/37/85/554553785.db2.gz QPETZMZJPQPFLP-STZFKDTASA-N 0 0 525.677 5.447 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(I)c1 ZINC000101006296 554554214 /nfs/dbraw/zinc/55/42/14/554554214.db2.gz WTPNLLILBPYGCG-RGEXLXHISA-N 0 0 536.460 5.692 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1OC ZINC000101006803 554554398 /nfs/dbraw/zinc/55/43/98/554554398.db2.gz TTWDVLCLAFBYPM-NHDPSOOVSA-N 0 0 539.506 6.411 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1OC ZINC000101006952 554554560 /nfs/dbraw/zinc/55/45/60/554554560.db2.gz GOYZZNNTEVMZSX-PKAZHMFMSA-N 0 0 611.210 7.948 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000101006983 554554787 /nfs/dbraw/zinc/55/47/87/554554787.db2.gz RSPFUFTWDLJCPQ-JAIQZWGSSA-N 0 0 523.463 6.122 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000101006985 554554818 /nfs/dbraw/zinc/55/48/18/554554818.db2.gz FGLQGLBOLVGUBW-UKWGHVSLSA-N 0 0 557.908 6.776 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000101007112 554554953 /nfs/dbraw/zinc/55/49/53/554554953.db2.gz SXNURSYJUWMTGB-JAIQZWGSSA-N 0 0 537.490 6.180 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000101007166 554554956 /nfs/dbraw/zinc/55/49/56/554554956.db2.gz XYFLABUVYJSBBG-ULJHMMPZSA-N 0 0 579.769 6.229 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)sc2c1CCCC2 ZINC000101007172 554555214 /nfs/dbraw/zinc/55/52/14/554555214.db2.gz NQJCEKWHJWYNSD-XLNRJJMWSA-N 0 0 600.784 5.991 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(I)c1 ZINC000101007264 554555217 /nfs/dbraw/zinc/55/52/17/554555217.db2.gz FJIQMLRXDGVLEP-UYRXBGFRSA-N 0 0 570.905 6.345 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(I)cc1 ZINC000101007267 554555260 /nfs/dbraw/zinc/55/52/60/554555260.db2.gz ZMLSUXTWQKWLOI-RGEXLXHISA-N 0 0 570.905 6.345 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(I)c2)C1=O ZINC000101007774 554555702 /nfs/dbraw/zinc/55/57/02/554555702.db2.gz KUWGRTNXIDWYDR-SDEVTQOVSA-N 0 0 548.471 5.858 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)C1=O ZINC000101007798 554555908 /nfs/dbraw/zinc/55/59/08/554555908.db2.gz NIGOWUOVCMTOJD-LCUSYGQGSA-N 0 0 587.714 7.319 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000101013310 554558689 /nfs/dbraw/zinc/55/86/89/554558689.db2.gz XXIHCXUCWUWILO-ONUIUJJFSA-N 0 0 538.044 5.859 40 10 KKCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000101013332 554558702 /nfs/dbraw/zinc/55/87/02/554558702.db2.gz ISQJCHYOHKLATG-IMRQLAEWSA-N 0 0 552.071 6.249 40 10 KKCBRN CC[C@H](C)NC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)N[C@@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000101016994 554560631 /nfs/dbraw/zinc/56/06/31/554560631.db2.gz ZLZYTIPJJZSBFV-ZLVSMDRDSA-N 0 0 612.824 5.384 40 10 KKCBRN CCCOC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCCC)cc4)C3=O)SC2=S)cc1 ZINC000101016976 554560656 /nfs/dbraw/zinc/56/06/56/554560656.db2.gz PPFNQGVURVYIGY-FMQUCBEESA-N 0 0 586.738 5.461 40 10 KKCBRN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C3\SC(=S)N(NC(=O)c4ccc(C(C)(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101016959 554560687 /nfs/dbraw/zinc/56/06/87/554560687.db2.gz YPCHGZLSXWOYTN-FMQUCBEESA-N 0 0 612.824 5.204 40 10 KKCBRN CC[C@@H](C)NC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)N[C@H](C)CC)c4)C3=O)SC2=S)c1 ZINC000101017033 554560853 /nfs/dbraw/zinc/56/08/53/554560853.db2.gz NLBNAVJNLSKWMM-RRLOWTIWSA-N 0 0 612.824 5.384 40 10 KKCBRN CC(C)(C)NC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)NC(C)(C)C)c4)C3=O)SC2=S)c1 ZINC000101017038 554560860 /nfs/dbraw/zinc/56/08/60/554560860.db2.gz GGVPZYDNLJYQIA-FMQUCBEESA-N 0 0 612.824 5.384 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000101035952 554565553 /nfs/dbraw/zinc/56/55/53/554565553.db2.gz GPHLMYVYHZYCOH-NDENLUEZSA-N 0 0 518.538 5.717 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000101076050 554577507 /nfs/dbraw/zinc/57/75/07/554577507.db2.gz UAJVMCLXWSULPS-KMDXXIMOSA-N 0 0 544.401 5.268 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000101092695 554583074 /nfs/dbraw/zinc/58/30/74/554583074.db2.gz BHEOWBWDVLMDJY-MPFGFTFXSA-N 0 0 560.447 6.765 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000101093451 554583530 /nfs/dbraw/zinc/58/35/30/554583530.db2.gz JHGNAGRVQXZUBB-UHFFFAOYSA-N 0 0 593.661 5.470 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)NC3CCCCC3)cc2Br)SC1=S ZINC000101550044 554796472 /nfs/dbraw/zinc/79/64/72/554796472.db2.gz LALQJYKIIYIIHS-NDENLUEZSA-N 0 0 541.533 5.287 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101598149 554803716 /nfs/dbraw/zinc/80/37/16/554803716.db2.gz CYBDKNHOKUZTCL-ILJQZKEFSA-N 0 0 584.584 5.836 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000101901149 554847398 /nfs/dbraw/zinc/84/73/98/554847398.db2.gz MZIGKIGNTLXAOD-SXRVXPCKSA-N 0 0 560.938 7.531 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4cccc5ccccc54)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102129850 554884671 /nfs/dbraw/zinc/88/46/71/554884671.db2.gz YSKOHYCONRRBGS-VMCUCKNMSA-N 0 0 603.744 5.597 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102129837 554884722 /nfs/dbraw/zinc/88/47/22/554884722.db2.gz WCGMKTNSCOPKIV-VMCUCKNMSA-N 0 0 603.744 5.597 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102547063 554959722 /nfs/dbraw/zinc/95/97/22/554959722.db2.gz MZCSMJUIGDVSSF-PLJDCMBSSA-N 0 0 597.711 7.219 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102552274 554962434 /nfs/dbraw/zinc/96/24/34/554962434.db2.gz TZUZXEGHFRCAHN-JGBIIJINSA-N 0 0 592.651 6.568 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102556136 554964655 /nfs/dbraw/zinc/96/46/55/554964655.db2.gz LNGOJRBOVGDPMW-ULNSLHSMSA-N 0 0 582.077 6.735 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102562821 554968700 /nfs/dbraw/zinc/96/87/00/554968700.db2.gz LHPFYTCUCVSCOV-TWJOJJKGSA-N 0 0 564.003 7.407 40 10 KKCBRN Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c2ccccc21 ZINC000102761118 555052433 /nfs/dbraw/zinc/05/24/33/555052433.db2.gz NMJFVKAZFLRRCS-QCRXEWDHSA-N 0 0 524.650 5.020 40 10 KKCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000102773507 555062277 /nfs/dbraw/zinc/06/22/77/555062277.db2.gz WVHVEYIKLDUFNG-WXGDAXOSSA-N 0 0 596.691 7.533 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(C)cc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102869530 555099204 /nfs/dbraw/zinc/09/92/04/555099204.db2.gz SECIOMRKCOQFBK-YKILCQELSA-N 0 0 574.076 7.363 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102887661 555119822 /nfs/dbraw/zinc/11/98/22/555119822.db2.gz FILWQPBIHZZSNB-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN CCCc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332892 555360110 /nfs/dbraw/zinc/36/01/10/555360110.db2.gz LGZVEMJNEFQJAH-CBTPHDETSA-N 0 0 548.683 6.236 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103524852 555427876 /nfs/dbraw/zinc/42/78/76/555427876.db2.gz VVSGPPFNYKCHIX-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103539668 555437698 /nfs/dbraw/zinc/43/76/98/555437698.db2.gz LDBNYVGOHLMBLS-AYQJTBPPSA-N 0 0 590.075 6.982 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103544593 555440131 /nfs/dbraw/zinc/44/01/31/555440131.db2.gz BWBPVSURGHCPLB-ULNSLHSMSA-N 0 0 566.078 7.117 40 10 KKCBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000103545654 555440469 /nfs/dbraw/zinc/44/04/69/555440469.db2.gz XRSTWELRHFXRQE-JCYYIGJDSA-N 0 0 576.996 5.809 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103546865 555441040 /nfs/dbraw/zinc/44/10/40/555441040.db2.gz AKPWKQQWCCUHAQ-NGDRWEMDSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103548926 555442398 /nfs/dbraw/zinc/44/23/98/555442398.db2.gz XENQWZGEJNHLGN-IDZRBWSNSA-N 0 0 556.574 5.920 40 10 KKCBRN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000103558893 555447567 /nfs/dbraw/zinc/44/75/67/555447567.db2.gz DXQNGJOYHHKREW-SSBOKUKZSA-N 0 0 526.548 5.911 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103560322 555448605 /nfs/dbraw/zinc/44/86/05/555448605.db2.gz GQPTZBISIPQPAV-MJSOWUPRSA-N 0 0 586.600 5.928 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000103593328 555452945 /nfs/dbraw/zinc/45/29/45/555452945.db2.gz YKVVUVGJBNKEHA-ODUHAEHHSA-N 0 0 516.671 5.239 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000103593481 555452983 /nfs/dbraw/zinc/45/29/83/555452983.db2.gz BZNQWJMUZHDUQF-VBQUMQFVSA-N 0 0 545.068 5.365 40 10 KKCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc([N+](=O)[O-])ccc3Cl)C2=N)S1 ZINC000103604613 555454685 /nfs/dbraw/zinc/45/46/85/555454685.db2.gz QOJVYENEPWPMEY-KRKDOYDSSA-N 0 0 520.958 5.045 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCC ZINC000103759046 555470776 /nfs/dbraw/zinc/47/07/76/555470776.db2.gz ZXLACCYUBJTXLX-UHFFFAOYSA-N 0 0 610.448 6.289 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000103760396 555471091 /nfs/dbraw/zinc/47/10/91/555471091.db2.gz FGCGKZDUBPUBIX-UHFFFAOYSA-N 0 0 579.516 6.612 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1OCc1ccccc1F ZINC000103785734 555477418 /nfs/dbraw/zinc/47/74/18/555477418.db2.gz WDXWBXFAHSERRC-DICXZTSXSA-N 0 0 544.985 7.582 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789997 555479607 /nfs/dbraw/zinc/47/96/07/555479607.db2.gz JGNAKTBJYPWSFF-PYCBVSLESA-N 0 0 553.728 5.638 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790001 555479616 /nfs/dbraw/zinc/47/96/16/555479616.db2.gz JGNAKTBJYPWSFF-JLHDDXNDSA-N 0 0 553.728 5.638 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791235 555480848 /nfs/dbraw/zinc/48/08/48/555480848.db2.gz GGRCHEBIKLCQJD-UQDCTOEPSA-N 0 0 572.528 5.156 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000103791617 555481019 /nfs/dbraw/zinc/48/10/19/555481019.db2.gz DFQSOCHUFCAQLN-QUNTYYFUSA-N 0 0 572.130 6.580 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000103827337 555483406 /nfs/dbraw/zinc/48/34/06/555483406.db2.gz DCWLGGSWWGTLRR-SJXDCSIJSA-N 0 0 620.171 5.657 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855002 571365883 /nfs/dbraw/zinc/36/58/83/571365883.db2.gz XKAWPMPUDHPFBB-JYUHDHNASA-N 0 0 599.690 8.703 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103854995 571365899 /nfs/dbraw/zinc/36/58/99/571365899.db2.gz LVIOLEZBCGDBIX-XYGWBWBKSA-N 0 0 544.438 7.293 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000103855242 571365990 /nfs/dbraw/zinc/36/59/90/571365990.db2.gz UASTWBTZMDASHG-JJIBRWJFSA-N 0 0 544.438 7.293 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855384 571366004 /nfs/dbraw/zinc/36/60/04/571366004.db2.gz PWGXCLGTCNHITL-ULJHMMPZSA-N 0 0 541.401 6.909 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855556 571366058 /nfs/dbraw/zinc/36/60/58/571366058.db2.gz WCXMSGNCALEOPO-XQNSMLJCSA-N 0 0 527.920 6.400 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000103855326 571366065 /nfs/dbraw/zinc/36/60/65/571366065.db2.gz VWPPUUZVEKFRER-ZTKZIYFRSA-N 0 0 547.611 6.163 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856135 571366129 /nfs/dbraw/zinc/36/61/29/571366129.db2.gz CVLBJXKXTMVPIW-UHFFFAOYSA-N 0 0 593.124 5.696 40 10 KKCBRN CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(C)C1=S ZINC000103855815 571366161 /nfs/dbraw/zinc/36/61/61/571366161.db2.gz XOUVZSUXHRZYTC-UHFFFAOYSA-N 0 0 522.586 5.318 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000103863450 571367859 /nfs/dbraw/zinc/36/78/59/571367859.db2.gz ONEXEZCEOIYYQD-PLNPHXOGSA-N 0 0 624.162 6.005 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000103868252 571368109 /nfs/dbraw/zinc/36/81/09/571368109.db2.gz BTPCOJPNWKJPRC-TURZUDJPSA-N 0 0 622.816 6.989 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000103897770 571368861 /nfs/dbraw/zinc/36/88/61/571368861.db2.gz KWKSEUXHOQYMIH-GOHWNWGWSA-N 0 0 568.895 7.693 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000103921808 571369845 /nfs/dbraw/zinc/36/98/45/571369845.db2.gz DKWMZFQITRYROG-SXBRIOAWSA-N 0 0 558.707 7.142 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000103922762 571369979 /nfs/dbraw/zinc/36/99/79/571369979.db2.gz GTKNKFVJBBRXPQ-IWIPYMOSSA-N 0 0 535.025 6.113 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=NNc3ccccc3Cl)C(=O)N(c3ccc(Br)cc3)C2=S)cc1 ZINC000104204572 571376876 /nfs/dbraw/zinc/37/68/76/571376876.db2.gz VTXWFPZTURPBJI-DQSJHHFOSA-N 0 0 557.857 7.293 40 10 KKCBRN COc1ccc(NN=C2C(=O)N(c3ccc(Br)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000104204583 571376893 /nfs/dbraw/zinc/37/68/93/571376893.db2.gz QSZRTMPUFJZNHU-RQZHXJHFSA-N 0 0 539.411 6.258 40 10 KKCBRN COc1ccccc1NN=c1c2nc3ccccc3nc1n(-c1ccccc1C)c(=S)n2-c1ccccn1 ZINC000104236020 571377680 /nfs/dbraw/zinc/37/76/80/571377680.db2.gz CGGWFNMQLZOTJV-YHZPTAEISA-N 0 0 517.618 7.119 40 10 KKCBRN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000104421610 571381016 /nfs/dbraw/zinc/38/10/16/571381016.db2.gz MDEUMOYZCDPAAQ-XDCSYDRFSA-N 0 0 561.657 7.764 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000104660297 571384992 /nfs/dbraw/zinc/38/49/92/571384992.db2.gz NXUJCFQVUULQBT-UHFFFAOYSA-N 0 0 570.661 6.588 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1C ZINC000104646059 571381808 /nfs/dbraw/zinc/38/18/08/571381808.db2.gz HBHNFHBIKCDRSC-AARCXHMLSA-N 0 0 581.694 7.418 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646003 571381826 /nfs/dbraw/zinc/38/18/26/571381826.db2.gz BZDRKSHGZYHGBM-CUMRGQLISA-N 0 0 553.478 6.422 40 10 KKCBRN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646462 571381954 /nfs/dbraw/zinc/38/19/54/571381954.db2.gz UHZXJSACZIHQOF-RVFQGNMQSA-N 0 0 543.414 5.944 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646313 571381962 /nfs/dbraw/zinc/38/19/62/571381962.db2.gz NTVPIUDHOVFICC-PVTPYKNESA-N 0 0 523.614 6.889 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104646124 571381979 /nfs/dbraw/zinc/38/19/79/571381979.db2.gz OCCARKZDASDEMO-AARCXHMLSA-N 0 0 581.694 7.418 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646633 571381981 /nfs/dbraw/zinc/38/19/81/571381981.db2.gz PSLPOKLJGPNILD-GNBJCERTSA-N 0 0 527.042 5.993 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646961 571382042 /nfs/dbraw/zinc/38/20/42/571382042.db2.gz ZHQIISJVDXLHHH-HOOSLVGPSA-N 0 0 516.406 6.529 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646885 571382076 /nfs/dbraw/zinc/38/20/76/571382076.db2.gz XBFXTLSCAXBQHP-DXMSMQRWSA-N 0 0 550.851 7.182 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647140 571382101 /nfs/dbraw/zinc/38/21/01/571382101.db2.gz UXXCFAYPQOAENU-XLNZFTOWSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647064 571382104 /nfs/dbraw/zinc/38/21/04/571382104.db2.gz YDXKYIHLGXYFSW-SRGWNRLKSA-N 0 0 540.299 7.928 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104647420 571382192 /nfs/dbraw/zinc/38/21/92/571382192.db2.gz DIGJISBIXCIJDD-UZINWLIJSA-N 0 0 531.461 6.638 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1Cl ZINC000104647980 571382312 /nfs/dbraw/zinc/38/23/12/571382312.db2.gz YSWDZDHNWBMOAP-YUXUKGBOSA-N 0 0 602.112 7.763 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647963 571382357 /nfs/dbraw/zinc/38/23/57/571382357.db2.gz XQAYHAMSTHKVCC-OUDXUNEISA-N 0 0 526.014 6.193 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648107 571382543 /nfs/dbraw/zinc/38/25/43/571382543.db2.gz IMZXVSYNONJRGX-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648698 571382611 /nfs/dbraw/zinc/38/26/11/571382611.db2.gz LMKFDWLLRBATRC-SRGWNRLKSA-N 0 0 549.958 6.894 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648509 571382629 /nfs/dbraw/zinc/38/26/29/571382629.db2.gz PRLZSXUPNJWZCH-ATLLOTDBSA-N 0 0 593.421 6.824 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648593 571382636 /nfs/dbraw/zinc/38/26/36/571382636.db2.gz ZGOCOBVRSRPVMH-SRGWNRLKSA-N 0 0 584.403 7.548 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648414 571382646 /nfs/dbraw/zinc/38/26/46/571382646.db2.gz LTGKWDLIOBKELL-YZUZCNPQSA-N 0 0 549.412 7.095 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648716 571382652 /nfs/dbraw/zinc/38/26/52/571382652.db2.gz RFPQBUNPPOBAIZ-SRGWNRLKSA-N 0 0 572.958 8.005 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104648513 571382678 /nfs/dbraw/zinc/38/26/78/571382678.db2.gz SXLULKHHOODNOS-WTNLLYQRSA-N 0 0 621.637 7.820 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104649289 571382763 /nfs/dbraw/zinc/38/27/63/571382763.db2.gz CLHDCFTZELBNLU-XKVZAPNPSA-N 0 0 554.668 7.123 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649140 571382785 /nfs/dbraw/zinc/38/27/85/571382785.db2.gz BCDXQQADISXSPZ-VKIDHGPPSA-N 0 0 555.494 6.484 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649273 571382825 /nfs/dbraw/zinc/38/28/25/571382825.db2.gz WKQTXYFKVIPUNP-WTNLLYQRSA-N 0 0 524.642 7.115 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c(OC)c1 ZINC000104649502 571382909 /nfs/dbraw/zinc/38/29/09/571382909.db2.gz OZESETNQQMZCRF-VKIDHGPPSA-N 0 0 571.493 6.102 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649385 571382914 /nfs/dbraw/zinc/38/29/14/571382914.db2.gz HLHMBMJLRNAXEB-BHZGVWCHSA-N 0 0 582.722 7.904 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1OC ZINC000104649667 571382922 /nfs/dbraw/zinc/38/29/22/571382922.db2.gz UESGIXNZCUUDGI-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104649378 571382989 /nfs/dbraw/zinc/38/29/89/571382989.db2.gz MIYPYTDOUHHQFT-ADRXYBOHSA-N 0 0 569.639 7.023 40 10 KKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(OCc5ccc([N+](=O)[O-])cc5)cc3)N4)sc2c1 ZINC000104650940 571383272 /nfs/dbraw/zinc/38/32/72/571383272.db2.gz XNKKHHRHTHLTOW-CUJVHAHTSA-N 0 0 545.664 8.585 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650489 571383297 /nfs/dbraw/zinc/38/32/97/571383297.db2.gz RZHOUVMCAJWQIU-RHGYRFJNSA-N 0 0 533.850 6.869 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650411 571383299 /nfs/dbraw/zinc/38/32/99/571383299.db2.gz WGJSQRSENSHESG-DXMSMQRWSA-N 0 0 523.844 7.413 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1OC ZINC000104650586 571383319 /nfs/dbraw/zinc/38/33/19/571383319.db2.gz CJKZNTQQBFVEND-ANSQWYIGSA-N 0 0 541.467 6.094 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000104656287 571383896 /nfs/dbraw/zinc/38/38/96/571383896.db2.gz QGISCUDPEFNDOV-BIWBSIMWSA-N 0 0 621.398 5.910 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000104660623 571384980 /nfs/dbraw/zinc/38/49/80/571384980.db2.gz WVRZOXZRRCNAKV-UHFFFAOYSA-N 0 0 591.079 6.851 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000104660680 571384994 /nfs/dbraw/zinc/38/49/94/571384994.db2.gz KCYQPBWOCRRAJD-UHFFFAOYSA-N 0 0 522.189 5.544 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000104660355 571385014 /nfs/dbraw/zinc/38/50/14/571385014.db2.gz LDNIVDKMWSNICH-UHFFFAOYSA-N 0 0 536.216 5.934 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000104660290 571385016 /nfs/dbraw/zinc/38/50/16/571385016.db2.gz BYJUADZUUYWDGR-UHFFFAOYSA-N 0 0 605.106 7.241 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000104677112 571385308 /nfs/dbraw/zinc/38/53/08/571385308.db2.gz RJQDGCCZNKPWCS-WOSHRIRTSA-N 0 0 612.752 6.018 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105497112 571405344 /nfs/dbraw/zinc/40/53/44/571405344.db2.gz ZTZIHHSWJOTZNB-ZSXMQSLNSA-N 0 0 633.770 5.890 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000105629907 571407957 /nfs/dbraw/zinc/40/79/57/571407957.db2.gz MGDRFYPNAQZMNX-QKDODKLFSA-N 0 0 594.417 5.937 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000222899352 571411211 /nfs/dbraw/zinc/41/12/11/571411211.db2.gz AFRXZABRGVTCBO-DEOSSOPVSA-N 0 0 519.711 5.751 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106684406 571413607 /nfs/dbraw/zinc/41/36/07/571413607.db2.gz WDUQSLTUGCMTAW-QFEZKATASA-N 0 0 537.041 6.492 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106684494 571413608 /nfs/dbraw/zinc/41/36/08/571413608.db2.gz ADNQRCGKDGCUOX-PKAZHMFMSA-N 0 0 505.083 8.032 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106684716 571413651 /nfs/dbraw/zinc/41/36/51/571413651.db2.gz WUZQMQPHNAGACX-YUMHPJSZSA-N 0 0 576.099 8.043 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106684959 571413684 /nfs/dbraw/zinc/41/36/84/571413684.db2.gz BERUNFGYZHHKND-QQXSKIMKSA-N 0 0 516.623 6.229 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000106696419 571414218 /nfs/dbraw/zinc/41/42/18/571414218.db2.gz UFFAEBNOXQPSOO-XYGWBWBKSA-N 0 0 506.599 6.427 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106699960 571414383 /nfs/dbraw/zinc/41/43/83/571414383.db2.gz MMBLECFZJJQWDI-UUYOSTAYSA-N 0 0 529.887 7.363 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106700403 571414492 /nfs/dbraw/zinc/41/44/92/571414492.db2.gz WQWWGWXJYVAZMM-QFEZKATASA-N 0 0 537.041 6.492 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106717763 571415621 /nfs/dbraw/zinc/41/56/21/571415621.db2.gz JXEYXAJKCQJOAB-MXAYSNPKSA-N 0 0 621.384 7.237 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000106724354 571416089 /nfs/dbraw/zinc/41/60/89/571416089.db2.gz MFZAWAKOSZDCKF-MTJSOVHGSA-N 0 0 546.284 6.856 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106740905 571417302 /nfs/dbraw/zinc/41/73/02/571417302.db2.gz YHKFEBGSGOKHHQ-NKVSQWTQSA-N 0 0 509.817 7.430 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000107510860 571420137 /nfs/dbraw/zinc/42/01/37/571420137.db2.gz SQSWNIAPZWGKOM-UCQKPKSFSA-N 0 0 524.539 6.307 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000107722338 571420903 /nfs/dbraw/zinc/42/09/03/571420903.db2.gz KWVITAUJXKJYSW-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000107865757 571421414 /nfs/dbraw/zinc/42/14/14/571421414.db2.gz SZHOIQKBLFLKSG-RETVGHBNSA-N 0 0 518.352 5.029 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000108351976 571423446 /nfs/dbraw/zinc/42/34/46/571423446.db2.gz ILKAZKUAQJBEQG-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223098158 571430741 /nfs/dbraw/zinc/43/07/41/571430741.db2.gz QQIIJNAPDRSJSD-JWQCQUIFSA-N 0 0 509.517 6.557 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100577 571431176 /nfs/dbraw/zinc/43/11/76/571431176.db2.gz LUHXYSDNVMKBDE-VMPREFPWSA-N 0 0 501.744 6.641 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000110445330 571431283 /nfs/dbraw/zinc/43/12/83/571431283.db2.gz DVXKCZPVOXHYIZ-UHFFFAOYSA-N 0 0 569.082 7.066 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c([N+](=O)[O-])c1 ZINC000223103242 571431557 /nfs/dbraw/zinc/43/15/57/571431557.db2.gz RRDDPQYBFKWJMK-FTJBHMTQSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c([N+](=O)[O-])c1 ZINC000223103367 571431560 /nfs/dbraw/zinc/43/15/60/571431560.db2.gz RRDDPQYBFKWJMK-UIOOFZCWSA-N 0 0 505.644 5.711 40 10 KKCBRN Cc1c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000111505525 571433483 /nfs/dbraw/zinc/43/34/83/571433483.db2.gz WEXNKRWIMVQSDG-CFRMEGHHSA-N 0 0 524.835 7.051 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000111671463 571433485 /nfs/dbraw/zinc/43/34/85/571433485.db2.gz WTIASJIRNDCUOC-AFUMVMLFSA-N 0 0 547.442 6.145 40 10 KKCBRN O=C(Nc1ccc(S[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000112244964 571435601 /nfs/dbraw/zinc/43/56/01/571435601.db2.gz KJTUKWROWJJLEQ-PMJOTMIOSA-N 0 0 575.477 8.085 40 10 KKCBRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000113623891 571441235 /nfs/dbraw/zinc/44/12/35/571441235.db2.gz XLSHQSNCJLQNBK-UHFFFAOYSA-N 0 0 532.493 5.490 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000113625359 571441399 /nfs/dbraw/zinc/44/13/99/571441399.db2.gz BIRPHNKKIOYRDO-UHFFFAOYSA-N 0 0 574.146 6.574 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830807 571442438 /nfs/dbraw/zinc/44/24/38/571442438.db2.gz VWTZDUHMHQJTST-LSHDLFTRSA-N 0 0 570.441 8.006 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2O)SC(=S)N1C1CCCCC1 ZINC000113830432 571442442 /nfs/dbraw/zinc/44/24/42/571442442.db2.gz TXRKGYMTPZFGIL-NTUHNPAUSA-N 0 0 571.243 5.135 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113833812 571442592 /nfs/dbraw/zinc/44/25/92/571442592.db2.gz IGXIOULYWIFPFN-AFUMVMLFSA-N 0 0 577.481 7.495 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113834035 571442596 /nfs/dbraw/zinc/44/25/96/571442596.db2.gz KXAMVJHQOFCZTR-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833514 571442674 /nfs/dbraw/zinc/44/26/74/571442674.db2.gz QFMPPLJEWFPJCE-ZVHZXABRSA-N 0 0 546.497 7.386 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000113836454 571442794 /nfs/dbraw/zinc/44/27/94/571442794.db2.gz KFDGWNBQVMKOOQ-RGVLZGJSSA-N 0 0 544.218 6.736 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113838422 571442857 /nfs/dbraw/zinc/44/28/57/571442857.db2.gz WVCKCUCDPUXKMB-KEBDBYFISA-N 0 0 504.420 6.715 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189882 571442933 /nfs/dbraw/zinc/44/29/33/571442933.db2.gz NXQNEAFZPARPCH-SVBPBHIXSA-N 0 0 524.134 5.146 40 10 KKCBRN CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000138886161 571452419 /nfs/dbraw/zinc/45/24/19/571452419.db2.gz DRQBQVLXSWMMGZ-UHFFFAOYSA-N 0 0 526.589 6.322 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000142851912 571456042 /nfs/dbraw/zinc/45/60/42/571456042.db2.gz DFNCDNWMKGAXGF-UXCHMGEPSA-N 0 0 521.686 5.174 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000144219935 571456311 /nfs/dbraw/zinc/45/63/11/571456311.db2.gz UZUZARPZWSQJMQ-IWIPYMOSSA-N 0 0 512.547 6.431 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000144202163 571456364 /nfs/dbraw/zinc/45/63/64/571456364.db2.gz QYAJXMVMFOUXSX-PKAZHMFMSA-N 0 0 559.485 7.677 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223296178 571456765 /nfs/dbraw/zinc/45/67/65/571456765.db2.gz GJYCMRTZEGGRDN-NKKJXINNSA-N 0 0 500.590 5.659 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223296041 571456787 /nfs/dbraw/zinc/45/67/87/571456787.db2.gz GJYCMRTZEGGRDN-TUACAJSNSA-N 0 0 500.590 5.659 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000223309994 571458964 /nfs/dbraw/zinc/45/89/64/571458964.db2.gz LQTIHAIMVIIDEN-ZTCOLXNVSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000223310146 571458973 /nfs/dbraw/zinc/45/89/73/571458973.db2.gz YCSWMEASNRMIPW-TUACAJSNSA-N 0 0 511.489 5.403 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000150372040 571465983 /nfs/dbraw/zinc/46/59/83/571465983.db2.gz WGSIYEHQAISYFR-KEBDBYFISA-N 0 0 647.307 8.354 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000223365040 571466090 /nfs/dbraw/zinc/46/60/90/571466090.db2.gz YZDRAIRZXIENRX-HSZRJFAPSA-N 0 0 519.711 5.436 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)C1=C(Nc1ccccc1-c1ccccc1NC(=C1C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150373572 571466110 /nfs/dbraw/zinc/46/61/10/571466110.db2.gz XELRSFDCAPKMTQ-SHLALKERSA-N 0 0 736.970 11.447 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000150374525 571466220 /nfs/dbraw/zinc/46/62/20/571466220.db2.gz RQGUQYRCZFMVOV-ZMOGYAJESA-N 0 0 629.370 8.489 40 10 KKCBRN CCOc1cccc2c1N(C(=O)c1ccc(I)cc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000150386530 571469308 /nfs/dbraw/zinc/46/93/08/571469308.db2.gz VRWRSLYKJXJXFR-UHFFFAOYSA-N 0 0 681.595 6.205 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387980 571469743 /nfs/dbraw/zinc/46/97/43/571469743.db2.gz SXUROBZEZXPAMO-XZWHSSHBSA-N 0 0 509.723 6.508 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223390530 571470177 /nfs/dbraw/zinc/47/01/77/571470177.db2.gz LZQLYROPTGOLMI-SVBPBHIXSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391669 571470334 /nfs/dbraw/zinc/47/03/34/571470334.db2.gz ZSZHLKOQXNLAMT-KAYWLYCHSA-N 0 0 513.623 5.579 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)SC1=S)c1ccccc1 ZINC000150388628 571470955 /nfs/dbraw/zinc/47/09/55/571470955.db2.gz ITVNEHHWOSNMSC-RGVLZGJSSA-N 0 0 767.235 7.328 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223409938 571472604 /nfs/dbraw/zinc/47/26/04/571472604.db2.gz LYRQKHRXZWDFCF-SVBPBHIXSA-N 0 0 536.623 6.689 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223421025 571474092 /nfs/dbraw/zinc/47/40/92/571474092.db2.gz IJWCHPRHNUZILO-SVBPBHIXSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223421915 571474187 /nfs/dbraw/zinc/47/41/87/571474187.db2.gz FWFZKUNACUTYDC-KAYWLYCHSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223424637 571474670 /nfs/dbraw/zinc/47/46/70/571474670.db2.gz OJMCCLRMKNLXMU-KAYWLYCHSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223425957 571474769 /nfs/dbraw/zinc/47/47/69/571474769.db2.gz RLICEDWDADUCSQ-NSOVKSMOSA-N 0 0 512.635 5.399 40 10 KKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5ccc(C)cc5/N=N/c5ccc(C)cc5)cc4C3=O)cc2)cc1 ZINC000150397340 571476906 /nfs/dbraw/zinc/47/69/06/571476906.db2.gz CIEIQNBHRDQWLM-RYZURTRPSA-N 0 0 725.809 11.056 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)c1 ZINC000223444522 571477596 /nfs/dbraw/zinc/47/75/96/571477596.db2.gz QTKUBTJTEWFZQE-IZLXSDGUSA-N 0 0 526.662 5.457 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000150400032 571477756 /nfs/dbraw/zinc/47/77/56/571477756.db2.gz QMPQKOWZHKNTPB-KOEQRZSOSA-N 0 0 646.481 7.134 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000150400022 571477842 /nfs/dbraw/zinc/47/78/42/571477842.db2.gz QKOJSTBCHPXZLQ-KOEQRZSOSA-N 0 0 646.481 7.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223458869 571479685 /nfs/dbraw/zinc/47/96/85/571479685.db2.gz AUFQKOCNAKKQQA-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Br)cc1 ZINC000223461742 571480229 /nfs/dbraw/zinc/48/02/29/571480229.db2.gz VDXOIHPGVQFVCZ-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224126884 571481506 /nfs/dbraw/zinc/48/15/06/571481506.db2.gz PDZBXFLVLLLCGC-ACDUXZRSSA-N 0 0 620.266 8.955 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224127387 571481669 /nfs/dbraw/zinc/48/16/69/571481669.db2.gz RTSZBRAPTQPOIG-OBIKLVFUSA-N 0 0 570.206 7.802 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224128982 571482189 /nfs/dbraw/zinc/48/21/89/571482189.db2.gz FBJFEZBNKXIRET-CKUCSLQLSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224130494 571482465 /nfs/dbraw/zinc/48/24/65/571482465.db2.gz IUKPIKVTZYFSDC-OTWWGAIPSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224132615 571483025 /nfs/dbraw/zinc/48/30/25/571483025.db2.gz KHEHUXLAUQWOJY-REDDFQDCSA-N 0 0 613.275 7.868 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224133119 571483159 /nfs/dbraw/zinc/48/31/59/571483159.db2.gz JBXLZHOAKOBGNJ-MIJNXXRQSA-N 0 0 639.096 9.109 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224134746 571483440 /nfs/dbraw/zinc/48/34/40/571483440.db2.gz VJVGAIGCLLECQZ-BXYJHVRESA-N 0 0 645.229 7.719 40 10 KKCBRN O=C(Nc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000150411052 571483486 /nfs/dbraw/zinc/48/34/86/571483486.db2.gz ZQSFVJVZCKLACV-MWOVFPFUSA-N 0 0 688.704 10.183 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135389 571483581 /nfs/dbraw/zinc/48/35/81/571483581.db2.gz NIPLOHOYPJETKD-YWCASELZSA-N 0 0 634.677 8.464 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150419661 571487087 /nfs/dbraw/zinc/48/70/87/571487087.db2.gz VLIKRIRSLDHMOA-ODLFYWEKSA-N 0 0 705.288 7.161 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Br)c1 ZINC000223497563 571487089 /nfs/dbraw/zinc/48/70/89/571487089.db2.gz QLKAQTMMHFYVOT-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500140 571487600 /nfs/dbraw/zinc/48/76/00/571487600.db2.gz WCKHFVMSBVOGTK-VMPREFPWSA-N 0 0 510.711 5.903 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150422152 571488006 /nfs/dbraw/zinc/48/80/06/571488006.db2.gz MZPGWWXPAOFLCW-VUTHCHCSSA-N 0 0 742.997 8.967 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000224166893 571489660 /nfs/dbraw/zinc/48/96/60/571489660.db2.gz LIZLHFFXZONJTP-RPBOFIJWSA-N 0 0 503.469 6.429 40 10 KKCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000150430110 571493117 /nfs/dbraw/zinc/49/31/17/571493117.db2.gz VRUOTQMZWUUGEK-DIPNUNPCSA-N 0 0 713.905 5.056 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224192506 571493895 /nfs/dbraw/zinc/49/38/95/571493895.db2.gz DWSSEMQXSMSNNE-UIOOFZCWSA-N 0 0 506.597 6.993 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 ZINC000150436303 571495999 /nfs/dbraw/zinc/49/59/99/571495999.db2.gz VUCOQJYKQBCNRV-GJHDBBOXSA-N 0 0 705.736 5.547 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 ZINC000150436308 571496164 /nfs/dbraw/zinc/49/61/64/571496164.db2.gz TZXPGJFCACNUED-GAHATOAQSA-N 0 0 748.805 5.137 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000150437556 571496863 /nfs/dbraw/zinc/49/68/63/571496863.db2.gz JPKSYFZVIYCKLI-MKMNVTDBSA-N 0 0 613.667 5.964 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Br ZINC000223536811 571497215 /nfs/dbraw/zinc/49/72/15/571497215.db2.gz NKUKURMMWZLHLR-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S)Nc1ccc(Cl)cc1 ZINC000150439761 571497672 /nfs/dbraw/zinc/49/76/72/571497672.db2.gz HCEHNTFAZKXWSF-FMQUCBEESA-N 0 0 625.606 5.283 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223542995 571498363 /nfs/dbraw/zinc/49/83/63/571498363.db2.gz DIMSUNJKWITUOU-CLJLJLNGSA-N 0 0 504.059 5.719 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000150444683 571499677 /nfs/dbraw/zinc/49/96/77/571499677.db2.gz LQDZXFIBRZXSBG-FMQUCBEESA-N 0 0 694.496 6.590 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000150444780 571499885 /nfs/dbraw/zinc/49/98/85/571499885.db2.gz BEIWEWRDBYZKCR-OCEACIFDSA-N 0 0 819.890 7.378 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)SC1=S)N1CCCc2ccccc21 ZINC000150449575 571502009 /nfs/dbraw/zinc/50/20/09/571502009.db2.gz QSUMULRYRIGXEB-BYYHNAKLSA-N 0 0 664.900 5.438 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000150449606 571502196 /nfs/dbraw/zinc/50/21/96/571502196.db2.gz WPUPWZKBOWMLCK-HEFFKOSUSA-N 0 0 853.176 10.698 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224236089 571503506 /nfs/dbraw/zinc/50/35/06/571503506.db2.gz PBVWNLWXRABMAW-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224236272 571503660 /nfs/dbraw/zinc/50/36/60/571503660.db2.gz WQBAHWQHGVRJSS-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224238342 571504026 /nfs/dbraw/zinc/50/40/26/571504026.db2.gz AJIOHEAPURXVLQ-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237892 571504035 /nfs/dbraw/zinc/50/40/35/571504035.db2.gz RIXCDTIQKCMKGN-IHLOFXLRSA-N 0 0 509.723 6.821 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150456124 571504490 /nfs/dbraw/zinc/50/44/90/571504490.db2.gz WIBSAVOAKNIMQE-LZYBPNLTSA-N 0 0 619.198 6.513 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240708 571504561 /nfs/dbraw/zinc/50/45/61/571504561.db2.gz XTUZKSAGBVVMOG-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000150455941 571504633 /nfs/dbraw/zinc/50/46/33/571504633.db2.gz ZUZHJFXVRBLZKK-UHFFFAOYSA-N 0 0 665.573 5.958 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000150459969 571505881 /nfs/dbraw/zinc/50/58/81/571505881.db2.gz IAMVLKVUULJWKL-HEFFKOSUSA-N 0 0 922.066 12.005 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586248 571508143 /nfs/dbraw/zinc/50/81/43/571508143.db2.gz SLKUUSNECQPCBI-FQOPDIHJSA-N 0 0 505.684 6.399 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000150469694 571508749 /nfs/dbraw/zinc/50/87/49/571508749.db2.gz OBIXXOUQNZXCOJ-JEIPZWNWSA-N 0 0 736.966 8.090 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000150469720 571508769 /nfs/dbraw/zinc/50/87/69/571508769.db2.gz OOBRORQPJBDPLK-JEIPZWNWSA-N 0 0 749.062 6.442 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1O ZINC000150469648 571508820 /nfs/dbraw/zinc/50/88/20/571508820.db2.gz QWUDSVPIBRNWJK-QURGRASLSA-N 0 0 685.658 5.474 40 10 KKCBRN COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3OC)C2=O)SC1=S ZINC000150469901 571508973 /nfs/dbraw/zinc/50/89/73/571508973.db2.gz UOMHYZSMZRALTB-BYYHNAKLSA-N 0 0 700.930 6.334 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C4\SC(=S)N(CCCCCC(=O)Nc5ncc(Cc6ccc(C)cc6)s5)C4=O)SC3=S)s2)cc1 ZINC000150470166 571509162 /nfs/dbraw/zinc/50/91/62/571509162.db2.gz LDVCZTPCJVTOMB-JEIPZWNWSA-N 0 0 863.216 9.028 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224271019 571510643 /nfs/dbraw/zinc/51/06/43/571510643.db2.gz QHVDZSIIOCCBNR-SXOMAYOGSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224272464 571511007 /nfs/dbraw/zinc/51/10/07/571511007.db2.gz YXNLIEXJFANJOT-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000150481038 571512305 /nfs/dbraw/zinc/51/23/05/571512305.db2.gz PVCVUAVIFLJXMJ-RDRPBHBLSA-N 0 0 681.970 8.735 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000150481108 571512411 /nfs/dbraw/zinc/51/24/11/571512411.db2.gz AYISHBXLGSTUPB-MTDXEUNCSA-N 0 0 681.970 8.735 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224286403 571513605 /nfs/dbraw/zinc/51/36/05/571513605.db2.gz LMQXDOPFGUYRRI-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223615851 571514524 /nfs/dbraw/zinc/51/45/24/571514524.db2.gz QICJNHVSHCSLGL-WTZXFZKGSA-N 0 0 509.647 6.310 40 10 KKCBRN O=C1c2ccccc2C(=O)C12[C@H](c1ccc(Cl)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Cl)cc1 ZINC000150484898 571515374 /nfs/dbraw/zinc/51/53/74/571515374.db2.gz WRKGKFFSFJDRLJ-ACHIHNKUSA-N 0 0 628.511 8.222 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224299795 571516906 /nfs/dbraw/zinc/51/69/06/571516906.db2.gz GOGIECUJPCSQHY-SVBPBHIXSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224302257 571517436 /nfs/dbraw/zinc/51/74/36/571517436.db2.gz KPXQRECWBOYMIO-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224302383 571517479 /nfs/dbraw/zinc/51/74/79/571517479.db2.gz KPXQRECWBOYMIO-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224306774 571518515 /nfs/dbraw/zinc/51/85/15/571518515.db2.gz GMAMEZPHUCLKQW-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307557 571518720 /nfs/dbraw/zinc/51/87/20/571518720.db2.gz MQCXRMAPVKHBPL-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000150523105 571520323 /nfs/dbraw/zinc/52/03/23/571520323.db2.gz MLQYTDITDTWQTP-QQXSKIMKSA-N 0 0 675.377 7.462 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223656133 571521504 /nfs/dbraw/zinc/52/15/04/571521504.db2.gz GVXRRHIRTHUOET-XZOQPEGZSA-N 0 0 503.455 5.332 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224321357 571521513 /nfs/dbraw/zinc/52/15/13/571521513.db2.gz CWYFRIXNHXFQIO-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223656020 571521574 /nfs/dbraw/zinc/52/15/74/571521574.db2.gz GVXRRHIRTHUOET-GOTSBHOMSA-N 0 0 503.455 5.332 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000224326504 571522423 /nfs/dbraw/zinc/52/24/23/571522423.db2.gz JCEMHSTUEWODJH-SVBPBHIXSA-N 0 0 503.115 7.106 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000224338335 571525456 /nfs/dbraw/zinc/52/54/56/571525456.db2.gz OVMVWTWRSXSVNM-JSOSNVBQSA-N 0 0 523.750 7.075 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000224341159 571525995 /nfs/dbraw/zinc/52/59/95/571525995.db2.gz UJRJIDOCRKUQTQ-NSOVKSMOSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000224340973 571526001 /nfs/dbraw/zinc/52/60/01/571526001.db2.gz YXBXKUAVXRHRNO-NSOVKSMOSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000224353787 571528708 /nfs/dbraw/zinc/52/87/08/571528708.db2.gz NUTRWONLEJIJKT-NSOVKSMOSA-N 0 0 510.663 6.015 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223712153 571531181 /nfs/dbraw/zinc/53/11/81/571531181.db2.gz ZHOSRILYXRPUOH-ZEQRLZLVSA-N 0 0 516.589 5.434 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000224367677 571531275 /nfs/dbraw/zinc/53/12/75/571531275.db2.gz GBDQZJGKSJEZRQ-WUFINQPMSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224368395 571531331 /nfs/dbraw/zinc/53/13/31/571531331.db2.gz QNCLVQVNZUQRDR-VSGBNLITSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224368035 571531385 /nfs/dbraw/zinc/53/13/85/571531385.db2.gz FRHDSFGZFMZAKJ-IZLXSDGUSA-N 0 0 501.099 7.443 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370406 571531730 /nfs/dbraw/zinc/53/17/30/571531730.db2.gz ILNSABGQPKBIKI-ZWXJPIIXSA-N 0 0 537.777 7.636 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370486 571531955 /nfs/dbraw/zinc/53/19/55/571531955.db2.gz ILNSABGQPKBIKI-ACHIHNKUSA-N 0 0 537.777 7.636 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224372407 571532270 /nfs/dbraw/zinc/53/22/70/571532270.db2.gz CNKOCFUUYJQPEF-FQLXRVMXSA-N 0 0 541.677 6.706 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373158 571532569 /nfs/dbraw/zinc/53/25/69/571532569.db2.gz QYRTZUJQXFFYGO-FQLXRVMXSA-N 0 0 541.677 6.706 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223721656 571532626 /nfs/dbraw/zinc/53/26/26/571532626.db2.gz ZNNJHDOEGCVLDB-BJKOFHAPSA-N 0 0 516.589 5.434 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223725997 571533473 /nfs/dbraw/zinc/53/34/73/571533473.db2.gz QZCROOIEYWWYJX-ZEQRLZLVSA-N 0 0 517.482 5.722 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000163232773 571533775 /nfs/dbraw/zinc/53/37/75/571533775.db2.gz FKFTVGHLUMOBFR-NBQDTTAVSA-N 0 0 637.559 6.397 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000163232661 571533853 /nfs/dbraw/zinc/53/38/53/571533853.db2.gz FOOAHFIIHPNKCZ-HNGYDKBBSA-N 0 0 668.660 8.156 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000223728297 571533913 /nfs/dbraw/zinc/53/39/13/571533913.db2.gz DPIZFUDHJFXUQU-DQEYMECFSA-N 0 0 513.063 5.077 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000224381307 571534365 /nfs/dbraw/zinc/53/43/65/571534365.db2.gz FOUQWSWJSBXLHR-NDEPHWFRSA-N 0 0 508.087 5.890 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1 ZINC000224385567 571535325 /nfs/dbraw/zinc/53/53/25/571535325.db2.gz NRGYGGWRHPIBQJ-FQLXRVMXSA-N 0 0 524.690 6.576 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1OCc1ccccc1F ZINC000163312070 571535351 /nfs/dbraw/zinc/53/53/51/571535351.db2.gz HFSNCDAVQZEMCD-UHFFFAOYSA-N 0 0 648.206 5.758 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(COc2ccc(I)cc2I)c1 ZINC000163310523 571535380 /nfs/dbraw/zinc/53/53/80/571535380.db2.gz GRMXZMNJLSUQSB-UHFFFAOYSA-N 0 0 630.216 5.619 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224386051 571535469 /nfs/dbraw/zinc/53/54/69/571535469.db2.gz AIUOVNZIARGSAA-URLMMPGGSA-N 0 0 524.690 6.576 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223753434 571538366 /nfs/dbraw/zinc/53/83/66/571538366.db2.gz YZFXRAMYISEYEC-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223765520 571540519 /nfs/dbraw/zinc/54/05/19/571540519.db2.gz RCNPFXPDZWVDGS-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163713166 571541248 /nfs/dbraw/zinc/54/12/48/571541248.db2.gz RZDGKVOBJJLWSE-BIWBSIMWSA-N 0 0 669.610 5.532 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163718476 571541661 /nfs/dbraw/zinc/54/16/61/571541661.db2.gz UGACZUNTAQTDOO-UPWSPCOFSA-N 0 0 738.573 5.244 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224417429 571541929 /nfs/dbraw/zinc/54/19/29/571541929.db2.gz DYGRVUHCNJKNDS-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224421462 571542717 /nfs/dbraw/zinc/54/27/17/571542717.db2.gz SUFGLSVIOLQKJZ-DQEYMECFSA-N 0 0 510.560 6.824 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223781288 571543243 /nfs/dbraw/zinc/54/32/43/571543243.db2.gz YBSLRWVVCFBSAV-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223781645 571543277 /nfs/dbraw/zinc/54/32/77/571543277.db2.gz ZQZJEKPAPIQSGB-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223786481 571543974 /nfs/dbraw/zinc/54/39/74/571543974.db2.gz GFWMEWWVNVNITA-IOWSJCHKSA-N 0 0 553.732 5.902 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000224433640 571544924 /nfs/dbraw/zinc/54/49/24/571544924.db2.gz HPLPOJDFFMIIKF-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000224433960 571545052 /nfs/dbraw/zinc/54/50/52/571545052.db2.gz RQAQSBILOQVAJU-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223794243 571545096 /nfs/dbraw/zinc/54/50/96/571545096.db2.gz FPQZZDBLBRCOCK-CONSDPRKSA-N 0 0 518.686 7.218 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223794296 571545100 /nfs/dbraw/zinc/54/51/00/571545100.db2.gz FPQZZDBLBRCOCK-JSOSNVBQSA-N 0 0 518.686 7.218 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223797355 571545674 /nfs/dbraw/zinc/54/56/74/571545674.db2.gz NOKUBPMYAHMZKQ-SXOMAYOGSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223797540 571545732 /nfs/dbraw/zinc/54/57/32/571545732.db2.gz OXGPMKPXUNLTIH-SVBPBHIXSA-N 0 0 503.071 6.718 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1 ZINC000224450517 571548984 /nfs/dbraw/zinc/54/89/84/571548984.db2.gz CKZMBMAYYPWVFE-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224451004 571549002 /nfs/dbraw/zinc/54/90/02/571549002.db2.gz ZSIOHOAFKLTPDI-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164544610 571549840 /nfs/dbraw/zinc/54/98/40/571549840.db2.gz LQGGOVDZJGPYBR-PLNPHXOGSA-N 0 0 715.613 5.956 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000164802285 571551125 /nfs/dbraw/zinc/55/11/25/571551125.db2.gz RXBQTLJETXOLFV-UHFFFAOYSA-N 0 0 641.587 7.710 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000164791296 571551138 /nfs/dbraw/zinc/55/11/38/571551138.db2.gz YSOWDJNFHQJPJF-UHFFFAOYSA-N 0 0 639.546 7.935 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164814603 571551259 /nfs/dbraw/zinc/55/12/59/571551259.db2.gz YUCKFIXEVDUDBD-UHFFFAOYSA-N 0 0 692.937 7.732 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164811207 571551264 /nfs/dbraw/zinc/55/12/64/571551264.db2.gz SCSFYELBMMETFO-UHFFFAOYSA-N 0 0 662.005 8.055 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164814735 571551312 /nfs/dbraw/zinc/55/13/12/571551312.db2.gz KVESESFVZFEQDT-UHFFFAOYSA-N 0 0 664.883 7.116 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224462228 571551602 /nfs/dbraw/zinc/55/16/02/571551602.db2.gz NZXYQYKCSMENAO-URLMMPGGSA-N 0 0 509.078 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br ZINC000224465091 571552102 /nfs/dbraw/zinc/55/21/02/571552102.db2.gz ROEMHPCIXYBGIW-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br ZINC000224464961 571552103 /nfs/dbraw/zinc/55/21/03/571552103.db2.gz ROEMHPCIXYBGIW-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224468947 571553107 /nfs/dbraw/zinc/55/31/07/571553107.db2.gz ODKMPZAQJWJQJN-XCZPVHLTSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469886 571553357 /nfs/dbraw/zinc/55/33/57/571553357.db2.gz DWJPWJCTBWMLLD-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469967 571553363 /nfs/dbraw/zinc/55/33/63/571553363.db2.gz DWJPWJCTBWMLLD-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470112 571553373 /nfs/dbraw/zinc/55/33/73/571553373.db2.gz DIEOTKWIONABRQ-FTJBHMTQSA-N 0 0 534.041 6.236 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470363 571553462 /nfs/dbraw/zinc/55/34/62/571553462.db2.gz PTMTVFMCYCMAPU-XCZPVHLTSA-N 0 0 501.099 7.190 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000169680818 571556962 /nfs/dbraw/zinc/55/69/62/571556962.db2.gz PNMCHUFEKRJOPX-SFHLNBCPSA-N 0 0 526.759 5.342 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000224486234 571557476 /nfs/dbraw/zinc/55/74/76/571557476.db2.gz WHTHMBIODHWUPK-JWQCQUIFSA-N 0 0 553.957 7.306 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000169684222 571558338 /nfs/dbraw/zinc/55/83/38/571558338.db2.gz JVIKEENCFNEITG-UBFVSLLYSA-N 0 0 507.929 5.188 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000169711480 571559087 /nfs/dbraw/zinc/55/90/87/571559087.db2.gz REMNUTUTHCRYID-NJDAHSKKSA-N 0 0 526.759 5.342 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000224493794 571559621 /nfs/dbraw/zinc/55/96/21/571559621.db2.gz VHGNKVJSLDWWSQ-LOSJGSFVSA-N 0 0 503.469 6.429 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000223840424 571559721 /nfs/dbraw/zinc/55/97/21/571559721.db2.gz MVCDUAKMUTUQCT-VSGBNLITSA-N 0 0 526.662 5.852 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224494781 571559841 /nfs/dbraw/zinc/55/98/41/571559841.db2.gz YTLSWDWZMIZAKT-RRPNLBNLSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224494535 571559906 /nfs/dbraw/zinc/55/99/06/571559906.db2.gz HWDSARYMPYVDFH-RPBOFIJWSA-N 0 0 571.466 7.448 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224496205 571560159 /nfs/dbraw/zinc/56/01/59/571560159.db2.gz NEFKAGGROHLRPZ-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Br ZINC000224496404 571560242 /nfs/dbraw/zinc/56/02/42/571560242.db2.gz ZSHYSJQVSNYVLZ-DQEYMECFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1C ZINC000224499139 571560978 /nfs/dbraw/zinc/56/09/78/571560978.db2.gz OLZLONYJVAXRQG-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224498800 571561015 /nfs/dbraw/zinc/56/10/15/571561015.db2.gz IJFCFLYLUVBGRR-LOSJGSFVSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cccc1C ZINC000224499660 571561087 /nfs/dbraw/zinc/56/10/87/571561087.db2.gz XBLROHXKWNSXEH-AHKZPQOWSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224499779 571561245 /nfs/dbraw/zinc/56/12/45/571561245.db2.gz ABYGESZIKAPAHT-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224500409 571561298 /nfs/dbraw/zinc/56/12/98/571561298.db2.gz ONLBIOXZAZPZMX-FTJBHMTQSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224502500 571561826 /nfs/dbraw/zinc/56/18/26/571561826.db2.gz LLADRDRZSMVPIX-JWQCQUIFSA-N 0 0 518.484 6.132 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502300 571561829 /nfs/dbraw/zinc/56/18/29/571561829.db2.gz VVNQABQGNKQQLQ-IXCJQBJRSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223858905 571563014 /nfs/dbraw/zinc/56/30/14/571563014.db2.gz OTKDQCZKAYBDMP-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864689 571564045 /nfs/dbraw/zinc/56/40/45/571564045.db2.gz VPIMVCODNVOXJS-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000197745279 571564358 /nfs/dbraw/zinc/56/43/58/571564358.db2.gz GFDAJIHXEPMCHB-ZIRCPPMYSA-N 0 0 570.556 5.927 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224520541 571565300 /nfs/dbraw/zinc/56/53/00/571565300.db2.gz MGMFJRKRJWOLOC-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223889016 571568759 /nfs/dbraw/zinc/56/87/59/571568759.db2.gz LTGKNLFGLXDUDW-UHFFFAOYSA-N 0 0 534.509 5.660 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223889966 571568936 /nfs/dbraw/zinc/56/89/36/571568936.db2.gz VXLMGIMARZTRFR-RRPNLBNLSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223894583 571569769 /nfs/dbraw/zinc/56/97/69/571569769.db2.gz WTRZYWMFVVTBHU-SVBPBHIXSA-N 0 0 535.639 6.751 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000223895937 571570030 /nfs/dbraw/zinc/57/00/30/571570030.db2.gz ZDFQSPJNFNOIJG-SXOMAYOGSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000223896665 571570166 /nfs/dbraw/zinc/57/01/66/571570166.db2.gz MJJUFQNGPPPMRS-SXOMAYOGSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223897203 571570300 /nfs/dbraw/zinc/57/03/00/571570300.db2.gz CUXHSASXWKQSDS-RRPNLBNLSA-N 0 0 546.538 6.495 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899262 571570762 /nfs/dbraw/zinc/57/07/62/571570762.db2.gz CGOHTPZQYXPRLP-IOWSJCHKSA-N 0 0 538.765 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223899614 571570803 /nfs/dbraw/zinc/57/08/03/571570803.db2.gz TZVHXNBEDJMABN-KAYWLYCHSA-N 0 0 536.532 7.039 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899203 571570865 /nfs/dbraw/zinc/57/08/65/571570865.db2.gz CGOHTPZQYXPRLP-JSOSNVBQSA-N 0 0 538.765 6.578 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223900819 571570952 /nfs/dbraw/zinc/57/09/52/571570952.db2.gz CWWXKIPMUKTDIO-IZLXSDGUSA-N 0 0 511.651 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223901154 571571167 /nfs/dbraw/zinc/57/11/67/571571167.db2.gz ACTHEIMSCJQVJZ-JDXGNMNLSA-N 0 0 509.723 6.658 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000205781128 571571199 /nfs/dbraw/zinc/57/11/99/571571199.db2.gz WLRHXDVIIYOFAS-FOKLQQMPSA-N 0 0 551.492 6.407 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224551674 571572637 /nfs/dbraw/zinc/57/26/37/571572637.db2.gz BUGNJSZRCKZKIN-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224551720 571572871 /nfs/dbraw/zinc/57/28/71/571572871.db2.gz BUGNJSZRCKZKIN-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000206906049 571573055 /nfs/dbraw/zinc/57/30/55/571573055.db2.gz SUYVUPXWEWBSLD-LPYMAVHISA-N 0 0 545.469 6.127 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000206885764 571573071 /nfs/dbraw/zinc/57/30/71/571573071.db2.gz FVGHQGFBPQQGRQ-YDZHTSKRSA-N 0 0 559.496 6.517 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000206911744 571573072 /nfs/dbraw/zinc/57/30/72/571573072.db2.gz IHKRQRZBERINKP-SRZZPIQSSA-N 0 0 549.888 6.772 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21 ZINC000208253643 571573559 /nfs/dbraw/zinc/57/35/59/571573559.db2.gz KMJKWADWVJLKKN-LKEIMFIWSA-N 0 0 519.892 7.061 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325447 571573780 /nfs/dbraw/zinc/57/37/80/571573780.db2.gz XDRCXXWKMRALOB-SUVVMJBMSA-N 0 0 556.526 6.545 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325147 571573796 /nfs/dbraw/zinc/57/37/96/571573796.db2.gz ACUIQAGOTSUARD-SUVVMJBMSA-N 0 0 512.075 6.436 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C ZINC000208461376 571574516 /nfs/dbraw/zinc/57/45/16/571574516.db2.gz LDENLDKXPQCERQ-UUYOSTAYSA-N 0 0 540.483 6.064 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208662830 571574843 /nfs/dbraw/zinc/57/48/43/571574843.db2.gz OIALCTPFBDBBTP-NHDPSOOVSA-N 0 0 595.430 6.563 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208730009 571575102 /nfs/dbraw/zinc/57/51/02/571575102.db2.gz IOAVDDOPMCUYEP-ZDLGFXPLSA-N 0 0 532.353 5.931 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000224565588 571575919 /nfs/dbraw/zinc/57/59/19/571575919.db2.gz IQXAUXOSFUKKNI-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000224567648 571576434 /nfs/dbraw/zinc/57/64/34/571576434.db2.gz JZRRDMPPMPCIAN-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000224570257 571576921 /nfs/dbraw/zinc/57/69/21/571576921.db2.gz IKGYDBCHSYODEZ-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000224570186 571576953 /nfs/dbraw/zinc/57/69/53/571576953.db2.gz KIDMXCWUPLFYBD-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223932686 571578162 /nfs/dbraw/zinc/57/81/62/571578162.db2.gz BJAMXOFRBACHDF-CONSDPRKSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000223933634 571578225 /nfs/dbraw/zinc/57/82/25/571578225.db2.gz QPATWKOXXUWIHT-VMPREFPWSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br ZINC000223934240 571578364 /nfs/dbraw/zinc/57/83/64/571578364.db2.gz RIUUOJLLZXBPPN-FQLXRVMXSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223936694 571578828 /nfs/dbraw/zinc/57/88/28/571578828.db2.gz SGOAXYSGDOFVGB-JSOSNVBQSA-N 0 0 552.748 5.569 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223937009 571579042 /nfs/dbraw/zinc/57/90/42/571579042.db2.gz GTOJPIQXPKKINJ-JHOUSYSJSA-N 0 0 580.802 6.349 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223937577 571579113 /nfs/dbraw/zinc/57/91/13/571579113.db2.gz LDQXUCIFWMIXAF-VMPREFPWSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000223938275 571579270 /nfs/dbraw/zinc/57/92/70/571579270.db2.gz RRGDFSWGTRSWIM-IGYGKHONSA-N 0 0 537.733 6.120 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223939542 571579630 /nfs/dbraw/zinc/57/96/30/571579630.db2.gz IMGHVWVRVUBQPU-KYJUHHDHSA-N 0 0 584.702 5.420 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940496 571579746 /nfs/dbraw/zinc/57/97/46/571579746.db2.gz XGLLKLFJSRNMPZ-XZWHSSHBSA-N 0 0 574.150 6.165 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223940062 571579815 /nfs/dbraw/zinc/57/98/15/571579815.db2.gz UKFMWAYBJWTSKY-KYJUHHDHSA-N 0 0 558.151 6.465 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000223941122 571579970 /nfs/dbraw/zinc/57/99/70/571579970.db2.gz ARPFHQMSMFMUKM-FQLXRVMXSA-N 0 0 524.694 5.206 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ncccc1C ZINC000223941428 571580044 /nfs/dbraw/zinc/58/00/44/571580044.db2.gz XSJZIJPYOVYDBN-IZLXSDGUSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214663585 571580156 /nfs/dbraw/zinc/58/01/56/571580156.db2.gz BKGYJBLBMZFING-VULFUBBASA-N 0 0 584.525 7.094 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224587609 571581171 /nfs/dbraw/zinc/58/11/71/571581171.db2.gz WLSROMSYGLQKCV-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592319 571582202 /nfs/dbraw/zinc/58/22/02/571582202.db2.gz NAXGIVDKUILUNI-LOSJGSFVSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592525 571582343 /nfs/dbraw/zinc/58/23/43/571582343.db2.gz ZNMOILCAKVZCRW-URLMMPGGSA-N 0 0 525.678 5.208 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223955504 571583082 /nfs/dbraw/zinc/58/30/82/571583082.db2.gz ZZKGIQLOHORYNG-URLMMPGGSA-N 0 0 525.678 5.203 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223955968 571583150 /nfs/dbraw/zinc/58/31/50/571583150.db2.gz NPCQUGJKVNYJHQ-XZWHSSHBSA-N 0 0 567.715 5.289 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224601765 571584209 /nfs/dbraw/zinc/58/42/09/571584209.db2.gz CPQMABGERWPBIB-JWQCQUIFSA-N 0 0 508.569 6.391 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606111 571585072 /nfs/dbraw/zinc/58/50/72/571585072.db2.gz MWYSEPPMWLJDEX-VMPREFPWSA-N 0 0 511.695 6.218 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608990 571585805 /nfs/dbraw/zinc/58/58/05/571585805.db2.gz HYNNOHSSGLHXLS-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223972913 571586524 /nfs/dbraw/zinc/58/65/24/571586524.db2.gz OZYWTQMUWVGGBU-RRPNLBNLSA-N 0 0 549.622 6.643 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223973398 571586646 /nfs/dbraw/zinc/58/66/46/571586646.db2.gz SXSOTQHYRKLLLS-URLMMPGGSA-N 0 0 509.679 6.187 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223973154 571586650 /nfs/dbraw/zinc/58/66/50/571586650.db2.gz PBCNHSGKEJJUJB-URLMMPGGSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223975093 571586967 /nfs/dbraw/zinc/58/69/67/571586967.db2.gz LECDYSUDEXAHCB-KAYWLYCHSA-N 0 0 560.521 6.387 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223976434 571587196 /nfs/dbraw/zinc/58/71/96/571587196.db2.gz BZNKFRCQZDRVRZ-WUFINQPMSA-N 0 0 511.651 5.633 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223976377 571587252 /nfs/dbraw/zinc/58/72/52/571587252.db2.gz BZNKFRCQZDRVRZ-IZLXSDGUSA-N 0 0 511.651 5.633 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977551 571587499 /nfs/dbraw/zinc/58/74/99/571587499.db2.gz VEFIFJCABCWLMN-FIRIVFDPSA-N 0 0 552.748 6.471 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223978087 571587638 /nfs/dbraw/zinc/58/76/38/571587638.db2.gz XQFMGSZFIXPTEV-SXOMAYOGSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000223978684 571587652 /nfs/dbraw/zinc/58/76/52/571587652.db2.gz HPJBTICXYJSWAZ-FQLXRVMXSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223979252 571587796 /nfs/dbraw/zinc/58/77/96/571587796.db2.gz XMYYHIICWZGDAM-NSOVKSMOSA-N 0 0 525.634 5.353 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223980552 571588070 /nfs/dbraw/zinc/58/80/70/571588070.db2.gz FTFOBZCEFHUROT-WUFINQPMSA-N 0 0 530.097 6.586 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223980306 571588165 /nfs/dbraw/zinc/58/81/65/571588165.db2.gz WQJZIDUVSCSRSU-WUFINQPMSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000224635211 571591666 /nfs/dbraw/zinc/59/16/66/571591666.db2.gz ZSHLNBFXYVSVKW-FIRIVFDPSA-N 0 0 516.670 7.459 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224635772 571591741 /nfs/dbraw/zinc/59/17/41/571591741.db2.gz BTGHJYPXIIAETK-ROJLCIKYSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224635600 571591766 /nfs/dbraw/zinc/59/17/66/571591766.db2.gz LSKDKAWNWDLCHH-ROJLCIKYSA-N 0 0 530.697 7.767 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223996957 571591959 /nfs/dbraw/zinc/59/19/59/571591959.db2.gz QDVURCJLKCWZRC-WUFINQPMSA-N 0 0 539.661 5.411 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224636243 571591993 /nfs/dbraw/zinc/59/19/93/571591993.db2.gz CMUCUKKVGKBXQR-JHOUSYSJSA-N 0 0 544.724 8.021 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224638157 571592358 /nfs/dbraw/zinc/59/23/58/571592358.db2.gz VKSBMBLLTMJVIY-CONSDPRKSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000224637808 571592369 /nfs/dbraw/zinc/59/23/69/571592369.db2.gz UMFMMIRCXGVASC-IOWSJCHKSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224637952 571592435 /nfs/dbraw/zinc/59/24/35/571592435.db2.gz YNFMSJBULJLBNO-JSOSNVBQSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000224637855 571592464 /nfs/dbraw/zinc/59/24/64/571592464.db2.gz UMFMMIRCXGVASC-CONSDPRKSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000224638370 571592509 /nfs/dbraw/zinc/59/25/09/571592509.db2.gz NZWQPOLBRGKRIW-CONSDPRKSA-N 0 0 532.669 7.164 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224638615 571592543 /nfs/dbraw/zinc/59/25/43/571592543.db2.gz PEFQRCDXQFQEPW-ROJLCIKYSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224638511 571592581 /nfs/dbraw/zinc/59/25/81/571592581.db2.gz KMFLSFXIVBOZPR-IOWSJCHKSA-N 0 0 532.669 7.164 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224638898 571592681 /nfs/dbraw/zinc/59/26/81/571592681.db2.gz LEZHKMBOGMOVJT-AJQTZOPKSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224640670 571593189 /nfs/dbraw/zinc/59/31/89/571593189.db2.gz RAKXWZLBQWJINS-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643298 571593501 /nfs/dbraw/zinc/59/35/01/571593501.db2.gz ZJLFXWXDYAXDSL-CWTKIQHKSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(F)(F)F ZINC000224012350 571594966 /nfs/dbraw/zinc/59/49/66/571594966.db2.gz SFZGPMWLWBKTIZ-IZZNHLLZSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(F)(F)F ZINC000224012407 571595017 /nfs/dbraw/zinc/59/50/17/571595017.db2.gz SFZGPMWLWBKTIZ-UIOOFZCWSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl ZINC000224017263 571595964 /nfs/dbraw/zinc/59/59/64/571595964.db2.gz FZJGOSUCGHEDEV-CLJLJLNGSA-N 0 0 537.472 6.702 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224655108 571596505 /nfs/dbraw/zinc/59/65/05/571596505.db2.gz WGRVDJKDUMMXKN-IOWSJCHKSA-N 0 0 532.669 7.159 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccn1 ZINC000224662709 571598325 /nfs/dbraw/zinc/59/83/25/571598325.db2.gz JYKKXTZOSZAAGF-CONSDPRKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccn1 ZINC000224662608 571598358 /nfs/dbraw/zinc/59/83/58/571598358.db2.gz JYKKXTZOSZAAGF-JSOSNVBQSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1 ZINC000224669144 571599312 /nfs/dbraw/zinc/59/93/12/571599312.db2.gz QTBPTELSKFPURB-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224035731 571599409 /nfs/dbraw/zinc/59/94/09/571599409.db2.gz VTRPQNMPQSKONY-SXOMAYOGSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1F ZINC000224669985 571599438 /nfs/dbraw/zinc/59/94/38/571599438.db2.gz KIHQXQFKAOIIRS-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Cl ZINC000224670716 571599684 /nfs/dbraw/zinc/59/96/84/571599684.db2.gz VREOGOTZVKRTRB-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Br ZINC000224671239 571599826 /nfs/dbraw/zinc/59/98/26/571599826.db2.gz FDEISOAMQSCMRB-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224672143 571599976 /nfs/dbraw/zinc/59/99/76/571599976.db2.gz AIIAIRAHAPTRLH-ACHIHNKUSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224674327 571600507 /nfs/dbraw/zinc/60/05/07/571600507.db2.gz XFRLREYHDKHFMC-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224673913 571600524 /nfs/dbraw/zinc/60/05/24/571600524.db2.gz AYXZGGSPWPALNE-ZWXJPIIXSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224674696 571600665 /nfs/dbraw/zinc/60/06/65/571600665.db2.gz OOFIDMUMPCOQCP-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224675544 571600821 /nfs/dbraw/zinc/60/08/21/571600821.db2.gz BSTJAXKUKOFDOO-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000224043832 571601026 /nfs/dbraw/zinc/60/10/26/571601026.db2.gz PSKSSPHKPAAXTN-KAYWLYCHSA-N 0 0 534.085 5.740 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ncccc1C ZINC000224677169 571601303 /nfs/dbraw/zinc/60/13/03/571601303.db2.gz LSFWBOIAXGVXHA-JSOSNVBQSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224051269 571602296 /nfs/dbraw/zinc/60/22/96/571602296.db2.gz IWQONBRVMDSWFX-VMPREFPWSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224053504 571602682 /nfs/dbraw/zinc/60/26/82/571602682.db2.gz KIBJQSHOTTZKQE-WUFINQPMSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224056844 571603415 /nfs/dbraw/zinc/60/34/15/571603415.db2.gz OBAAOCLONKTUGL-WUFINQPMSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224057751 571603823 /nfs/dbraw/zinc/60/38/23/571603823.db2.gz VQMCSIKFAZSUER-XZWHSSHBSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224059720 571604233 /nfs/dbraw/zinc/60/42/33/571604233.db2.gz CSJQGSDKOVHEGF-FQLXRVMXSA-N 0 0 597.568 7.007 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224059846 571604253 /nfs/dbraw/zinc/60/42/53/571604253.db2.gz MZVWFKHWHCUOEX-WDYNHAJCSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224060798 571604490 /nfs/dbraw/zinc/60/44/90/571604490.db2.gz PIHPYUDPBMSAMV-IZLXSDGUSA-N 0 0 548.112 6.048 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)n1-c1ccccc1 ZINC000224689248 571604814 /nfs/dbraw/zinc/60/48/14/571604814.db2.gz YEPNZLRXQCUWPA-CONSDPRKSA-N 0 0 516.670 7.459 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000222247026 571604898 /nfs/dbraw/zinc/60/48/98/571604898.db2.gz LEAFKDDUVRBFCD-PFBJBMPXSA-N 0 0 578.418 5.811 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224689978 571604984 /nfs/dbraw/zinc/60/49/84/571604984.db2.gz DHTFUVNKLGBXQX-SAIUNTKASA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224694080 571605851 /nfs/dbraw/zinc/60/58/51/571605851.db2.gz FDZVUBWMWWMMEY-ROJLCIKYSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224698887 571606389 /nfs/dbraw/zinc/60/63/89/571606389.db2.gz HUAJNGHJFNGZEU-ZWXJPIIXSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C ZINC000224702944 571606806 /nfs/dbraw/zinc/60/68/06/571606806.db2.gz ZIBDMEYSEFBICX-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000224075409 571606821 /nfs/dbraw/zinc/60/68/21/571606821.db2.gz QQAZBMQLQMBEII-FQLXRVMXSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224703632 571606903 /nfs/dbraw/zinc/60/69/03/571606903.db2.gz RTERXNWZJSDBBS-AJQTZOPKSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224704622 571606933 /nfs/dbraw/zinc/60/69/33/571606933.db2.gz ZZYSYQAJSPTGBF-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224704675 571606952 /nfs/dbraw/zinc/60/69/52/571606952.db2.gz ZZYSYQAJSPTGBF-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224705072 571606971 /nfs/dbraw/zinc/60/69/71/571606971.db2.gz KOFNBTFFSYRIPV-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1O ZINC000224706149 571607118 /nfs/dbraw/zinc/60/71/18/571607118.db2.gz MLDJVJHVNJTZMH-ACHIHNKUSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224708084 571607428 /nfs/dbraw/zinc/60/74/28/571607428.db2.gz JSMMWVJPINHNMK-ZWXJPIIXSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224708583 571607478 /nfs/dbraw/zinc/60/74/78/571607478.db2.gz FMFVTDNEIKXMHJ-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224709384 571607762 /nfs/dbraw/zinc/60/77/62/571607762.db2.gz SXXLDJBBMOBYLP-LRHLLKFHSA-N 0 0 572.778 8.692 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224710198 571607937 /nfs/dbraw/zinc/60/79/37/571607937.db2.gz OIZCAQIKLIEHQI-LQJZCPKCSA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C ZINC000224089640 571608449 /nfs/dbraw/zinc/60/84/49/571608449.db2.gz LYKIIQDHUBGRSB-IHLOFXLRSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224091942 571608747 /nfs/dbraw/zinc/60/87/47/571608747.db2.gz CWBLZRUTNFYYTF-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224094696 571609142 /nfs/dbraw/zinc/60/91/42/571609142.db2.gz VNDGOOPXOOEYKL-JSOSNVBQSA-N 0 0 566.775 6.635 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224095038 571609215 /nfs/dbraw/zinc/60/92/15/571609215.db2.gz PJZOCLCQPJHELY-LQJZCPKCSA-N 0 0 594.829 7.415 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224096502 571609419 /nfs/dbraw/zinc/60/94/19/571609419.db2.gz BVVZXFPAMNIUSY-LOYHVIPDSA-N 0 0 567.715 6.298 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224096974 571609443 /nfs/dbraw/zinc/60/94/43/571609443.db2.gz JHLWLQWAMTUXNE-LOYHVIPDSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224096599 571609496 /nfs/dbraw/zinc/60/94/96/571609496.db2.gz BVVZXFPAMNIUSY-XZWHSSHBSA-N 0 0 567.715 6.298 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224097684 571609596 /nfs/dbraw/zinc/60/95/96/571609596.db2.gz XVTUERSJIUDZHL-LOYHVIPDSA-N 0 0 572.178 7.531 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098428 571609664 /nfs/dbraw/zinc/60/96/64/571609664.db2.gz LYUUUAQGMGRHLN-IHLOFXLRSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224097839 571609692 /nfs/dbraw/zinc/60/96/92/571609692.db2.gz XVTUERSJIUDZHL-KYJUHHDHSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224098947 571609780 /nfs/dbraw/zinc/60/97/80/571609780.db2.gz HHDKLPXIMMOAHM-URLMMPGGSA-N 0 0 538.721 6.273 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ncccc1C ZINC000224099127 571609787 /nfs/dbraw/zinc/60/97/87/571609787.db2.gz ZXWJOKYSWFRABH-IZLXSDGUSA-N 0 0 538.721 6.273 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224113579 571611514 /nfs/dbraw/zinc/61/15/14/571611514.db2.gz VRGYSZIADSGYRW-XZWHSSHBSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cc2)cc1 ZINC000224728378 571611747 /nfs/dbraw/zinc/61/17/47/571611747.db2.gz KEDVYRCIKDKHJE-ROJLCIKYSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cc2)cc1 ZINC000224728287 571611777 /nfs/dbraw/zinc/61/17/77/571611777.db2.gz KEDVYRCIKDKHJE-ZWXJPIIXSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4O)c3C)cc2)cc1 ZINC000224733020 571612220 /nfs/dbraw/zinc/61/22/20/571612220.db2.gz PPIBWSOAVWSAPG-ACHIHNKUSA-N 0 0 597.140 7.826 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc5ccccc54)c3C)cc2)cc1 ZINC000224736351 571612444 /nfs/dbraw/zinc/61/24/44/571612444.db2.gz SZKUOWGVHZYMEZ-XDSPJLLDSA-N 0 0 596.756 8.620 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224738019 571612609 /nfs/dbraw/zinc/61/26/09/571612609.db2.gz HNUNJCCESSDZBV-HEVIKAOCSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 ZINC000224739089 571612635 /nfs/dbraw/zinc/61/26/35/571612635.db2.gz NNZKKFANDIPHIV-ACHIHNKUSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 ZINC000224738812 571612650 /nfs/dbraw/zinc/61/26/50/571612650.db2.gz VTKJGIHFQOKHMZ-ROJLCIKYSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(OC)cc4)c3C)cc2)cc1 ZINC000224741224 571612843 /nfs/dbraw/zinc/61/28/43/571612843.db2.gz AVGVOXUXWDWWFQ-LQJZCPKCSA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C)c4C)c3C)cc2)cc1 ZINC000224742967 571612962 /nfs/dbraw/zinc/61/29/62/571612962.db2.gz JJHJXNWAGMIJHY-SZAHLOSFSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)cc1 ZINC000224743426 571613005 /nfs/dbraw/zinc/61/30/05/571613005.db2.gz DMASMHUDHAJIMP-ZFEZZJPFSA-N 0 0 574.750 8.084 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224745501 571613224 /nfs/dbraw/zinc/61/32/24/571613224.db2.gz GCLFETUDHYMGPW-VLZNPVHKSA-N 0 0 588.777 8.338 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(C)n3-c3ccccc3)cc2)cc1 ZINC000224757516 571614384 /nfs/dbraw/zinc/61/43/84/571614384.db2.gz RHZDGJIRZBBSOR-IOWSJCHKSA-N 0 0 532.669 7.159 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(C)n3-c3ccc(OC)cc3)cc2)cc1 ZINC000224757668 571614394 /nfs/dbraw/zinc/61/43/94/571614394.db2.gz WRSVFFWZRLHOKB-ZWXJPIIXSA-N 0 0 562.695 7.167 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c1 ZINC000224758111 571614412 /nfs/dbraw/zinc/61/44/12/571614412.db2.gz COWWLEOTOMUBCB-JHOUSYSJSA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224762644 571614835 /nfs/dbraw/zinc/61/48/35/571614835.db2.gz UYUMYXFAIQEFPH-OIDHKYIRSA-N 0 0 662.841 7.562 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000224763604 571614949 /nfs/dbraw/zinc/61/49/49/571614949.db2.gz VLDRLQRYQVHVEK-FIRIVFDPSA-N 0 0 628.223 8.603 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224772137 571615660 /nfs/dbraw/zinc/61/56/60/571615660.db2.gz MKXHXBUULYVZSW-SAIUNTKASA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224771837 571615665 /nfs/dbraw/zinc/61/56/65/571615665.db2.gz CYDZCSXZGCBUHB-ACHIHNKUSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224773585 571615786 /nfs/dbraw/zinc/61/57/86/571615786.db2.gz TUXWWCMZUCBAFP-JSOSNVBQSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224773540 571615791 /nfs/dbraw/zinc/61/57/91/571615791.db2.gz TUXWWCMZUCBAFP-FIRIVFDPSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224773671 571615823 /nfs/dbraw/zinc/61/58/23/571615823.db2.gz TUXWWCMZUCBAFP-CONSDPRKSA-N 0 0 612.180 8.379 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776153 571615983 /nfs/dbraw/zinc/61/59/83/571615983.db2.gz PODOVWRAFPLHQK-PXLJZGITSA-N 0 0 648.858 8.572 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224776311 571615985 /nfs/dbraw/zinc/61/59/85/571615985.db2.gz KHTPVGPOBITOJL-IOWSJCHKSA-N 0 0 646.625 9.032 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224775946 571616026 /nfs/dbraw/zinc/61/60/26/571616026.db2.gz FSIROQRZXKAYRF-LQJZCPKCSA-N 0 0 620.804 7.792 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224776658 571616067 /nfs/dbraw/zinc/61/60/67/571616067.db2.gz DQOSOUFEGCMBCE-SAIUNTKASA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224776810 571616069 /nfs/dbraw/zinc/61/60/69/571616069.db2.gz KIJXSRJRXXSOHN-CZNDPXEESA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224776507 571616084 /nfs/dbraw/zinc/61/60/84/571616084.db2.gz RWOXRYQYGGJFSC-IOWSJCHKSA-N 0 0 646.625 9.032 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778082 571616138 /nfs/dbraw/zinc/61/61/38/571616138.db2.gz XEIZFXFPUQQLTI-AJQTZOPKSA-N 0 0 652.758 7.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224779360 571616246 /nfs/dbraw/zinc/61/62/46/571616246.db2.gz PDNPCCRJVARZGX-FIRIVFDPSA-N 0 0 592.750 7.429 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779260 571616261 /nfs/dbraw/zinc/61/62/61/571616261.db2.gz RMMYZLTWVADVOG-UZNNEEJFSA-N 0 0 619.816 8.596 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1ccccc1 ZINC000224791308 571617484 /nfs/dbraw/zinc/61/74/84/571617484.db2.gz KQHPYZNYZFZNRJ-KYJUHHDHSA-N 0 0 563.708 7.417 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c(OC)c1 ZINC000224803668 571618637 /nfs/dbraw/zinc/61/86/37/571618637.db2.gz CFFCMNZIXMCUHH-CONSDPRKSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c(OC)c1 ZINC000224805103 571618746 /nfs/dbraw/zinc/61/87/46/571618746.db2.gz OSNCHZPEVBAFNC-SXOMAYOGSA-N 0 0 552.622 6.702 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224805311 571618782 /nfs/dbraw/zinc/61/87/82/571618782.db2.gz PTEWROIQUTVUJJ-WDYNHAJCSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000224806196 571618818 /nfs/dbraw/zinc/61/88/18/571618818.db2.gz NBRDXYPZLCJUJS-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000224806153 571618846 /nfs/dbraw/zinc/61/88/46/571618846.db2.gz NBRDXYPZLCJUJS-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1 ZINC000224806609 571618913 /nfs/dbraw/zinc/61/89/13/571618913.db2.gz UOBGFWPOSVDYSE-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 ZINC000224807464 571618987 /nfs/dbraw/zinc/61/89/87/571618987.db2.gz VZQQCYYIVYWKKN-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224808029 571619022 /nfs/dbraw/zinc/61/90/22/571619022.db2.gz PEYWHWGNLHPIRI-WUFINQPMSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224808183 571619052 /nfs/dbraw/zinc/61/90/52/571619052.db2.gz MSSUMEJDPAGMIZ-IZLXSDGUSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 ZINC000224810645 571619296 /nfs/dbraw/zinc/61/92/96/571619296.db2.gz ORZMPTAXXYJGRS-WUFINQPMSA-N 0 0 528.634 5.412 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(OC)c1 ZINC000224811085 571619339 /nfs/dbraw/zinc/61/93/39/571619339.db2.gz MROZECQZLWFBRI-VSGBNLITSA-N 0 0 533.097 6.645 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224824986 571620719 /nfs/dbraw/zinc/62/07/19/571620719.db2.gz GPDJELNRBAMGMX-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224828941 571621113 /nfs/dbraw/zinc/62/11/13/571621113.db2.gz FLZYQNKVRLVCDM-KAYWLYCHSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000224839588 571622185 /nfs/dbraw/zinc/62/21/85/571622185.db2.gz YBGPITLZWUBRKR-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000224839302 571622200 /nfs/dbraw/zinc/62/22/00/571622200.db2.gz VFNRXQXZJGXPKJ-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 ZINC000224842700 571622487 /nfs/dbraw/zinc/62/24/87/571622487.db2.gz RQNFSEGSDJDFJG-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000224843068 571622495 /nfs/dbraw/zinc/62/24/95/571622495.db2.gz CRXNLQQAQXREHH-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224843770 571622568 /nfs/dbraw/zinc/62/25/68/571622568.db2.gz WZWFARMOVHYAHD-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224843989 571622617 /nfs/dbraw/zinc/62/26/17/571622617.db2.gz LXKAKISSIDUQCI-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)cc1 ZINC000224856126 571623658 /nfs/dbraw/zinc/62/36/58/571623658.db2.gz DJUQYMSTBUZYDF-SXOMAYOGSA-N 0 0 500.624 5.384 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224856435 571623676 /nfs/dbraw/zinc/62/36/76/571623676.db2.gz HGGUKTVNIQQNKZ-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860451 571624094 /nfs/dbraw/zinc/62/40/94/571624094.db2.gz XWDLURNTTHMAJU-DQEYMECFSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc2ccccc21 ZINC000224867334 571624813 /nfs/dbraw/zinc/62/48/13/571624813.db2.gz WIHMDYOWTPRGOV-URLMMPGGSA-N 0 0 525.077 7.178 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224868830 571624920 /nfs/dbraw/zinc/62/49/20/571624920.db2.gz KRHMJFVWLZJDDJ-KAYWLYCHSA-N 0 0 503.071 6.588 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224886353 571626731 /nfs/dbraw/zinc/62/67/31/571626731.db2.gz LHULXARDKMHEDD-IZZNHLLZSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224890084 571627185 /nfs/dbraw/zinc/62/71/85/571627185.db2.gz BGHSPEROQAJRCF-UIOOFZCWSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224899923 571628158 /nfs/dbraw/zinc/62/81/58/571628158.db2.gz SFUSZGFSBZHVAZ-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224902771 571628337 /nfs/dbraw/zinc/62/83/37/571628337.db2.gz JGZUQYQGEXAPIP-KAYWLYCHSA-N 0 0 500.599 5.842 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224902809 571628373 /nfs/dbraw/zinc/62/83/73/571628373.db2.gz JGZUQYQGEXAPIP-SXOMAYOGSA-N 0 0 500.599 5.842 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904230 571628506 /nfs/dbraw/zinc/62/85/06/571628506.db2.gz UEMYAWVQJIHTCC-RRPNLBNLSA-N 0 0 531.613 6.031 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224915918 571629476 /nfs/dbraw/zinc/62/94/76/571629476.db2.gz YBWZMHMNVHNRMN-RRPNLBNLSA-N 0 0 514.626 5.900 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1 ZINC000224915705 571629477 /nfs/dbraw/zinc/62/94/77/571629477.db2.gz JDRKZGRQYLAFMZ-SXOMAYOGSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224919824 571629952 /nfs/dbraw/zinc/62/99/52/571629952.db2.gz SRSDQXJLUDQGQF-IHLOFXLRSA-N 0 0 602.602 6.574 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224919862 571629961 /nfs/dbraw/zinc/62/99/61/571629961.db2.gz SRSDQXJLUDQGQF-XZWHSSHBSA-N 0 0 602.602 6.574 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224927878 571630880 /nfs/dbraw/zinc/63/08/80/571630880.db2.gz BXGZSAIBWQCORP-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224929131 571631019 /nfs/dbraw/zinc/63/10/19/571631019.db2.gz MPADESYXVLRWKA-CLJLJLNGSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224929910 571631044 /nfs/dbraw/zinc/63/10/44/571631044.db2.gz MASTYPPMRISIHY-IZZNHLLZSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224929725 571631048 /nfs/dbraw/zinc/63/10/48/571631048.db2.gz WUIBMALPKNVDIX-IZZNHLLZSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1O ZINC000224930087 571631114 /nfs/dbraw/zinc/63/11/14/571631114.db2.gz CZXVYWHIRKFTJA-IZZNHLLZSA-N 0 0 533.495 6.443 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224931750 571631217 /nfs/dbraw/zinc/63/12/17/571631217.db2.gz PKTTVXFCMASPPY-CLJLJLNGSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224932195 571631254 /nfs/dbraw/zinc/63/12/54/571631254.db2.gz XRRVMMGUJKTHDY-NSOVKSMOSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933149 571631383 /nfs/dbraw/zinc/63/13/83/571631383.db2.gz FNPIWGWCGCLUOC-SXOMAYOGSA-N 0 0 592.519 6.654 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224933512 571631390 /nfs/dbraw/zinc/63/13/90/571631390.db2.gz OCNVAZDLSNJQAY-SXOMAYOGSA-N 0 0 565.968 7.699 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933951 571631467 /nfs/dbraw/zinc/63/14/67/571631467.db2.gz PIFQNVPEUIFWNZ-SVBPBHIXSA-N 0 0 581.967 7.399 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934265 571631503 /nfs/dbraw/zinc/63/15/03/571631503.db2.gz QTXHBMMXVYRFAN-LMSSTIIKSA-N 0 0 559.577 7.608 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224934755 571631563 /nfs/dbraw/zinc/63/15/63/571631563.db2.gz GOIAZKUUKVSUPI-FTJBHMTQSA-N 0 0 532.511 6.441 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)n1-c1ccccc1 ZINC000224944871 571632554 /nfs/dbraw/zinc/63/25/54/571632554.db2.gz MDFOXPMJQZVWQT-DQEYMECFSA-N 0 0 503.469 6.429 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(Br)cc4)o3)CC2)cc1 ZINC000224945841 571632668 /nfs/dbraw/zinc/63/26/68/571632668.db2.gz NKACKBOFYXZHDM-UHFFFAOYSA-N 0 0 518.411 5.742 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224949321 571633002 /nfs/dbraw/zinc/63/30/02/571633002.db2.gz ITBFCXNZOQSTQS-CLJLJLNGSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224957446 571633707 /nfs/dbraw/zinc/63/37/07/571633707.db2.gz UXUZOORAYMBLLI-FTJBHMTQSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224959449 571633950 /nfs/dbraw/zinc/63/39/50/571633950.db2.gz XXMLAOUBQQQMTN-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224960662 571634110 /nfs/dbraw/zinc/63/41/10/571634110.db2.gz KVAGNJCOMVUTLO-NSOVKSMOSA-N 0 0 532.113 6.394 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224961941 571634232 /nfs/dbraw/zinc/63/42/32/571634232.db2.gz XRIVDXKQUDNKGC-WUFINQPMSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224961864 571634251 /nfs/dbraw/zinc/63/42/51/571634251.db2.gz XRIVDXKQUDNKGC-NSOVKSMOSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224962826 571634338 /nfs/dbraw/zinc/63/43/38/571634338.db2.gz JKCIUWNJPVESRG-RRPNLBNLSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224963557 571634415 /nfs/dbraw/zinc/63/44/15/571634415.db2.gz WEZTZFVFSXKUMI-KAYWLYCHSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224963261 571634438 /nfs/dbraw/zinc/63/44/38/571634438.db2.gz CIEPIIPTAYSJLU-SVBPBHIXSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224963484 571634441 /nfs/dbraw/zinc/63/44/41/571634441.db2.gz WEZTZFVFSXKUMI-SXOMAYOGSA-N 0 0 564.067 6.245 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224963652 571634469 /nfs/dbraw/zinc/63/44/69/571634469.db2.gz JNQIVQBDXAPPOM-PXJZQJOASA-N 0 0 531.125 7.199 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000224974149 571635363 /nfs/dbraw/zinc/63/53/63/571635363.db2.gz QKZKTOGNNHFAOF-FTJBHMTQSA-N 0 0 505.043 6.028 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000224974219 571635374 /nfs/dbraw/zinc/63/53/74/571635374.db2.gz QKZKTOGNNHFAOF-UIOOFZCWSA-N 0 0 505.043 6.028 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224974816 571635439 /nfs/dbraw/zinc/63/54/39/571635439.db2.gz GRJSRAGOIHZRLK-SXOMAYOGSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224985505 571636397 /nfs/dbraw/zinc/63/63/97/571636397.db2.gz BQBUOFPXWKSZNV-JSOSNVBQSA-N 0 0 556.179 7.556 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224986848 571636552 /nfs/dbraw/zinc/63/65/52/571636552.db2.gz ACLWYUOZRVLTNY-JSOSNVBQSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224987059 571636597 /nfs/dbraw/zinc/63/65/97/571636597.db2.gz ZQBUOQMBLKDWLG-IOWSJCHKSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224987234 571636623 /nfs/dbraw/zinc/63/66/23/571636623.db2.gz WIOAQOKSAHZVDS-IOWSJCHKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224988065 571636641 /nfs/dbraw/zinc/63/66/41/571636641.db2.gz TVGOCJHMFZLHAW-JSOSNVBQSA-N 0 0 635.075 8.318 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000224988575 571636700 /nfs/dbraw/zinc/63/67/00/571636700.db2.gz JDJCXLLEGWXCSS-ZWXJPIIXSA-N 0 0 586.205 7.565 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224989496 571636871 /nfs/dbraw/zinc/63/68/71/571636871.db2.gz HXFXKZXPTRSTKS-LQJZCPKCSA-N 0 0 599.248 7.622 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224990745 571637004 /nfs/dbraw/zinc/63/70/04/571637004.db2.gz DAOMIZIWUBAFGN-ZWXJPIIXSA-N 0 0 600.188 7.285 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224990711 571637023 /nfs/dbraw/zinc/63/70/23/571637023.db2.gz DAOMIZIWUBAFGN-ROJLCIKYSA-N 0 0 600.188 7.285 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991294 571637074 /nfs/dbraw/zinc/63/70/74/571637074.db2.gz CHGOWMBLEYRQFH-AJQTZOPKSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224991122 571637078 /nfs/dbraw/zinc/63/70/78/571637078.db2.gz GSLDPSGGNOCLIX-AJQTZOPKSA-N 0 0 604.651 8.518 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000225002524 571638188 /nfs/dbraw/zinc/63/81/88/571638188.db2.gz NIWRHQBBQLRQFN-IOWSJCHKSA-N 0 0 572.178 7.256 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000225003263 571638246 /nfs/dbraw/zinc/63/82/46/571638246.db2.gz OYRRLFMWCSGQOH-ACHIHNKUSA-N 0 0 614.215 7.343 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000225003221 571638250 /nfs/dbraw/zinc/63/82/50/571638250.db2.gz OYRRLFMWCSGQOH-AJQTZOPKSA-N 0 0 614.215 7.343 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225043376 571641514 /nfs/dbraw/zinc/64/15/14/571641514.db2.gz OCKRNYUIJQDEKV-KYJUHHDHSA-N 0 0 509.723 6.526 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225043478 571641526 /nfs/dbraw/zinc/64/15/26/571641526.db2.gz HTMSICRDANMKOV-IHLOFXLRSA-N 0 0 509.723 6.526 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225045632 571641705 /nfs/dbraw/zinc/64/17/05/571641705.db2.gz DSMUYRPNJYVQRZ-WDYNHAJCSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225047070 571641931 /nfs/dbraw/zinc/64/19/31/571641931.db2.gz QLCORWPFZDOIHO-XZWHSSHBSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225048099 571642030 /nfs/dbraw/zinc/64/20/30/571642030.db2.gz RJAKRBPKKQDRHZ-URLMMPGGSA-N 0 0 530.141 6.926 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225060192 571643026 /nfs/dbraw/zinc/64/30/26/571643026.db2.gz SVZONHBNGVVNRL-VMPREFPWSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225063858 571643400 /nfs/dbraw/zinc/64/34/00/571643400.db2.gz MRTAVDPBQAPYQJ-CZNDPXEESA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000225066200 571643596 /nfs/dbraw/zinc/64/35/96/571643596.db2.gz WZCJKSQEUJRSGO-AJQTZOPKSA-N 0 0 574.710 6.079 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225072520 571644235 /nfs/dbraw/zinc/64/42/35/571644235.db2.gz OTWOVGPOLQKJOE-PXLJZGITSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225072980 571644247 /nfs/dbraw/zinc/64/42/47/571644247.db2.gz OBCHOHFXIWHSAQ-SAIUNTKASA-N 0 0 591.712 6.823 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225074510 571644401 /nfs/dbraw/zinc/64/44/01/571644401.db2.gz GDPPZTDYPJDXAY-SZAHLOSFSA-N 0 0 603.748 6.692 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225077380 571644804 /nfs/dbraw/zinc/64/48/04/571644804.db2.gz VFWCRCGEPQFYLV-KKLWWLSJSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078088 571644819 /nfs/dbraw/zinc/64/48/19/571644819.db2.gz YWKMJVGWETXZCA-NOCHOARKSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225088835 571646161 /nfs/dbraw/zinc/64/61/61/571646161.db2.gz DQBRXXXJXQAFSU-JHOUSYSJSA-N 0 0 589.721 6.384 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225088871 571646196 /nfs/dbraw/zinc/64/61/96/571646196.db2.gz DQBRXXXJXQAFSU-LQJZCPKCSA-N 0 0 589.721 6.384 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101618 571647292 /nfs/dbraw/zinc/64/72/92/571647292.db2.gz NHXQRBXDUAPVMU-URLMMPGGSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102399 571647382 /nfs/dbraw/zinc/64/73/82/571647382.db2.gz CORUFWVYKMSWFD-WDYNHAJCSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102740 571647462 /nfs/dbraw/zinc/64/74/62/571647462.db2.gz CIWCNJNOCLVKMR-WDYNHAJCSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225103418 571647519 /nfs/dbraw/zinc/64/75/19/571647519.db2.gz WKVWPGPVCVGBSC-IHLOFXLRSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105034 571647683 /nfs/dbraw/zinc/64/76/83/571647683.db2.gz RUUVMAXWUSRZTH-FIRIVFDPSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105168 571647690 /nfs/dbraw/zinc/64/76/90/571647690.db2.gz SIZMPNLWAABKAK-IOWSJCHKSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105299 571647721 /nfs/dbraw/zinc/64/77/21/571647721.db2.gz ODMYWESHPJYJLG-VEEOACQBSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106117 571647809 /nfs/dbraw/zinc/64/78/09/571647809.db2.gz MYRVGJQTZHYEBW-KYJUHHDHSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225106319 571647819 /nfs/dbraw/zinc/64/78/19/571647819.db2.gz UMWMZTDFIDZVRE-IHLOFXLRSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225106404 571647846 /nfs/dbraw/zinc/64/78/46/571647846.db2.gz UMWMZTDFIDZVRE-KYJUHHDHSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106914 571647896 /nfs/dbraw/zinc/64/78/96/571647896.db2.gz GSXMIDQCWJVBQQ-LOYHVIPDSA-N 0 0 618.203 7.321 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107046 571647942 /nfs/dbraw/zinc/64/79/42/571647942.db2.gz WHSQUHBFGKJNTR-XZWHSSHBSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107692 571648005 /nfs/dbraw/zinc/64/80/05/571648005.db2.gz YBRMCQBCHNMGEB-WDYNHAJCSA-N 0 0 568.747 6.363 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107600 571648020 /nfs/dbraw/zinc/64/80/20/571648020.db2.gz OMOLMVFDULAZGY-VSGBNLITSA-N 0 0 568.747 6.363 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NC(=O)C(C)(C)C ZINC000225117840 571649114 /nfs/dbraw/zinc/64/91/14/571649114.db2.gz PBKZMDKRCDPKNH-IZLXSDGUSA-N 0 0 539.705 6.351 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225118286 571649175 /nfs/dbraw/zinc/64/91/75/571649175.db2.gz DRKSGVWDKKUYEG-LOYHVIPDSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000225129564 571650130 /nfs/dbraw/zinc/65/01/30/571650130.db2.gz UQTDMSCHENJMTO-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225129770 571650151 /nfs/dbraw/zinc/65/01/51/571650151.db2.gz ATFYXQGMXIYWSS-WUFINQPMSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000225130460 571650177 /nfs/dbraw/zinc/65/01/77/571650177.db2.gz LFAACKRZSMLEDJ-NSOVKSMOSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000225130184 571650192 /nfs/dbraw/zinc/65/01/92/571650192.db2.gz LKNLGMWZVAFALB-VSGBNLITSA-N 0 0 562.114 7.053 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225130098 571650193 /nfs/dbraw/zinc/65/01/93/571650193.db2.gz CAWVGAPTMWXHSX-XZWHSSHBSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225131062 571650242 /nfs/dbraw/zinc/65/02/42/571650242.db2.gz HYOPPKNVOXCQJR-WUFINQPMSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225130834 571650250 /nfs/dbraw/zinc/65/02/50/571650250.db2.gz ICTRRICVUPSXDZ-VSGBNLITSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000225131320 571650286 /nfs/dbraw/zinc/65/02/86/571650286.db2.gz ZTRFYLKXCBWUEG-VSGBNLITSA-N 0 0 623.020 7.677 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132940 571650372 /nfs/dbraw/zinc/65/03/72/571650372.db2.gz KQUUSWACTJNYEO-ROJLCIKYSA-N 0 0 615.247 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225133114 571650452 /nfs/dbraw/zinc/65/04/52/571650452.db2.gz IOCCFYMDADVABJ-VSGBNLITSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225133221 571650472 /nfs/dbraw/zinc/65/04/72/571650472.db2.gz IOCCFYMDADVABJ-NSOVKSMOSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000225133608 571650521 /nfs/dbraw/zinc/65/05/21/571650521.db2.gz ISTHEBHPGULBDY-LOYHVIPDSA-N 0 0 572.178 7.531 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135603 571650645 /nfs/dbraw/zinc/65/06/45/571650645.db2.gz ZAZXMPRHAXVDQU-SMCANUKXSA-N 0 0 586.205 7.785 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000225135655 571650692 /nfs/dbraw/zinc/65/06/92/571650692.db2.gz JRYAWMBXSZMXOY-VSGBNLITSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000225135870 571650717 /nfs/dbraw/zinc/65/07/17/571650717.db2.gz HFWJVDXELTXZGV-RRPNLBNLSA-N 0 0 559.139 6.618 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000225150656 571652467 /nfs/dbraw/zinc/65/24/67/571652467.db2.gz ATRBFSGPWQIXJB-VMPREFPWSA-N 0 0 560.167 7.201 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000225150706 571652476 /nfs/dbraw/zinc/65/24/76/571652476.db2.gz ATRBFSGPWQIXJB-WDYNHAJCSA-N 0 0 560.167 7.201 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225153485 571652721 /nfs/dbraw/zinc/65/27/21/571652721.db2.gz QINNIEKSNABSDI-WDYNHAJCSA-N 0 0 560.123 6.682 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225156118 571652966 /nfs/dbraw/zinc/65/29/66/571652966.db2.gz TVBFCTXPIZTWSE-SAIUNTKASA-N 0 0 559.739 7.476 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225157004 571653024 /nfs/dbraw/zinc/65/30/24/571653024.db2.gz ATXOXNPKROZQMN-XZWHSSHBSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1C ZINC000225157588 571653066 /nfs/dbraw/zinc/65/30/66/571653066.db2.gz AROAOHVBWSRFAF-CONSDPRKSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225157883 571653087 /nfs/dbraw/zinc/65/30/87/571653087.db2.gz YWCUSCUYYVNMLL-FQLXRVMXSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225159385 571653236 /nfs/dbraw/zinc/65/32/36/571653236.db2.gz UTZDYZJQHRFAQI-WDYNHAJCSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225161923 571653447 /nfs/dbraw/zinc/65/34/47/571653447.db2.gz RVQTUUYWFFLKJK-KYJUHHDHSA-N 0 0 553.688 6.052 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225161521 571653469 /nfs/dbraw/zinc/65/34/69/571653469.db2.gz KAPSTHUKYLEDBR-FIRIVFDPSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225162102 571653487 /nfs/dbraw/zinc/65/34/87/571653487.db2.gz MRRPRTBVUCFMOB-CDZUIXILSA-N 0 0 551.760 7.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225162628 571653530 /nfs/dbraw/zinc/65/35/30/571653530.db2.gz HUEUYYCWSGIISN-KYJUHHDHSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225163136 571653534 /nfs/dbraw/zinc/65/35/34/571653534.db2.gz FLZCZQAORBCGTR-KYJUHHDHSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225162705 571653544 /nfs/dbraw/zinc/65/35/44/571653544.db2.gz HUEUYYCWSGIISN-XZWHSSHBSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225163345 571653589 /nfs/dbraw/zinc/65/35/89/571653589.db2.gz ZCNFFDDRTDHNMM-IHLOFXLRSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225174025 571654516 /nfs/dbraw/zinc/65/45/16/571654516.db2.gz KIGSXODZEJUGEM-KYJUHHDHSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1OC ZINC000225177995 571654902 /nfs/dbraw/zinc/65/49/02/571654902.db2.gz GXZRCUOJUGNWRT-JHOUSYSJSA-N 0 0 610.784 5.860 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1OC ZINC000225178916 571655018 /nfs/dbraw/zinc/65/50/18/571655018.db2.gz CEUZEPWVHPRSKA-WDYNHAJCSA-N 0 0 576.166 6.901 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000225180014 571655127 /nfs/dbraw/zinc/65/51/27/571655127.db2.gz LJVJCAFFNUOIGM-NSOVKSMOSA-N 0 0 526.666 5.418 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000225180131 571655164 /nfs/dbraw/zinc/65/51/64/571655164.db2.gz LJVJCAFFNUOIGM-VSGBNLITSA-N 0 0 526.666 5.418 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000225184993 571655694 /nfs/dbraw/zinc/65/56/94/571655694.db2.gz DKUUJVJMYVOZPP-URLMMPGGSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC ZINC000225185483 571655712 /nfs/dbraw/zinc/65/57/12/571655712.db2.gz DBGCQOJSAWJJLM-XZWHSSHBSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1OC ZINC000225185922 571655804 /nfs/dbraw/zinc/65/58/04/571655804.db2.gz VHZZQTMTEUIACA-JSOSNVBQSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1OC ZINC000225187105 571655937 /nfs/dbraw/zinc/65/59/37/571655937.db2.gz KBMYQWYYEKTZON-URLMMPGGSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC ZINC000225187490 571655988 /nfs/dbraw/zinc/65/59/88/571655988.db2.gz BWAZRMMKZVMJQS-FQLXRVMXSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC ZINC000225189233 571656132 /nfs/dbraw/zinc/65/61/32/571656132.db2.gz KLKMWQWPYMFIKZ-VMPREFPWSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC ZINC000225189061 571656152 /nfs/dbraw/zinc/65/61/52/571656152.db2.gz JSEWGIYDKIBXHH-VMPREFPWSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC ZINC000225189674 571656171 /nfs/dbraw/zinc/65/61/71/571656171.db2.gz APUHCRFYVVQVPM-IOWSJCHKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1OC ZINC000225191533 571656399 /nfs/dbraw/zinc/65/63/99/571656399.db2.gz BXEQOYHMVWNJNU-KYJUHHDHSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1OC ZINC000225201918 571657396 /nfs/dbraw/zinc/65/73/96/571657396.db2.gz PFMVHZZHMVXEFQ-VSGBNLITSA-N 0 0 511.651 5.715 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000225206147 571657854 /nfs/dbraw/zinc/65/78/54/571657854.db2.gz JDQGKJNHHLNHLV-VSGBNLITSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1 ZINC000225213451 571658529 /nfs/dbraw/zinc/65/85/29/571658529.db2.gz HBAJUSCWEBOWTC-URLMMPGGSA-N 0 0 525.678 5.560 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225214101 571658540 /nfs/dbraw/zinc/65/85/40/571658540.db2.gz GARRWBVYPVOFDP-IHLOFXLRSA-N 0 0 539.705 5.814 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225214178 571658614 /nfs/dbraw/zinc/65/86/14/571658614.db2.gz GARRWBVYPVOFDP-KYJUHHDHSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000225215440 571658705 /nfs/dbraw/zinc/65/87/05/571658705.db2.gz VVJXRBCPZFDQBK-NSOVKSMOSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000225215208 571658708 /nfs/dbraw/zinc/65/87/08/571658708.db2.gz SEFMZYQTGMICNQ-VSGBNLITSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 ZINC000225216281 571658820 /nfs/dbraw/zinc/65/88/20/571658820.db2.gz NKVMGOVDGLJYEB-VMPREFPWSA-N 0 0 541.677 5.260 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217422 571658976 /nfs/dbraw/zinc/65/89/76/571658976.db2.gz AXGLTJBANHXVTG-AJQTZOPKSA-N 0 0 582.774 6.097 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000225218108 571659004 /nfs/dbraw/zinc/65/90/04/571659004.db2.gz WEQMTIGJIOUAOF-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000225230478 571660457 /nfs/dbraw/zinc/66/04/57/571660457.db2.gz RYMCILREKVRPJI-URLMMPGGSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000225242439 571661754 /nfs/dbraw/zinc/66/17/54/571661754.db2.gz VKMWFJCJEREDMA-IZLXSDGUSA-N 0 0 564.086 6.044 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225245047 571662037 /nfs/dbraw/zinc/66/20/37/571662037.db2.gz UKMKITVWGPPEAI-AJQTZOPKSA-N 0 0 617.219 6.751 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000225247276 571662262 /nfs/dbraw/zinc/66/22/62/571662262.db2.gz KCKKAQUEHPXJQI-WDYNHAJCSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000225247312 571662283 /nfs/dbraw/zinc/66/22/83/571662283.db2.gz KCKKAQUEHPXJQI-URLMMPGGSA-N 0 0 610.567 6.567 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225247641 571662289 /nfs/dbraw/zinc/66/22/89/571662289.db2.gz RLHASKUOKUBNMX-IGYGKHONSA-N 0 0 588.177 6.775 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225261417 571663799 /nfs/dbraw/zinc/66/37/99/571663799.db2.gz QCRZNHSHGGYMNT-LQJZCPKCSA-N 0 0 610.784 5.396 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225261482 571663833 /nfs/dbraw/zinc/66/38/33/571663833.db2.gz QCRZNHSHGGYMNT-JHOUSYSJSA-N 0 0 610.784 5.396 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225267023 571664493 /nfs/dbraw/zinc/66/44/93/571664493.db2.gz VODLTEDUAPVKNP-SAIUNTKASA-N 0 0 575.738 6.713 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225269141 571664757 /nfs/dbraw/zinc/66/47/57/571664757.db2.gz BAKMJBVEWPASFH-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225269210 571664796 /nfs/dbraw/zinc/66/47/96/571664796.db2.gz BAKMJBVEWPASFH-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225269242 571664821 /nfs/dbraw/zinc/66/48/21/571664821.db2.gz BAKMJBVEWPASFH-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225270313 571664919 /nfs/dbraw/zinc/66/49/19/571664919.db2.gz WBIHFNHDXSEWPN-LOYHVIPDSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225272422 571665170 /nfs/dbraw/zinc/66/51/70/571665170.db2.gz CJJCUEPNWGREIE-XZWHSSHBSA-N 0 0 569.687 5.288 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225272171 571665185 /nfs/dbraw/zinc/66/51/85/571665185.db2.gz VKOIDSNUIWQIGU-CONSDPRKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225272841 571665214 /nfs/dbraw/zinc/66/52/14/571665214.db2.gz WKTMAHPUPBOCKJ-KYJUHHDHSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225273193 571665267 /nfs/dbraw/zinc/66/52/67/571665267.db2.gz JHZHXKIWYCDEOR-IHLOFXLRSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225274148 571665363 /nfs/dbraw/zinc/66/53/63/571665363.db2.gz LEWDHEMWLBDLCZ-IZLXSDGUSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1OC ZINC000225288148 571666866 /nfs/dbraw/zinc/66/68/66/571666866.db2.gz UMIRFYCPCIGMEI-URLMMPGGSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1OC ZINC000225288294 571666894 /nfs/dbraw/zinc/66/68/94/571666894.db2.gz SIMAJXYNULNUFU-JHOUSYSJSA-N 0 0 626.783 5.096 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1OC ZINC000225289003 571666996 /nfs/dbraw/zinc/66/69/96/571666996.db2.gz DLKXMSAVWDQDMK-VMPREFPWSA-N 0 0 592.165 6.137 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1OC ZINC000225295585 571667842 /nfs/dbraw/zinc/66/78/42/571667842.db2.gz XUXMWTZIFVKXQQ-FQLXRVMXSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1OC ZINC000225295884 571667930 /nfs/dbraw/zinc/66/79/30/571667930.db2.gz GVZKXOCMPKSLAU-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1OC ZINC000225296129 571668005 /nfs/dbraw/zinc/66/80/05/571668005.db2.gz OXRYWCOKGBVWSI-WDYNHAJCSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)ccc1OC ZINC000225296516 571668041 /nfs/dbraw/zinc/66/80/41/571668041.db2.gz KENXDPNFDUFTGV-XZWHSSHBSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1OC ZINC000225298353 571668325 /nfs/dbraw/zinc/66/83/25/571668325.db2.gz PRHCIYMBOILQRF-FQLXRVMXSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1OC ZINC000225298752 571668405 /nfs/dbraw/zinc/66/84/05/571668405.db2.gz WPHGMZRHNLDIBO-IGYGKHONSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1OC ZINC000225299207 571668467 /nfs/dbraw/zinc/66/84/67/571668467.db2.gz LFXONIQNCMMIEE-XDFJSJKPSA-N 0 0 583.758 6.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NC(C)=O ZINC000225315216 571671169 /nfs/dbraw/zinc/67/11/69/571671169.db2.gz PWFGBNQJQDKVEU-NSOVKSMOSA-N 0 0 562.095 5.992 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NC(C)=O ZINC000225318150 571672246 /nfs/dbraw/zinc/67/22/46/571672246.db2.gz IUBSBZSNTMBFGF-WUFINQPMSA-N 0 0 511.651 5.633 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NC(C)=O ZINC000225319506 571673836 /nfs/dbraw/zinc/67/38/36/571673836.db2.gz SUYUCFNQINRORV-VSGBNLITSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O ZINC000225319645 571673929 /nfs/dbraw/zinc/67/39/29/571673929.db2.gz PLOUCHRSSXKGEZ-VSGBNLITSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NC(C)=O ZINC000225320780 571675816 /nfs/dbraw/zinc/67/58/16/571675816.db2.gz GMEJYHYWSMOULB-XZWHSSHBSA-N 0 0 554.720 5.699 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NC(C)=O ZINC000225321663 571677202 /nfs/dbraw/zinc/67/72/02/571677202.db2.gz WCBSLCIJDCOLFS-MFMCTBQISA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NC(C)=O ZINC000225321789 571677226 /nfs/dbraw/zinc/67/72/26/571677226.db2.gz ZKNUKGKWIIKZJX-IHLOFXLRSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NC(C)=O ZINC000225323011 571679154 /nfs/dbraw/zinc/67/91/54/571679154.db2.gz FEXUKFVMXLWJFS-VMPREFPWSA-N 0 0 576.122 6.295 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NC(C)=O ZINC000225323228 571679166 /nfs/dbraw/zinc/67/91/66/571679166.db2.gz ZJQPFACAOQSMOU-URLMMPGGSA-N 0 0 586.674 5.550 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225332692 571690664 /nfs/dbraw/zinc/69/06/64/571690664.db2.gz OQKUWKIGCMPQSB-FQLXRVMXSA-N 0 0 569.687 5.420 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225332768 571691039 /nfs/dbraw/zinc/69/10/39/571691039.db2.gz HWFYVSKRXXVCND-WDYNHAJCSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225339610 571698986 /nfs/dbraw/zinc/69/89/86/571698986.db2.gz FBLCNPAJTGNFIU-IZLXSDGUSA-N 0 0 533.097 6.812 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000225344565 571704093 /nfs/dbraw/zinc/70/40/93/571704093.db2.gz OLRLERVVYTYZSK-VSGBNLITSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225344898 571704724 /nfs/dbraw/zinc/70/47/24/571704724.db2.gz VZEHUGHOGFSXCL-IZLXSDGUSA-N 0 0 561.549 7.216 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225345500 571705102 /nfs/dbraw/zinc/70/51/02/571705102.db2.gz MZLVPNBHFWFNAD-FQLXRVMXSA-N 0 0 512.679 6.462 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225345605 571705177 /nfs/dbraw/zinc/70/51/77/571705177.db2.gz MZLVPNBHFWFNAD-VMPREFPWSA-N 0 0 512.679 6.462 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225347471 571707652 /nfs/dbraw/zinc/70/76/52/571707652.db2.gz UTUIVXYPILTJBE-WDYNHAJCSA-N 0 0 526.662 6.182 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225348267 571709033 /nfs/dbraw/zinc/70/90/33/571709033.db2.gz AQVHPNBEGBEXAQ-WDYNHAJCSA-N 0 0 531.125 7.415 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348896 571709550 /nfs/dbraw/zinc/70/95/50/571709550.db2.gz YDFGJOCMXPQJIR-BVRKHOPBSA-N 0 0 524.734 7.324 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348845 571709570 /nfs/dbraw/zinc/70/95/70/571709570.db2.gz UWYGCEVWHVZFPK-VMPREFPWSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348649 571709755 /nfs/dbraw/zinc/70/97/55/571709755.db2.gz DBAJMQDTORPENT-URLMMPGGSA-N 0 0 547.124 7.115 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000225363141 571725894 /nfs/dbraw/zinc/72/58/94/571725894.db2.gz WBPGHEPUOPPMHQ-LOYHVIPDSA-N 0 0 524.734 7.212 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225365681 571728879 /nfs/dbraw/zinc/72/88/79/571728879.db2.gz IQQFOIGVMRDLBD-LOYHVIPDSA-N 0 0 559.135 7.347 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225369497 571733911 /nfs/dbraw/zinc/73/39/11/571733911.db2.gz GFGRTVLRXBTWFM-ACHIHNKUSA-N 0 0 536.745 7.550 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225369308 571734097 /nfs/dbraw/zinc/73/40/97/571734097.db2.gz ZKCZLDVIBSNJKQ-AJQTZOPKSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225369882 571734525 /nfs/dbraw/zinc/73/45/25/571734525.db2.gz XOXDCGQWSNDCFP-IHLOFXLRSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000225370070 571735149 /nfs/dbraw/zinc/73/51/49/571735149.db2.gz UTFUTPQYAWNBSU-XZWHSSHBSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225371144 571736017 /nfs/dbraw/zinc/73/60/17/571736017.db2.gz GBUBGMFSZSBXFO-XZWHSSHBSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225372542 571737812 /nfs/dbraw/zinc/73/78/12/571737812.db2.gz HCFWMOVFYDEDOB-ROJLCIKYSA-N 0 0 536.745 7.604 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225373835 571739638 /nfs/dbraw/zinc/73/96/38/571739638.db2.gz QNUSQTCIVNNSIX-CONSDPRKSA-N 0 0 583.714 6.904 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260851224 571751382 /nfs/dbraw/zinc/75/13/82/571751382.db2.gz KOPMEAZIPOUTEM-FQLXRVMXSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260851125 571751489 /nfs/dbraw/zinc/75/14/89/571751489.db2.gz GHLGMONVYDEZFF-URLMMPGGSA-N 0 0 525.722 6.023 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260852491 571752962 /nfs/dbraw/zinc/75/29/62/571752962.db2.gz QGYPTMZYIKFCOK-VSGBNLITSA-N 0 0 596.584 6.782 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NC(C)=O ZINC000260852579 571752970 /nfs/dbraw/zinc/75/29/70/571752970.db2.gz SHCYJFHFCAONPW-WUFINQPMSA-N 0 0 527.694 5.857 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225392643 571761291 /nfs/dbraw/zinc/76/12/91/571761291.db2.gz KXGLVEXADJETNH-IHLOFXLRSA-N 0 0 567.740 6.191 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000225393402 571762505 /nfs/dbraw/zinc/76/25/05/571762505.db2.gz MBPYAGCFTRGTKA-RRPNLBNLSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000225393227 571762527 /nfs/dbraw/zinc/76/25/27/571762527.db2.gz KASBELIZGYHIFR-IZZNHLLZSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225393932 571762866 /nfs/dbraw/zinc/76/28/66/571762866.db2.gz BHQPIBYGFTZNCW-FTJBHMTQSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225393744 571762958 /nfs/dbraw/zinc/76/29/58/571762958.db2.gz SNRROXYFJFQGNZ-SXOMAYOGSA-N 0 0 531.707 5.346 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225396401 571766135 /nfs/dbraw/zinc/76/61/35/571766135.db2.gz NDFWZOIQRGZNRN-KAYWLYCHSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cccc1C ZINC000225398522 571768196 /nfs/dbraw/zinc/76/81/96/571768196.db2.gz OLWYKBHMWAGCJN-XCZPVHLTSA-N 0 0 545.734 5.655 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000225417897 571785144 /nfs/dbraw/zinc/78/51/44/571785144.db2.gz QPQKGLBOJAMLLO-SXOMAYOGSA-N 0 0 563.749 5.271 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NS(C)(=O)=O ZINC000225425488 571791488 /nfs/dbraw/zinc/79/14/88/571791488.db2.gz QNTOMNGWLMOERT-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225425102 571791641 /nfs/dbraw/zinc/79/16/41/571791641.db2.gz QBMZKSZWOVUCKW-WDYNHAJCSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225425753 571791967 /nfs/dbraw/zinc/79/19/67/571791967.db2.gz BJQLHHHQQJJIDV-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225425653 571792000 /nfs/dbraw/zinc/79/20/00/571792000.db2.gz PWIPUORJFLBKHN-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NS(C)(=O)=O ZINC000225426490 571792912 /nfs/dbraw/zinc/79/29/12/571792912.db2.gz JUQJBSIPFIGCAX-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426818 571793549 /nfs/dbraw/zinc/79/35/49/571793549.db2.gz CLRLLRYBCQIJCA-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428200 571795150 /nfs/dbraw/zinc/79/51/50/571795150.db2.gz OCSVDXCEUMUMSO-URLMMPGGSA-N 0 0 590.775 5.112 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429482 571796987 /nfs/dbraw/zinc/79/69/87/571796987.db2.gz QORJCYVSKGCVEM-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429629 571797139 /nfs/dbraw/zinc/79/71/39/571797139.db2.gz ZAXIGLCVAKGPII-YTMVLYRLSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430872 571798399 /nfs/dbraw/zinc/79/83/99/571798399.db2.gz MCBAEDRELUNCAC-NSOVKSMOSA-N 0 0 596.178 6.008 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225445974 571817887 /nfs/dbraw/zinc/81/78/87/571817887.db2.gz XVKHDIINHVKJQG-KAYWLYCHSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225446179 571817931 /nfs/dbraw/zinc/81/79/31/571817931.db2.gz BYCQSQJZDHGYKZ-IOWSJCHKSA-N 0 0 616.813 5.183 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225446083 571818058 /nfs/dbraw/zinc/81/80/58/571818058.db2.gz XVKHDIINHVKJQG-SVBPBHIXSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225454515 571826140 /nfs/dbraw/zinc/82/61/40/571826140.db2.gz VSHRWJFBAGYZPG-KAYWLYCHSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225454550 571826226 /nfs/dbraw/zinc/82/62/26/571826226.db2.gz VSHRWJFBAGYZPG-SXOMAYOGSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225455397 571827121 /nfs/dbraw/zinc/82/71/21/571827121.db2.gz XLCVRUSNPLLLOW-RRPNLBNLSA-N 0 0 547.706 5.052 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225457063 571828704 /nfs/dbraw/zinc/82/87/04/571828704.db2.gz DDTIHQSFVHUGIH-FQLXRVMXSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225456861 571828767 /nfs/dbraw/zinc/82/87/67/571828767.db2.gz FREZNBKSVNPATF-SVBPBHIXSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225456769 571828795 /nfs/dbraw/zinc/82/87/95/571828795.db2.gz FREZNBKSVNPATF-KAYWLYCHSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225457630 571829588 /nfs/dbraw/zinc/82/95/88/571829588.db2.gz PYQSPIQSODJCKD-PQHLKRTFSA-N 0 0 573.788 6.271 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225457796 571829629 /nfs/dbraw/zinc/82/96/29/571829629.db2.gz BNFQILAUPOFFML-VSGBNLITSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260909976 571836429 /nfs/dbraw/zinc/83/64/29/571836429.db2.gz BHNRBYULZZTXJR-RRPNLBNLSA-N 0 0 503.115 7.161 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)cc21 ZINC000260909817 571836637 /nfs/dbraw/zinc/83/66/37/571836637.db2.gz ADOMMSHWQMRIAH-BAGWDXEUSA-N 0 0 620.694 8.680 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225468798 571839665 /nfs/dbraw/zinc/83/96/65/571839665.db2.gz KXRKMNGBSFNTAW-VSGBNLITSA-N 0 0 589.743 5.133 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000225468255 571839695 /nfs/dbraw/zinc/83/96/95/571839695.db2.gz IITHIACCXDQNMO-SVBPBHIXSA-N 0 0 547.706 5.046 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225468671 571839787 /nfs/dbraw/zinc/83/97/87/571839787.db2.gz UHYVIMXGYFVIJA-IZLXSDGUSA-N 0 0 589.743 5.133 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225468907 571840128 /nfs/dbraw/zinc/84/01/28/571840128.db2.gz KXRKMNGBSFNTAW-NSOVKSMOSA-N 0 0 589.743 5.133 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000260911774 571840413 /nfs/dbraw/zinc/84/04/13/571840413.db2.gz DDOOICAEZZAWFZ-HBFWWTAJSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000260914198 571843833 /nfs/dbraw/zinc/84/38/33/571843833.db2.gz GBCFJMKVWHZQQA-ZVUFWCIGSA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000260914374 571844341 /nfs/dbraw/zinc/84/43/41/571844341.db2.gz GNAAZCGNKCFEDD-DQMJNTIXSA-N 0 0 500.590 5.659 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)cc21 ZINC000260916448 571848482 /nfs/dbraw/zinc/84/84/82/571848482.db2.gz IZCVDTQCHLZRSX-UIOOFZCWSA-N 0 0 526.150 5.062 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NS(C)(=O)=O ZINC000225478438 571848679 /nfs/dbraw/zinc/84/86/79/571848679.db2.gz BFBSIXBWZUYCQO-JSOSNVBQSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NS(C)(=O)=O ZINC000225481016 571851190 /nfs/dbraw/zinc/85/11/90/571851190.db2.gz WKARQMOPCBQUHS-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482069 571852555 /nfs/dbraw/zinc/85/25/55/571852555.db2.gz DTIUMPALDFIDPV-VMPREFPWSA-N 0 0 590.775 5.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NS(C)(=O)=O ZINC000225482678 571853584 /nfs/dbraw/zinc/85/35/84/571853584.db2.gz QWEWETRRFBASCD-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484306 571854656 /nfs/dbraw/zinc/85/46/56/571854656.db2.gz XJCNDSVGQGMRMR-VSGBNLITSA-N 0 0 612.177 5.708 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000260920990 571856035 /nfs/dbraw/zinc/85/60/35/571856035.db2.gz NWSFYMYJPYRRAV-MPLPQHJPSA-N 0 0 586.249 8.026 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000260920970 571856057 /nfs/dbraw/zinc/85/60/57/571856057.db2.gz NVTHBBPSQMGXMW-HBFWWTAJSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000260921368 571857241 /nfs/dbraw/zinc/85/72/41/571857241.db2.gz POAJCPCTPZMCGI-AJQTZOPKSA-N 0 0 581.185 8.645 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225504246 571874812 /nfs/dbraw/zinc/87/48/12/571874812.db2.gz DPLYDQFRBCYUMG-VMPREFPWSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225504966 571875174 /nfs/dbraw/zinc/87/51/74/571875174.db2.gz VZGWFVFQLROIEA-RRPNLBNLSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225505006 571875425 /nfs/dbraw/zinc/87/54/25/571875425.db2.gz VZGWFVFQLROIEA-SVBPBHIXSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225505426 571875920 /nfs/dbraw/zinc/87/59/20/571875920.db2.gz NUOQOVWHYMWOPT-RRPNLBNLSA-N 0 0 560.521 5.863 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 ZINC000225506051 571876510 /nfs/dbraw/zinc/87/65/10/571876510.db2.gz UYQVCQPHOXEEBT-NSOVKSMOSA-N 0 0 511.651 5.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225507049 571878170 /nfs/dbraw/zinc/87/81/70/571878170.db2.gz WMVNDZYKRKFMIY-RRPNLBNLSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225508113 571879007 /nfs/dbraw/zinc/87/90/07/571879007.db2.gz MMHOZCBAOMXWTE-JDXGNMNLSA-N 0 0 523.706 6.026 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225508270 571879473 /nfs/dbraw/zinc/87/94/73/571879473.db2.gz ORMDMCLKDLXSGO-NSOVKSMOSA-N 0 0 530.097 6.062 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508894 571880016 /nfs/dbraw/zinc/88/00/16/571880016.db2.gz PRTDJRFMUGQHSJ-VSGBNLITSA-N 0 0 546.096 5.762 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225521923 571890435 /nfs/dbraw/zinc/89/04/35/571890435.db2.gz VMKSIYRVNDZOPV-IZLXSDGUSA-N 0 0 563.649 6.509 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000225523355 571891243 /nfs/dbraw/zinc/89/12/43/571891243.db2.gz RZYZPQZUBHPGJT-VSGBNLITSA-N 0 0 511.695 5.715 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225525559 571892848 /nfs/dbraw/zinc/89/28/48/571892848.db2.gz HDLSGBRIIGFOBZ-WUFINQPMSA-N 0 0 546.096 5.849 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F ZINC000225528506 571894868 /nfs/dbraw/zinc/89/48/68/571894868.db2.gz RZRWMSNDXBMMRP-WUFINQPMSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225529295 571896015 /nfs/dbraw/zinc/89/60/15/571896015.db2.gz TYUDALMSSFSFOC-WUFINQPMSA-N 0 0 574.548 6.253 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225529613 571896456 /nfs/dbraw/zinc/89/64/56/571896456.db2.gz MSNIDYGFFDPRKA-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225529556 571896491 /nfs/dbraw/zinc/89/64/91/571896491.db2.gz JAHJDOOMPRMQJL-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225529315 571896600 /nfs/dbraw/zinc/89/66/00/571896600.db2.gz TYUDALMSSFSFOC-NSOVKSMOSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225530348 571897171 /nfs/dbraw/zinc/89/71/71/571897171.db2.gz AFEJOIUYYUIZSN-VSGBNLITSA-N 0 0 564.542 6.797 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531787 571898759 /nfs/dbraw/zinc/89/87/59/571898759.db2.gz GZNLMDKICHZVOT-VMPREFPWSA-N 0 0 560.123 6.152 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ncccc1C ZINC000225532217 571898959 /nfs/dbraw/zinc/89/89/59/571898959.db2.gz NQBKPZAORCYJNY-SXOMAYOGSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000225532353 571898972 /nfs/dbraw/zinc/89/89/72/571898972.db2.gz MCVFZHTVBSGMIJ-WUFINQPMSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000225532380 571898985 /nfs/dbraw/zinc/89/89/85/571898985.db2.gz MCVFZHTVBSGMIJ-NSOVKSMOSA-N 0 0 510.667 5.194 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225539749 571904905 /nfs/dbraw/zinc/90/49/05/571904905.db2.gz ZWJDVEGFAMKASH-URLMMPGGSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225542356 571907269 /nfs/dbraw/zinc/90/72/69/571907269.db2.gz BMLZRFGHWCHQFY-IHLOFXLRSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225548084 571911016 /nfs/dbraw/zinc/91/10/16/571911016.db2.gz OVKSSQPUDLSJKD-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000225548587 571911550 /nfs/dbraw/zinc/91/15/50/571911550.db2.gz SXHHBWKNTYOUQZ-ACHIHNKUSA-N 0 0 551.760 6.615 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3CC)c2C)cc1 ZINC000225548755 571911569 /nfs/dbraw/zinc/91/15/69/571911569.db2.gz AQSASPQHQJNDBD-ZWXJPIIXSA-N 0 0 551.760 6.615 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225549624 571912007 /nfs/dbraw/zinc/91/20/07/571912007.db2.gz FEFAJQXSAQYIIS-IHLOFXLRSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225550406 571913234 /nfs/dbraw/zinc/91/32/34/571913234.db2.gz SFEDTXAIDYBPQA-LOYHVIPDSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225551179 571914124 /nfs/dbraw/zinc/91/41/24/571914124.db2.gz BAIZUAVBOLPZOV-AJQTZOPKSA-N 0 0 566.775 6.119 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225551497 571914517 /nfs/dbraw/zinc/91/45/17/571914517.db2.gz BMLFITIYXZRABH-KYJUHHDHSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225552920 571915812 /nfs/dbraw/zinc/91/58/12/571915812.db2.gz KOORTDIAFAYBNO-JSOSNVBQSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000225561730 571923568 /nfs/dbraw/zinc/92/35/68/571923568.db2.gz TZULTSTVVOURSB-FIRIVFDPSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225564547 571926484 /nfs/dbraw/zinc/92/64/84/571926484.db2.gz YOIMMBSWBFTIBU-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225564680 571926851 /nfs/dbraw/zinc/92/68/51/571926851.db2.gz CKXVNKRYTDXAOT-LQJZCPKCSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225569182 571931115 /nfs/dbraw/zinc/93/11/15/571931115.db2.gz HQZZQZKVVDQBAO-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225570033 571931753 /nfs/dbraw/zinc/93/17/53/571931753.db2.gz IEBTUAZJCJJEON-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000225569721 571931792 /nfs/dbraw/zinc/93/17/92/571931792.db2.gz MRCYXRZTORXTGU-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225571601 571932749 /nfs/dbraw/zinc/93/27/49/571932749.db2.gz BEUXEOHXPQKXJL-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225571813 571932931 /nfs/dbraw/zinc/93/29/31/571932931.db2.gz SEJMUNDRHNVUTN-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225571873 571933207 /nfs/dbraw/zinc/93/32/07/571933207.db2.gz DZHOXQZASUOJNS-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225572631 571933475 /nfs/dbraw/zinc/93/34/75/571933475.db2.gz OFTKLQNHKVZNGN-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225572436 571933630 /nfs/dbraw/zinc/93/36/30/571933630.db2.gz FVEUOVVPDRFXLE-IOWSJCHKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225572833 571933956 /nfs/dbraw/zinc/93/39/56/571933956.db2.gz QLJDRNNFMALNAE-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225574774 571935092 /nfs/dbraw/zinc/93/50/92/571935092.db2.gz GYNXTMLRIPNGFT-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000225582279 571941444 /nfs/dbraw/zinc/94/14/44/571941444.db2.gz YCCDGMGXWCKHGO-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225582612 571941624 /nfs/dbraw/zinc/94/16/24/571941624.db2.gz IWVASXGOEMQWKF-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225584717 571943515 /nfs/dbraw/zinc/94/35/15/571943515.db2.gz HMUGXSBYXIRREX-AJQTZOPKSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225590375 571946738 /nfs/dbraw/zinc/94/67/38/571946738.db2.gz BMFUSMCMSPWUQJ-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000225590964 571947095 /nfs/dbraw/zinc/94/70/95/571947095.db2.gz XNRCHGPQPNRLOK-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225590689 571947161 /nfs/dbraw/zinc/94/71/61/571947161.db2.gz SRRIYWLWPZPQHB-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Cl ZINC000225591303 571947424 /nfs/dbraw/zinc/94/74/24/571947424.db2.gz RGJJWLIHZSCQFR-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225593087 571949012 /nfs/dbraw/zinc/94/90/12/571949012.db2.gz MTEGFPONTDHDSP-XZWHSSHBSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1C ZINC000225593626 571949246 /nfs/dbraw/zinc/94/92/46/571949246.db2.gz RVEJBNDTUDDNBC-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225594110 571949586 /nfs/dbraw/zinc/94/95/86/571949586.db2.gz GUTIHICPBLKKOF-FQLXRVMXSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225594339 571949984 /nfs/dbraw/zinc/94/99/84/571949984.db2.gz LHCPXEGSOWCIAI-SMCANUKXSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225595551 571950671 /nfs/dbraw/zinc/95/06/71/571950671.db2.gz IIGUBJGGIUFVHM-IZLXSDGUSA-N 0 0 528.657 5.333 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000225606734 571959280 /nfs/dbraw/zinc/95/92/80/571959280.db2.gz CQWWPYGXCSPRJC-VSGBNLITSA-N 0 0 529.685 5.854 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Br ZINC000225612199 571964146 /nfs/dbraw/zinc/96/41/46/571964146.db2.gz OBKVRYBFNYGUDG-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000225612398 571964224 /nfs/dbraw/zinc/96/42/24/571964224.db2.gz FMQPUHHXCNBTHK-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1O ZINC000225612487 571964254 /nfs/dbraw/zinc/96/42/54/571964254.db2.gz CYTJJVKBAWBSQU-IZLXSDGUSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225612699 571964257 /nfs/dbraw/zinc/96/42/57/571964257.db2.gz CVWIRODEMAWDLP-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000225612344 571964333 /nfs/dbraw/zinc/96/43/33/571964333.db2.gz FMQPUHHXCNBTHK-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225613377 571964638 /nfs/dbraw/zinc/96/46/38/571964638.db2.gz SLWZNZVEJJGSBW-XZWHSSHBSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225613320 571964761 /nfs/dbraw/zinc/96/47/61/571964761.db2.gz SLWZNZVEJJGSBW-LOYHVIPDSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)cc(C)c1 ZINC000225614357 571965577 /nfs/dbraw/zinc/96/55/77/571965577.db2.gz SLMGOJFBKYAALH-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225614805 571966034 /nfs/dbraw/zinc/96/60/34/571966034.db2.gz OVIQDICQLXOJLN-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615314 571966162 /nfs/dbraw/zinc/96/61/62/571966162.db2.gz XNNHHLBYNKVDEB-URLMMPGGSA-N 0 0 578.113 6.292 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000225625121 571976424 /nfs/dbraw/zinc/97/64/24/571976424.db2.gz YFTGVUNPHMUDIT-IHLOFXLRSA-N 0 0 574.194 6.985 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000225625073 571976505 /nfs/dbraw/zinc/97/65/05/571976505.db2.gz GZJCLAHPOHXAIL-IHLOFXLRSA-N 0 0 539.749 6.331 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccn1 ZINC000225625759 571977274 /nfs/dbraw/zinc/97/72/74/571977274.db2.gz FLJXMMUJRQVKRB-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1 ZINC000225628804 571980479 /nfs/dbraw/zinc/98/04/79/571980479.db2.gz RQQFXFZAIMAZRN-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000225628991 571980828 /nfs/dbraw/zinc/98/08/28/571980828.db2.gz MCTCIUGXVXVNSY-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000225628970 571981017 /nfs/dbraw/zinc/98/10/17/571981017.db2.gz MCTCIUGXVXVNSY-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Cl ZINC000225629846 571981992 /nfs/dbraw/zinc/98/19/92/571981992.db2.gz GQJIMSOXWLRRNV-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225631236 571983376 /nfs/dbraw/zinc/98/33/76/571983376.db2.gz MGZSSKPMFINIFX-AJQTZOPKSA-N 0 0 566.775 6.173 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225631465 571983726 /nfs/dbraw/zinc/98/37/26/571983726.db2.gz CEHWYNQKCBQOIQ-XZWHSSHBSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225631968 571984272 /nfs/dbraw/zinc/98/42/72/571984272.db2.gz SPVOBWJCDAFCBW-ZWXJPIIXSA-N 0 0 551.760 6.724 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225639486 571990716 /nfs/dbraw/zinc/99/07/16/571990716.db2.gz XTJJBKVRWIVLKE-JSOSNVBQSA-N 0 0 581.742 5.894 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225639430 571990761 /nfs/dbraw/zinc/99/07/61/571990761.db2.gz YLRGJAPLFOKUHG-CONSDPRKSA-N 0 0 581.742 5.894 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225639463 571990793 /nfs/dbraw/zinc/99/07/93/571990793.db2.gz XTJJBKVRWIVLKE-FIRIVFDPSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225641703 571992181 /nfs/dbraw/zinc/99/21/81/571992181.db2.gz FSJCWEYTUWKNBS-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000225642271 571992313 /nfs/dbraw/zinc/99/23/13/571992313.db2.gz IRIOTUDQAFZJCY-VMPREFPWSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000225643248 571992811 /nfs/dbraw/zinc/99/28/11/571992811.db2.gz UBKAVVFTIAPYJU-WUFINQPMSA-N 0 0 510.667 5.194 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225646909 571995568 /nfs/dbraw/zinc/99/55/68/571995568.db2.gz XNLVRACPSOJPDJ-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225646582 571995643 /nfs/dbraw/zinc/99/56/43/571995643.db2.gz MEQYPTLXUHDRQK-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225647351 571995902 /nfs/dbraw/zinc/99/59/02/571995902.db2.gz PRNMYQYHFPNYDU-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000225647786 571996359 /nfs/dbraw/zinc/99/63/59/571996359.db2.gz WZHDMFIPWGONFM-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225647668 571996502 /nfs/dbraw/zinc/99/65/02/571996502.db2.gz UWBMSXNQXMFNQC-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225647989 571996876 /nfs/dbraw/zinc/99/68/76/571996876.db2.gz VRGDKUMLCLDIBZ-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225649516 571998249 /nfs/dbraw/zinc/99/82/49/571998249.db2.gz VLQKAMFDNNXIKB-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225650279 571998806 /nfs/dbraw/zinc/99/88/06/571998806.db2.gz OTDPRTCIDDGQGH-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650522 571998824 /nfs/dbraw/zinc/99/88/24/571998824.db2.gz KCEBPEVAZOGAEF-LOYHVIPDSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225650312 571998996 /nfs/dbraw/zinc/99/89/96/571998996.db2.gz FDCXFXGOEWZTDF-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ncccc1C ZINC000225650981 571999236 /nfs/dbraw/zinc/99/92/36/571999236.db2.gz KFZADVMPGMWAHS-VSGBNLITSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225651166 571999407 /nfs/dbraw/zinc/99/94/07/571999407.db2.gz NFZIEBVFNDUXMD-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225665087 572008798 /nfs/dbraw/zinc/00/87/98/572008798.db2.gz VFRFHLWLLXNUTI-CZNDPXEESA-N 0 0 575.738 6.652 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225665689 572008995 /nfs/dbraw/zinc/00/89/95/572008995.db2.gz FDWIHGIMRGBQRG-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225665464 572009033 /nfs/dbraw/zinc/00/90/33/572009033.db2.gz GCQDOEQRXRFAFT-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225666038 572009142 /nfs/dbraw/zinc/00/91/42/572009142.db2.gz AQYDMTNNSCXERT-JSOSNVBQSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225666521 572009408 /nfs/dbraw/zinc/00/94/08/572009408.db2.gz GNIJGCDRHGLBRH-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225666760 572009441 /nfs/dbraw/zinc/00/94/41/572009441.db2.gz OGFYFHTVJOZRRB-WDYNHAJCSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225667502 572009879 /nfs/dbraw/zinc/00/98/79/572009879.db2.gz QTCNKJXSASMCGG-WDYNHAJCSA-N 0 0 541.677 5.205 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668374 572010220 /nfs/dbraw/zinc/01/02/20/572010220.db2.gz JWNUXELSCLSRIP-CZNDPXEESA-N 0 0 596.801 6.345 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668467 572010281 /nfs/dbraw/zinc/01/02/81/572010281.db2.gz JWNUXELSCLSRIP-LQJZCPKCSA-N 0 0 596.801 6.345 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225668901 572010843 /nfs/dbraw/zinc/01/08/43/572010843.db2.gz SOTQWBLQZVZDPI-CONSDPRKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225669291 572011213 /nfs/dbraw/zinc/01/12/13/572011213.db2.gz VWRWXJCFILYHLB-KYJUHHDHSA-N 0 0 569.687 5.228 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225670576 572011900 /nfs/dbraw/zinc/01/19/00/572011900.db2.gz MTUUMIWGUBDMGY-URLMMPGGSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225670341 572011951 /nfs/dbraw/zinc/01/19/51/572011951.db2.gz VTLKQQWHZVJSAI-LOYHVIPDSA-N 0 0 600.701 5.416 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225677825 572016781 /nfs/dbraw/zinc/01/67/81/572016781.db2.gz SMOWYRIELZNPBQ-LOYHVIPDSA-N 0 0 583.714 5.286 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000225677547 572016869 /nfs/dbraw/zinc/01/68/69/572016869.db2.gz CPXLMFDHWTYFTC-WUFINQPMSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225677979 572017243 /nfs/dbraw/zinc/01/72/43/572017243.db2.gz BHSPJDXOQVGOJJ-IHLOFXLRSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225680905 572018676 /nfs/dbraw/zinc/01/86/76/572018676.db2.gz GHLGMONVYDEZFF-WDYNHAJCSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C ZINC000225685186 572021692 /nfs/dbraw/zinc/02/16/92/572021692.db2.gz NYAMJAJDNNHLEL-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1F ZINC000225685794 572021991 /nfs/dbraw/zinc/02/19/91/572021991.db2.gz WLOJBSRSSHADLW-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225685704 572022021 /nfs/dbraw/zinc/02/20/21/572022021.db2.gz GHASXFWBVIIUCO-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Cl ZINC000225686009 572022458 /nfs/dbraw/zinc/02/24/58/572022458.db2.gz VOYTZEWEKMHBHA-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225686129 572022892 /nfs/dbraw/zinc/02/28/92/572022892.db2.gz CQCWWIUTDWPXMN-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225686208 572022907 /nfs/dbraw/zinc/02/29/07/572022907.db2.gz CQCWWIUTDWPXMN-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225686744 572023198 /nfs/dbraw/zinc/02/31/98/572023198.db2.gz KLYKMLBQRXPBAK-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225687546 572023922 /nfs/dbraw/zinc/02/39/22/572023922.db2.gz UWFVTFGLYGLDMQ-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689169 572024752 /nfs/dbraw/zinc/02/47/52/572024752.db2.gz VDRPUFMMMKTIIA-XLJNKUFUSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225689342 572024881 /nfs/dbraw/zinc/02/48/81/572024881.db2.gz LJMSYCKJMNGUKN-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ncccc1C ZINC000225689432 572025439 /nfs/dbraw/zinc/02/54/39/572025439.db2.gz RARPUXUEKMOWKY-IZLXSDGUSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225696769 572029185 /nfs/dbraw/zinc/02/91/85/572029185.db2.gz VBTFEBYUPSTSHE-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000225700635 572031719 /nfs/dbraw/zinc/03/17/19/572031719.db2.gz LQWJKYZQOLXGSZ-CONSDPRKSA-N 0 0 546.700 6.039 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1O ZINC000225701725 572032808 /nfs/dbraw/zinc/03/28/08/572032808.db2.gz HAKXQLFCHUJGNV-ROJLCIKYSA-N 0 0 596.156 7.003 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc2ccccc21 ZINC000225703655 572034343 /nfs/dbraw/zinc/03/43/43/572034343.db2.gz BOJHJNAGRPZVQV-ZPGRZCPFSA-N 0 0 595.772 7.797 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(F)(F)F ZINC000225704389 572035298 /nfs/dbraw/zinc/03/52/98/572035298.db2.gz ZHQZXJPNHZWYEC-ZWXJPIIXSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1F ZINC000225704753 572035555 /nfs/dbraw/zinc/03/55/55/572035555.db2.gz ZKDWXEIQNKIUBU-AJQTZOPKSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Br)c1 ZINC000225705533 572035905 /nfs/dbraw/zinc/03/59/05/572035905.db2.gz XWNIBFGIVOMKQF-AJQTZOPKSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1 ZINC000225705179 572035921 /nfs/dbraw/zinc/03/59/21/572035921.db2.gz RIWDFZGOJFHTSJ-AJQTZOPKSA-N 0 0 580.157 7.297 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706130 572036790 /nfs/dbraw/zinc/03/67/90/572036790.db2.gz ZDJQKKSZGCIJNO-JHOUSYSJSA-N 0 0 575.738 6.652 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706102 572036878 /nfs/dbraw/zinc/03/68/78/572036878.db2.gz ZDJQKKSZGCIJNO-SAIUNTKASA-N 0 0 575.738 6.652 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225706893 572037216 /nfs/dbraw/zinc/03/72/16/572037216.db2.gz UIMWWSYNZYMPQT-ROJLCIKYSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cc(C)cc1C ZINC000225707658 572038029 /nfs/dbraw/zinc/03/80/29/572038029.db2.gz CEAGWZJVWADBAH-LRHLLKFHSA-N 0 0 587.793 7.569 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1C ZINC000225707769 572038032 /nfs/dbraw/zinc/03/80/32/572038032.db2.gz WCOMBUPZNOIIAE-LQJZCPKCSA-N 0 0 594.184 7.605 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708321 572038440 /nfs/dbraw/zinc/03/84/40/572038440.db2.gz NALKTWHXTWRATD-JHOUSYSJSA-N 0 0 610.183 7.306 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ncccc1C ZINC000225708771 572038900 /nfs/dbraw/zinc/03/89/00/572038900.db2.gz GFEYGCIYIADRRZ-IOWSJCHKSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccn1 ZINC000225708613 572038944 /nfs/dbraw/zinc/03/89/44/572038944.db2.gz PFRXOCCXFRQBAI-ROJLCIKYSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)n1-c1ccccc1 ZINC000225715291 572043838 /nfs/dbraw/zinc/04/38/38/572043838.db2.gz BHYNFPPCKVOXSD-IOWSJCHKSA-N 0 0 531.685 6.335 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)n1-c1ccccc1 ZINC000225715242 572043885 /nfs/dbraw/zinc/04/38/85/572043885.db2.gz BHYNFPPCKVOXSD-FIRIVFDPSA-N 0 0 531.685 6.335 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000225750346 572060870 /nfs/dbraw/zinc/06/08/70/572060870.db2.gz CJSPRRDZMYGHAR-FQEVSTJZSA-N 0 0 507.681 5.141 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000225806027 572072584 /nfs/dbraw/zinc/07/25/84/572072584.db2.gz VEKXQAAKTGWQOK-IBGZPJMESA-N 0 0 542.126 5.795 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000408526674 572158462 /nfs/dbraw/zinc/15/84/62/572158462.db2.gz BYMAIMHMAGNVJX-WQRHYEAKSA-N 0 0 568.225 5.080 40 10 KKCBRN COc1cc(N2N=C(C)C(=CNc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)ccc1Cl ZINC000408527597 572160800 /nfs/dbraw/zinc/16/08/00/572160800.db2.gz DRJBMZCIGBAEAK-HAHDFKILSA-N 0 0 525.030 5.485 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408528151 572163193 /nfs/dbraw/zinc/16/31/93/572163193.db2.gz CSGFGXPKJSUQRL-CHHVJCJISA-N 0 0 504.895 5.947 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2SC(=S)NC2=O)c1 ZINC000408531161 572174345 /nfs/dbraw/zinc/17/43/45/572174345.db2.gz ONZUTFSEAUAQNV-CHHVJCJISA-N 0 0 542.274 5.026 40 10 KKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000408531586 572176701 /nfs/dbraw/zinc/17/67/01/572176701.db2.gz KUDXGVRGMVPOJE-QINSGFPZSA-N 0 0 533.847 5.156 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1 ZINC000408532156 572178535 /nfs/dbraw/zinc/17/85/35/572178535.db2.gz NKKXQIWLXABCIU-MTJSOVHGSA-N 0 0 532.937 7.968 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408532165 572178671 /nfs/dbraw/zinc/17/86/71/572178671.db2.gz SOPHFMWLFXMWCO-NSIKDUERSA-N 0 0 564.118 6.042 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408533135 572182216 /nfs/dbraw/zinc/18/22/16/572182216.db2.gz XBWNOGUERQKPOC-YVLHZVERSA-N 0 0 511.406 5.066 40 10 KKCBRN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408534440 572186180 /nfs/dbraw/zinc/18/61/80/572186180.db2.gz QVWSGFCSUMQSHA-PYCFMQQDSA-N 0 0 590.515 5.229 40 10 KKCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408536277 572190535 /nfs/dbraw/zinc/19/05/35/572190535.db2.gz VRPTYRZSZMORMR-XYGWBWBKSA-N 0 0 503.046 6.544 40 10 KKCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408537159 572193643 /nfs/dbraw/zinc/19/36/43/572193643.db2.gz CIEWXGZTUFHBRB-UHFFFAOYSA-N 0 0 533.024 6.891 40 10 KKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408537246 572193715 /nfs/dbraw/zinc/19/37/15/572193715.db2.gz ZSWXMXCEEWCAMU-FXBPSFAMSA-N 0 0 624.960 5.882 40 10 KKCBRN CCOc1cc(COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408537614 572195827 /nfs/dbraw/zinc/19/58/27/572195827.db2.gz GIMNMQXVNHIMII-UHFFFAOYSA-N 0 0 703.589 8.589 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538505 572198523 /nfs/dbraw/zinc/19/85/23/572198523.db2.gz NZXUFWILXADQIL-UHFFFAOYSA-N 0 0 646.357 5.683 40 10 KKCBRN COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408539642 572202961 /nfs/dbraw/zinc/20/29/61/572202961.db2.gz JALBFCHWXXXCHR-USHMODERSA-N 0 0 539.031 7.313 40 10 KKCBRN CCOc1cc(COc2ccccc2/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540316 572205474 /nfs/dbraw/zinc/20/54/74/572205474.db2.gz PZEAMEYFAQSTDX-WGOQTCKBSA-N 0 0 502.592 5.350 40 10 KKCBRN COC(=O)c1cccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408543098 572212298 /nfs/dbraw/zinc/21/22/98/572212298.db2.gz OVDWNBWCRMACKB-UHFFFAOYSA-N 0 0 555.590 6.060 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550685 572234708 /nfs/dbraw/zinc/23/47/08/572234708.db2.gz GHTUYSUPNFOIOQ-GIDUJCDVSA-N 0 0 595.267 5.113 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551505 572236146 /nfs/dbraw/zinc/23/61/46/572236146.db2.gz LHOIJHPIUSIUDH-JAIQZWGSSA-N 0 0 558.849 6.869 40 10 KKCBRN O=C(COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552883 572239530 /nfs/dbraw/zinc/23/95/30/572239530.db2.gz LKQNXYUINOXMOE-HAHDFKILSA-N 0 0 621.318 7.608 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552946 572239659 /nfs/dbraw/zinc/23/96/59/572239659.db2.gz SQFFROGBGRZWDX-GIDUJCDVSA-N 0 0 503.816 5.162 40 10 KKCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408553691 572241006 /nfs/dbraw/zinc/24/10/06/572241006.db2.gz PCCHRNQJHYGBEA-GIDUJCDVSA-N 0 0 518.241 5.262 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554969 572242338 /nfs/dbraw/zinc/24/23/38/572242338.db2.gz UTNOOGRKIYREJP-GRSHGNNSSA-N 0 0 544.822 6.479 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000408571216 572256939 /nfs/dbraw/zinc/25/69/39/572256939.db2.gz AGRWFDUZARZCRI-ULJHMMPZSA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)SC2=S)cc1 ZINC000408571212 572256954 /nfs/dbraw/zinc/25/69/54/572256954.db2.gz AETRYIHMPXHBFV-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1cccc(Cl)c1Cl ZINC000408571524 572257162 /nfs/dbraw/zinc/25/71/62/572257162.db2.gz BNSMMCIDRRTGIP-JCMHNJIXSA-N 0 0 543.497 6.455 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c(C)c1 ZINC000408571611 572257248 /nfs/dbraw/zinc/25/72/48/572257248.db2.gz BXMAEIKMRZYWIK-UCQKPKSFSA-N 0 0 506.624 6.174 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(OC)c3)SC2=S)cc1 ZINC000408572451 572257941 /nfs/dbraw/zinc/25/79/41/572257941.db2.gz HCHNXKDSURWUIC-UCQKPKSFSA-N 0 0 506.605 5.127 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408573204 572258608 /nfs/dbraw/zinc/25/86/08/572258608.db2.gz JACWYLABPCXJSW-FMCGGJTJSA-N 0 0 559.496 6.421 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3C)SC2=S)cc1 ZINC000408573207 572258619 /nfs/dbraw/zinc/25/86/19/572258619.db2.gz JAOBDWYYPLFONM-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000408573809 572259160 /nfs/dbraw/zinc/25/91/60/572259160.db2.gz KSHLHAPOGJBLRA-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408573785 572259194 /nfs/dbraw/zinc/25/91/94/572259194.db2.gz KMBRTKNRUJJJMA-XYGWBWBKSA-N 0 0 611.583 6.536 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408574773 572259879 /nfs/dbraw/zinc/25/98/79/572259879.db2.gz MRNDPHDVVFVOBN-RMORIDSASA-N 0 0 593.941 7.469 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000408574788 572260019 /nfs/dbraw/zinc/26/00/19/572260019.db2.gz MSOXKVWAQIGOAZ-YVNNLAQVSA-N 0 0 529.470 6.412 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3CC)SC2=S)cc1 ZINC000408574895 572260023 /nfs/dbraw/zinc/26/00/23/572260023.db2.gz FWOHGRMKOGCTDW-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408575285 572260379 /nfs/dbraw/zinc/26/03/79/572260379.db2.gz IVQHXCLXUKZDPI-UQQQWYQISA-N 0 0 534.659 5.907 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000408575434 572260451 /nfs/dbraw/zinc/26/04/51/572260451.db2.gz OHBBKGFGNNCRTC-JLPGSUDCSA-N 0 0 567.530 6.219 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000408575921 572260885 /nfs/dbraw/zinc/26/08/85/572260885.db2.gz OWBWOBCCXXVEFS-XKZIYDEJSA-N 0 0 619.946 6.543 40 10 KKCBRN COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000408576014 572260980 /nfs/dbraw/zinc/26/09/80/572260980.db2.gz PINIIAAWHKSAAF-JLPGSUDCSA-N 0 0 504.633 5.157 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1C ZINC000408576129 572261021 /nfs/dbraw/zinc/26/10/21/572261021.db2.gz PUCCUPZWLSRDCQ-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3C)SC2=S)cc1 ZINC000408576663 572261392 /nfs/dbraw/zinc/26/13/92/572261392.db2.gz QIBXFQSOSIDOGE-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4C)c(OC)c3)SC2=S)cc1 ZINC000408577211 572261910 /nfs/dbraw/zinc/26/19/10/572261910.db2.gz RXCBVOMARVIVDM-OYKKKHCWSA-N 0 0 599.528 6.198 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000408577674 572262233 /nfs/dbraw/zinc/26/22/33/572262233.db2.gz UFPAKXDYQBZTJZ-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408578258 572262816 /nfs/dbraw/zinc/26/28/16/572262816.db2.gz WXPOBFUXCFJZGJ-OYKKKHCWSA-N 0 0 539.078 6.076 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408578854 572263343 /nfs/dbraw/zinc/26/33/43/572263343.db2.gz ZWCYATDVPHGFAR-MYYYXRDXSA-N 0 0 611.583 6.884 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408601505 572272896 /nfs/dbraw/zinc/27/28/96/572272896.db2.gz KILHZGQARVWPCR-DJKKODMXSA-N 0 0 512.436 5.738 40 10 KKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000408603092 572273458 /nfs/dbraw/zinc/27/34/58/572273458.db2.gz QBEIVZCKYPQVAB-LSCVHKIXSA-N 0 0 517.297 7.197 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)c1 ZINC000408605946 572274584 /nfs/dbraw/zinc/27/45/84/572274584.db2.gz ZLUHVSVFXCVQJT-UUYOSTAYSA-N 0 0 502.057 7.186 40 10 KKCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2nc(-c3ccc(Cl)cc3)cs2)SC1=S ZINC000256055668 572305278 /nfs/dbraw/zinc/30/52/78/572305278.db2.gz PBUIWKZXNCRDBO-PQDCBLBRSA-N 0 0 530.096 5.752 40 10 KKCBRN Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1C ZINC000408662501 572309601 /nfs/dbraw/zinc/30/96/01/572309601.db2.gz DWRTUMPXIMCRKX-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408663352 572310071 /nfs/dbraw/zinc/31/00/71/572310071.db2.gz HYCQCAVFBZTPPN-UHFFFAOYSA-N 0 0 538.644 7.048 40 10 KKCBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408666036 572311755 /nfs/dbraw/zinc/31/17/55/572311755.db2.gz NJXSBEXEBTZYAN-UHFFFAOYSA-N 0 0 568.626 6.490 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408667780 572312953 /nfs/dbraw/zinc/31/29/53/572312953.db2.gz QYPBWPIHPXUNBI-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408668995 572313745 /nfs/dbraw/zinc/31/37/45/572313745.db2.gz VJVVLSXBIJMRJM-UHFFFAOYSA-N 0 0 540.572 5.709 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408670371 572314688 /nfs/dbraw/zinc/31/46/88/572314688.db2.gz ZRQVNMVGXKKWCN-UHFFFAOYSA-N 0 0 584.978 7.595 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260567483 572322608 /nfs/dbraw/zinc/32/26/08/572322608.db2.gz LNJRHJGNUYGCML-NSTHGIQOSA-N 0 0 512.075 6.516 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000260717959 572323575 /nfs/dbraw/zinc/32/35/75/572323575.db2.gz QIRRGBOXQYULPD-FGZHOGPDSA-N 0 0 507.752 5.179 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000260717970 572323591 /nfs/dbraw/zinc/32/35/91/572323591.db2.gz QIRRGBOXQYULPD-VXKWHMMOSA-N 0 0 507.752 5.179 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000260724268 572323944 /nfs/dbraw/zinc/32/39/44/572323944.db2.gz YPOIZBRXNSLGNX-QHCPKHFHSA-N 0 0 541.769 5.362 40 10 KKCBRN C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260737633 572324569 /nfs/dbraw/zinc/32/45/69/572324569.db2.gz MRPDAPMQVLHZSI-GOTSBHOMSA-N 0 0 513.751 7.499 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687378 1069707208 /nfs/dbraw/zinc/70/72/08/1069707208.db2.gz PVKHKFBWMIKMOF-UQRQXUALSA-N 0 0 577.754 6.506 40 10 KKCBRN COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)c(C(F)(F)F)c3)SC2=S)cc1OC ZINC000102581261 1069704852 /nfs/dbraw/zinc/70/48/52/1069704852.db2.gz FEEANTKGJYFFKD-WOJGMQOQSA-N 0 0 502.967 5.732 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1Cl ZINC000102681381 1069706085 /nfs/dbraw/zinc/70/60/85/1069706085.db2.gz LWKDQQZIBGUUGL-PXLXIMEGSA-N 0 0 514.072 5.829 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000102686944 1069706648 /nfs/dbraw/zinc/70/66/48/1069706648.db2.gz FTKPFOBZCHDZNM-SGWCAAJKSA-N 0 0 539.726 7.162 40 10 KKCBRN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000103822804 1069714256 /nfs/dbraw/zinc/71/42/56/1069714256.db2.gz BSCVJEGGPBRALG-ZTKZIYFRSA-N 0 0 545.668 6.074 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 ZINC000408761995 1069738346 /nfs/dbraw/zinc/73/83/46/1069738346.db2.gz IWBQANKVQXLYIR-CPNJWEJPSA-N 0 0 509.812 6.857 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879980 1069748692 /nfs/dbraw/zinc/74/86/92/1069748692.db2.gz IATUJEWAOHPJLF-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)(C)C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408932717 1069757734 /nfs/dbraw/zinc/75/77/34/1069757734.db2.gz DQXOMSSZPZPYMG-SSZLPGGOSA-N 0 0 613.780 5.521 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000408945760 1069760955 /nfs/dbraw/zinc/76/09/55/1069760955.db2.gz XEFHRHZHZRTVBI-LPYMAVHISA-N 0 0 519.395 5.787 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1ccccc1 ZINC000408971210 1069764627 /nfs/dbraw/zinc/76/46/27/1069764627.db2.gz DPGIUCHZCDPYNA-UNOMPAQXSA-N 0 0 531.328 6.385 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)N(C)C2=S)cc1 ZINC000409132707 1069784118 /nfs/dbraw/zinc/78/41/18/1069784118.db2.gz KNYYOEYIAGXXED-CEUNXORHSA-N 0 0 584.723 7.157 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409135629 1069786654 /nfs/dbraw/zinc/78/66/54/1069786654.db2.gz PXNBYOAHHSURBL-DICXZTSXSA-N 0 0 594.531 5.921 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409137377 1069787824 /nfs/dbraw/zinc/78/78/24/1069787824.db2.gz WVLFZWAETJQUJK-IWIPYMOSSA-N 0 0 535.488 6.889 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409137595 1069788432 /nfs/dbraw/zinc/78/84/32/1069788432.db2.gz YLLLNJGWPHWEDT-FMCGGJTJSA-N 0 0 523.452 6.997 40 10 KKCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)C2=O)cc1 ZINC000409177484 1069796328 /nfs/dbraw/zinc/79/63/28/1069796328.db2.gz FVBJABRBWFYVTR-MTDXEUNCSA-N 0 0 543.689 6.349 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409222658 1069801368 /nfs/dbraw/zinc/80/13/68/1069801368.db2.gz CSHSAYPAXHBTEE-QFEZKATASA-N 0 0 553.105 6.697 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Br)cc1 ZINC000408760811 1069853560 /nfs/dbraw/zinc/85/35/60/1069853560.db2.gz ACPOILHVWOQTDN-PXLXIMEGSA-N 0 0 526.228 6.445 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408769864 1069877892 /nfs/dbraw/zinc/87/78/92/1069877892.db2.gz QADRNMYTQSHYKE-SOJUGJLBSA-N 0 0 661.452 7.796 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408774712 1069890258 /nfs/dbraw/zinc/89/02/58/1069890258.db2.gz CSFSPCJRGUSQLR-RDRPBHBLSA-N 0 0 540.461 7.242 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000408782918 1069908295 /nfs/dbraw/zinc/90/82/95/1069908295.db2.gz IRNCDJRKLUZSGP-MYKKPKGFSA-N 0 0 529.851 7.322 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408783033 1069909250 /nfs/dbraw/zinc/90/92/50/1069909250.db2.gz JMFFNXNIRLQJFA-CCPXZDFDSA-N 0 0 510.590 5.128 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785558 1069914643 /nfs/dbraw/zinc/91/46/43/1069914643.db2.gz ZRPNMLSAVIBNLJ-KUSDHMTMSA-N 0 0 622.678 5.390 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)S2)cc1 ZINC000408787402 1069924464 /nfs/dbraw/zinc/92/44/64/1069924464.db2.gz ZKBQXXWFTHNUAY-DDIUQFJASA-N 0 0 544.120 7.489 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408801385 1069939452 /nfs/dbraw/zinc/93/94/52/1069939452.db2.gz AIXUAWKVWSQBLJ-PSWHWQHESA-N 0 0 519.134 8.110 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408805873 1069955032 /nfs/dbraw/zinc/95/50/32/1069955032.db2.gz LYWINUBXQCVYHS-SVDFDBNESA-N 0 0 526.770 8.446 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)S2)cc1 ZINC000408823408 1069987666 /nfs/dbraw/zinc/98/76/66/1069987666.db2.gz DFWHUQLUWGVYCY-HVDVVURSSA-N 0 0 509.675 6.835 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408837443 1070030162 /nfs/dbraw/zinc/03/01/62/1070030162.db2.gz FLTSVIQCSZEBBZ-YMSBRDKKSA-N 0 0 620.480 6.055 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408842192 1070045679 /nfs/dbraw/zinc/04/56/79/1070045679.db2.gz NRHPEBPJGCHTHQ-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408847110 1070055781 /nfs/dbraw/zinc/05/57/81/1070055781.db2.gz LMRFKKWSEIRFAB-ZCTHSVRISA-N 0 0 647.149 6.518 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408848541 1070060816 /nfs/dbraw/zinc/06/08/16/1070060816.db2.gz QYSPUYHSFWQKMJ-UZWMFBFFSA-N 0 0 689.186 6.686 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(F)cc1 ZINC000408850528 1070064078 /nfs/dbraw/zinc/06/40/78/1070064078.db2.gz BKKZXEHVUDFGFZ-LPYMAVHISA-N 0 0 509.375 6.372 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000408858236 1070069511 /nfs/dbraw/zinc/06/95/11/1070069511.db2.gz QXAPQSSBSAJAAN-FUAQWRKOSA-N 0 0 616.787 6.297 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408865917 1070084372 /nfs/dbraw/zinc/08/43/72/1070084372.db2.gz DUIFDBJTCKRNOA-NDZAJKAJSA-N 0 0 651.568 7.245 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Cc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408864936 1070081611 /nfs/dbraw/zinc/08/16/11/1070081611.db2.gz ADQSMQHUJKGPJX-UHFFFAOYSA-N 0 0 510.952 6.653 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408867013 1070086654 /nfs/dbraw/zinc/08/66/54/1070086654.db2.gz IJNZPUBJEGAXTR-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408867434 1070087396 /nfs/dbraw/zinc/08/73/96/1070087396.db2.gz KTPCXFJTQPIAPC-ZCTHSVRISA-N 0 0 665.595 7.553 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000408868289 1070089191 /nfs/dbraw/zinc/08/91/91/1070089191.db2.gz LRJAQOKRRIQTIT-MFOYZWKCSA-N 0 0 528.350 5.209 40 10 KKCBRN O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Br)c1 ZINC000408868550 1070089236 /nfs/dbraw/zinc/08/92/36/1070089236.db2.gz PFWUYPZPUCZVRP-VXLYETTFSA-N 0 0 574.656 6.122 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408868220 1070089434 /nfs/dbraw/zinc/08/94/34/1070089434.db2.gz NEJHBBUQNFKZHQ-UHFFFAOYSA-N 0 0 510.952 6.653 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408869711 1070091885 /nfs/dbraw/zinc/09/18/85/1070091885.db2.gz QOBONHJXDFYVHC-UHFFFAOYSA-N 0 0 611.492 7.319 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408875286 1070092676 /nfs/dbraw/zinc/09/26/76/1070092676.db2.gz IRJKTBPCNWNXTE-OGLMXYFKSA-N 0 0 686.013 7.817 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408871381 1070095792 /nfs/dbraw/zinc/09/57/92/1070095792.db2.gz ZINGHXOSOGLKCV-UHFFFAOYSA-N 0 0 526.951 6.642 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1F ZINC000408873122 1070098699 /nfs/dbraw/zinc/09/86/99/1070098699.db2.gz NGQSDCWHJBEBNN-WOJGMQOQSA-N 0 0 548.195 6.152 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408878304 1070114319 /nfs/dbraw/zinc/11/43/19/1070114319.db2.gz ZYWSPJHMXDLMEB-CIAFOILYSA-N 0 0 506.961 5.752 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408876608 1070110281 /nfs/dbraw/zinc/11/02/81/1070110281.db2.gz PHXCXSZOUCUQNC-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408877210 1070111189 /nfs/dbraw/zinc/11/11/89/1070111189.db2.gz SVCQCYVLKDTSHW-UHFFFAOYSA-N 0 0 562.691 7.029 40 10 KKCBRN CCOc1cc(I)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408878765 1070116014 /nfs/dbraw/zinc/11/60/14/1070116014.db2.gz AVKPPXSGYMKUPW-UHFFFAOYSA-N 0 0 554.409 5.438 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408884809 1070119194 /nfs/dbraw/zinc/11/91/94/1070119194.db2.gz ZZCOOLZLAARWDK-UHFFFAOYSA-N 0 0 628.435 6.528 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408886179 1070135395 /nfs/dbraw/zinc/13/53/95/1070135395.db2.gz IRSCWFXPJXNABD-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902070 1070157598 /nfs/dbraw/zinc/15/75/98/1070157598.db2.gz KFCWPKDIYOHHGT-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408901872 1070169264 /nfs/dbraw/zinc/16/92/64/1070169264.db2.gz IEKCQAMJYFOXTI-MOSHPQCFSA-N 0 0 516.429 6.105 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408901675 1070169283 /nfs/dbraw/zinc/16/92/83/1070169283.db2.gz HCLZKBNJKUOZOW-FYJGNVAPSA-N 0 0 539.329 5.585 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408901912 1070170235 /nfs/dbraw/zinc/17/02/35/1070170235.db2.gz ISZVTZGUMPQXIN-CIAFOILYSA-N 0 0 522.355 5.751 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408904130 1070177504 /nfs/dbraw/zinc/17/75/04/1070177504.db2.gz FFBGXRUDQIWBKG-CIAFOILYSA-N 0 0 538.373 5.420 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902460 1070183507 /nfs/dbraw/zinc/18/35/07/1070183507.db2.gz OAVBFJODPVDMEF-HYARGMPZSA-N 0 0 571.474 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408902720 1070184141 /nfs/dbraw/zinc/18/41/41/1070184141.db2.gz QJZXGEXBXCLKPK-WSDLNYQXSA-N 0 0 642.367 7.982 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(C)c2)c(I)c1 ZINC000408903108 1070185651 /nfs/dbraw/zinc/18/56/51/1070185651.db2.gz UOTARXGMNYEKRS-CIAFOILYSA-N 0 0 587.255 6.747 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903107 1070185675 /nfs/dbraw/zinc/18/56/75/1070185675.db2.gz UOAYFPDXFBUKSW-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408903509 1070187136 /nfs/dbraw/zinc/18/71/36/1070187136.db2.gz YWZMZCGOSOZQFA-KEBDBYFISA-N 0 0 541.308 8.285 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408926262 1070238301 /nfs/dbraw/zinc/23/83/01/1070238301.db2.gz LZCLAHLZVMZFQT-SZYVSPPHSA-N 0 0 657.019 6.404 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408924978 1070243456 /nfs/dbraw/zinc/24/34/56/1070243456.db2.gz RZDSQGPFWDPWNO-FUFNRSNVSA-N 0 0 602.738 5.224 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000408927378 1070246587 /nfs/dbraw/zinc/24/65/87/1070246587.db2.gz WHOIMRQKAIDPDJ-AYKFIEGGSA-N 0 0 588.733 5.680 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408928049 1070249675 /nfs/dbraw/zinc/24/96/75/1070249675.db2.gz VBNBYIDIVSDETH-UTAOYMJKSA-N 0 0 590.749 5.176 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408928574 1070252149 /nfs/dbraw/zinc/25/21/49/1070252149.db2.gz CTIHPUFFUKADIC-BUVRLJJBSA-N 0 0 500.396 6.103 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408935320 1070272911 /nfs/dbraw/zinc/27/29/11/1070272911.db2.gz CSLZWCIOXCEUBS-HYARGMPZSA-N 0 0 509.787 6.123 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408936602 1070277148 /nfs/dbraw/zinc/27/71/48/1070277148.db2.gz GXUCHSXJGZCUCS-YZSQISJMSA-N 0 0 525.402 6.623 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408941516 1070289378 /nfs/dbraw/zinc/28/93/78/1070289378.db2.gz WULMYERUFZZKGT-LPYMAVHISA-N 0 0 645.291 6.473 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408943483 1070305124 /nfs/dbraw/zinc/30/51/24/1070305124.db2.gz SJAVWHLDSIWITQ-KEBDBYFISA-N 0 0 574.258 6.785 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000408960864 1070323443 /nfs/dbraw/zinc/32/34/43/1070323443.db2.gz OYPHAGXIQFVGGI-MOSHPQCFSA-N 0 0 500.418 5.033 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)c2C)c1 ZINC000408966848 1070331993 /nfs/dbraw/zinc/33/19/93/1070331993.db2.gz OMKNIKBBZHLQJB-MYYYXRDXSA-N 0 0 531.634 5.563 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)c2C)c1 ZINC000408967775 1070333230 /nfs/dbraw/zinc/33/32/30/1070333230.db2.gz USSWQEQMNXWFEI-QRVIBDJDSA-N 0 0 538.025 5.599 40 10 KKCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408978182 1070338094 /nfs/dbraw/zinc/33/80/94/1070338094.db2.gz KZTOHMRWWDTZSM-IDUWFGFVSA-N 0 0 577.227 5.292 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3C)C2=O)cc1Br ZINC000408985794 1070347137 /nfs/dbraw/zinc/34/71/37/1070347137.db2.gz NIKJRDUBCCEUHB-RCCKNPSSSA-N 0 0 518.407 6.414 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408984295 1070352873 /nfs/dbraw/zinc/35/28/73/1070352873.db2.gz GKDOZOQPEFTZHF-LDADJPATSA-N 0 0 515.234 7.626 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408992564 1070356530 /nfs/dbraw/zinc/35/65/30/1070356530.db2.gz UDANBSLQYZQZRW-NDEPHWFRSA-N 0 0 527.694 5.654 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c(OC)c1 ZINC000408995663 1070364020 /nfs/dbraw/zinc/36/40/20/1070364020.db2.gz MUIRINDBYYZELR-CTVOUCONSA-N 0 0 550.702 5.825 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCc2cccc3ccccc32)N1 ZINC000408992253 1070360108 /nfs/dbraw/zinc/36/01/08/1070360108.db2.gz SOCRMLFWTHZKBF-LJAQVGFWSA-N 0 0 506.675 6.752 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)sc2=N1 ZINC000408989001 1070361838 /nfs/dbraw/zinc/36/18/38/1070361838.db2.gz GKFIELCJQGRQHM-WJTYMRCSSA-N 0 0 794.940 7.094 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000408995001 1070371478 /nfs/dbraw/zinc/37/14/78/1070371478.db2.gz KKOMQNFUJPXPRB-CLCZQPDDSA-N 0 0 535.647 5.716 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)c1 ZINC000408998022 1070372559 /nfs/dbraw/zinc/37/25/59/1070372559.db2.gz PYAVZXWDAUMVLD-OEAKJJBVSA-N 0 0 568.436 5.318 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1C ZINC000408998168 1070372705 /nfs/dbraw/zinc/37/27/05/1070372705.db2.gz ALSFSJDMSGCCOD-WOJGMQOQSA-N 0 0 513.438 5.641 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409001800 1070377413 /nfs/dbraw/zinc/37/74/13/1070377413.db2.gz KOBXFLUXELJEBL-JLPGSUDCSA-N 0 0 589.536 7.558 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001908 1070378079 /nfs/dbraw/zinc/37/80/79/1070378079.db2.gz XSTNKEMZXMCLHJ-SWBDNCPRSA-N 0 0 680.668 7.229 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409001946 1070378354 /nfs/dbraw/zinc/37/83/54/1070378354.db2.gz RDAXDLJQVWUDGN-PQNXSAFSSA-N 0 0 658.220 6.858 40 10 KKCBRN O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409002468 1070379244 /nfs/dbraw/zinc/37/92/44/1070379244.db2.gz NPWLOMIAJYAFPZ-FFTPNAHUSA-N 0 0 536.588 6.469 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409006230 1070382041 /nfs/dbraw/zinc/38/20/41/1070382041.db2.gz IFEFBASXSBRTMM-JLKMOJGBSA-N 0 0 569.727 5.221 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409012539 1070390595 /nfs/dbraw/zinc/39/05/95/1070390595.db2.gz KDRPNXSQHZOOKO-VFCFBJKWSA-N 0 0 635.742 6.477 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c1C)CCCC2 ZINC000409017312 1070392055 /nfs/dbraw/zinc/39/20/55/1070392055.db2.gz YPWHGOMMCWTVPS-HZHRSRAPSA-N 0 0 560.676 5.051 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409017975 1070392250 /nfs/dbraw/zinc/39/22/50/1070392250.db2.gz GUWCFGRULBVTPJ-ITYLOYPMSA-N 0 0 528.649 5.643 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409018314 1070392975 /nfs/dbraw/zinc/39/29/75/1070392975.db2.gz UIPAZHBPYFBUQD-ZTKZIYFRSA-N 0 0 529.665 6.797 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409016372 1070396737 /nfs/dbraw/zinc/39/67/37/1070396737.db2.gz HTAVTQQHRVAHIQ-YUEMOGKHSA-N 0 0 648.829 6.214 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000409023270 1070400644 /nfs/dbraw/zinc/40/06/44/1070400644.db2.gz WFSCOPOUPXKLMZ-UQQQWYQISA-N 0 0 527.573 5.328 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021432 1070398436 /nfs/dbraw/zinc/39/84/36/1070398436.db2.gz HEZZNSJBADONDP-UAMLYEQYSA-N 0 0 583.710 5.023 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409022046 1070398832 /nfs/dbraw/zinc/39/88/32/1070398832.db2.gz CYGIHYHBASZDOH-STBIYBPSSA-N 0 0 552.606 5.652 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409022018 1070399196 /nfs/dbraw/zinc/39/91/96/1070399196.db2.gz CDVVSTXTWBRZCD-JLKMOJGBSA-N 0 0 569.727 5.301 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409023777 1070401412 /nfs/dbraw/zinc/40/14/12/1070401412.db2.gz PFWQSJKDOJMGHG-OGMUYLFESA-N 0 0 627.763 5.090 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409019398 1070403212 /nfs/dbraw/zinc/40/32/12/1070403212.db2.gz RZQSYUWKIKHGBM-UQQQWYQISA-N 0 0 518.407 6.295 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409033791 1070424620 /nfs/dbraw/zinc/42/46/20/1070424620.db2.gz LTCPPWKXCZDVMB-JAIQZWGSSA-N 0 0 571.477 6.265 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409029722 1070426048 /nfs/dbraw/zinc/42/60/48/1070426048.db2.gz ARCJIMYQYHPFRP-VGOFMYFVSA-N 0 0 616.178 7.292 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409034955 1070433453 /nfs/dbraw/zinc/43/34/53/1070433453.db2.gz IOKFPHNXODRTIF-XIHDXPBISA-N 0 0 703.486 7.064 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409041971 1070445832 /nfs/dbraw/zinc/44/58/32/1070445832.db2.gz LPHQHVIOMURSAL-UHFFFAOYSA-N 0 0 622.302 7.918 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000409042823 1070448085 /nfs/dbraw/zinc/44/80/85/1070448085.db2.gz CWPLEIICLPJGIR-VGOFMYFVSA-N 0 0 648.753 7.034 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409043776 1070450359 /nfs/dbraw/zinc/45/03/59/1070450359.db2.gz FMADVISSJCEDRE-KEQCBNTKSA-N 0 0 566.510 5.513 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409045151 1070453156 /nfs/dbraw/zinc/45/31/56/1070453156.db2.gz FRNJTLDRJRHIKT-GIJQJNRQSA-N 0 0 606.654 5.816 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)SC2=S)cc1 ZINC000409052570 1070456112 /nfs/dbraw/zinc/45/61/12/1070456112.db2.gz KKVBQNRGLGHXIK-UUYOSTAYSA-N 0 0 762.270 7.947 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409046971 1070457884 /nfs/dbraw/zinc/45/78/84/1070457884.db2.gz LSPOFOWAMFSWEA-VIZOYTHASA-N 0 0 648.753 7.034 40 10 KKCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409048217 1070460870 /nfs/dbraw/zinc/46/08/70/1070460870.db2.gz RNBAMVMZOXEKQZ-DJKKODMXSA-N 0 0 550.225 6.854 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000409050214 1070464478 /nfs/dbraw/zinc/46/44/78/1070464478.db2.gz SNYKEVOJGDDHGN-GHXNOFRVSA-N 0 0 542.214 6.119 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409058878 1070471435 /nfs/dbraw/zinc/47/14/35/1070471435.db2.gz ZAMPEPRCGTUAIR-OYKKKHCWSA-N 0 0 588.976 7.790 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409059243 1070472255 /nfs/dbraw/zinc/47/22/55/1070472255.db2.gz VQWZHGQGAZZIBD-CIAFOILYSA-N 0 0 516.222 7.141 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409061095 1070486817 /nfs/dbraw/zinc/48/68/17/1070486817.db2.gz VCUJQADDMCWAMR-YSMPRRRNSA-N 0 0 503.042 7.057 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061275 1070486827 /nfs/dbraw/zinc/48/68/27/1070486827.db2.gz CJSFWXLPTMVQHX-AFPJDJCSSA-N 0 0 545.850 6.940 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076491 1070490927 /nfs/dbraw/zinc/49/09/27/1070490927.db2.gz AWTRUECHEWKMIS-JLPGSUDCSA-N 0 0 533.842 8.060 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000409077746 1070493790 /nfs/dbraw/zinc/49/37/90/1070493790.db2.gz FZMDYDSPAPAKGR-UQQQWYQISA-N 0 0 526.995 7.291 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409080281 1070502004 /nfs/dbraw/zinc/50/20/04/1070502004.db2.gz MRABQOYUWVRGDS-UHFFFAOYSA-N 0 0 668.396 8.092 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC1=S ZINC000409081348 1070504214 /nfs/dbraw/zinc/50/42/14/1070504214.db2.gz KLSFBHMRYUSYPK-YVLHZVERSA-N 0 0 555.248 5.166 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409082991 1070507876 /nfs/dbraw/zinc/50/78/76/1070507876.db2.gz RPTNODBXTHMERV-UZQMFHLOSA-N 0 0 568.942 6.460 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084512 1070510072 /nfs/dbraw/zinc/51/00/72/1070510072.db2.gz XKUKJEKDXRETQA-HAHDFKILSA-N 0 0 606.289 7.764 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc(Cl)c1 ZINC000409093255 1070517580 /nfs/dbraw/zinc/51/75/80/1070517580.db2.gz ZNWRRYJZKQUYBL-ONUIUJJFSA-N 0 0 634.901 7.757 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)NC1=S ZINC000409093055 1070517599 /nfs/dbraw/zinc/51/75/99/1070517599.db2.gz YYPZBDLZAIOVAE-ZDLGFXPLSA-N 0 0 544.298 6.201 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409089167 1070523177 /nfs/dbraw/zinc/52/31/77/1070523177.db2.gz HNUFJAAIBWBKFU-OBLBUWMUSA-N 0 0 559.334 6.715 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)S1 ZINC000409087581 1070520752 /nfs/dbraw/zinc/52/07/52/1070520752.db2.gz CBPZWKDDJBGNOV-FRKPEAEDSA-N 0 0 500.201 5.441 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409087758 1070521235 /nfs/dbraw/zinc/52/12/35/1070521235.db2.gz HOEQJCCZVDCBIG-XYGWBWBKSA-N 0 0 602.326 7.934 40 10 KKCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409103440 1070528004 /nfs/dbraw/zinc/52/80/04/1070528004.db2.gz GYKMJDJDDTZKGG-YZSQISJMSA-N 0 0 528.630 7.036 40 10 KKCBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409097236 1070530485 /nfs/dbraw/zinc/53/04/85/1070530485.db2.gz LWKXZOVNYFFCNS-WSDLNYQXSA-N 0 0 631.501 5.807 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409099442 1070532747 /nfs/dbraw/zinc/53/27/47/1070532747.db2.gz NKLRLARTKAWCCZ-LQKURTRISA-N 0 0 649.563 7.834 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000409101879 1070535040 /nfs/dbraw/zinc/53/50/40/1070535040.db2.gz ZDUBSJQIZAUXTB-LFVJCYFKSA-N 0 0 544.589 6.183 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC1=S ZINC000409132405 1070551417 /nfs/dbraw/zinc/55/14/17/1070551417.db2.gz OKFQBJRFBQGAEK-JMIUGGIZSA-N 0 0 505.434 5.439 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409126943 1070554376 /nfs/dbraw/zinc/55/43/76/1070554376.db2.gz OSNLENLRCZNDDJ-YXSASFKJSA-N 0 0 554.362 7.616 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409129284 1070556183 /nfs/dbraw/zinc/55/61/83/1070556183.db2.gz GDYKBYQQTAQEDB-MYYYXRDXSA-N 0 0 590.008 7.918 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409135266 1070559482 /nfs/dbraw/zinc/55/94/82/1070559482.db2.gz UCTSKFZUBONVKL-DICXZTSXSA-N 0 0 559.485 7.237 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000409135515 1070560153 /nfs/dbraw/zinc/56/01/53/1070560153.db2.gz QAUGBQZEISSWIR-IWIPYMOSSA-N 0 0 509.027 6.945 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c(Cl)c1 ZINC000409142443 1070560539 /nfs/dbraw/zinc/56/05/39/1070560539.db2.gz DEOZNOGXAHZROR-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4SC(=O)N(CC(=O)c5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409137743 1070561762 /nfs/dbraw/zinc/56/17/62/1070561762.db2.gz XJRIREXLHPFNNC-MIXAMLLLSA-N 0 0 538.625 6.814 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409138834 1070562903 /nfs/dbraw/zinc/56/29/03/1070562903.db2.gz IPTWFRIZVHWHDB-QQXSKIMKSA-N 0 0 569.590 7.573 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccccc4C)c4ccccc34)SC2=S)cc1 ZINC000409144522 1070572714 /nfs/dbraw/zinc/57/27/14/1070572714.db2.gz FWSDLKPHXPLDKY-VEILYXNESA-N 0 0 528.699 6.829 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409142874 1070570659 /nfs/dbraw/zinc/57/06/59/1070570659.db2.gz DFWKFKKHPHWKMQ-OGLMXYFKSA-N 0 0 589.138 7.326 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144472 1070572277 /nfs/dbraw/zinc/57/22/77/1070572277.db2.gz YQTNJQAOTUMQIT-MSXFZWOLSA-N 0 0 549.674 5.623 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409150120 1070568450 /nfs/dbraw/zinc/56/84/50/1070568450.db2.gz AGTXMXLQUHZJQT-PBDKAQRYSA-N 0 0 568.895 7.612 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409151380 1070569324 /nfs/dbraw/zinc/56/93/24/1070569324.db2.gz GLSVCGDPVURSPD-DYLHXGEVSA-N 0 0 579.749 9.132 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409151311 1070569494 /nfs/dbraw/zinc/56/94/94/1070569494.db2.gz BCTDZRNQGOWDHJ-GGUMNFRJSA-N 0 0 593.718 8.418 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142560 1070569748 /nfs/dbraw/zinc/56/97/48/1070569748.db2.gz ATACEGWXMHAVDC-JOCHJYFZSA-N 0 0 534.447 6.278 40 10 KKCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)ccc1Cl ZINC000409157955 1070574405 /nfs/dbraw/zinc/57/44/05/1070574405.db2.gz WHKKINYHWJOKIF-SSDVNMTOSA-N 0 0 558.443 5.863 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409155488 1070578795 /nfs/dbraw/zinc/57/87/95/1070578795.db2.gz RIUWYPSNSMGUIF-DXMSMQRWSA-N 0 0 634.612 10.130 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409162085 1070580739 /nfs/dbraw/zinc/58/07/39/1070580739.db2.gz RFHLWIGWIHZHOX-ZMOGYAJESA-N 0 0 552.508 6.851 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409165464 1070583781 /nfs/dbraw/zinc/58/37/81/1070583781.db2.gz YLXXSTJTFVDUIW-YTZAWJCFSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409167733 1070585666 /nfs/dbraw/zinc/58/56/66/1070585666.db2.gz JWFQSVCXQZWRGZ-GLDPYIMESA-N 0 0 541.829 7.425 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409176657 1070591364 /nfs/dbraw/zinc/59/13/64/1070591364.db2.gz UMYJDDBVFHCWFB-MFOYZWKCSA-N 0 0 563.841 6.287 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409177673 1070593081 /nfs/dbraw/zinc/59/30/81/1070593081.db2.gz HSJRGCQETPCJSP-CAOOACKPSA-N 0 0 607.850 5.440 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181755 1070599033 /nfs/dbraw/zinc/59/90/33/1070599033.db2.gz DGIVNWCEYXZBQC-NOHSCASASA-N 0 0 806.735 8.159 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184615 1070604127 /nfs/dbraw/zinc/60/41/27/1070604127.db2.gz HJPHELGKLRFLBV-AZDPKVPJSA-N 0 0 635.742 5.632 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185441 1070604739 /nfs/dbraw/zinc/60/47/39/1070604739.db2.gz LNCSQCZZXYFKKL-NRNSZXCESA-N 0 0 797.690 8.403 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409206532 1070621655 /nfs/dbraw/zinc/62/16/55/1070621655.db2.gz PGWITNHMAFQPSC-WGOQTCKBSA-N 0 0 593.568 7.536 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409211697 1070635766 /nfs/dbraw/zinc/63/57/66/1070635766.db2.gz NWZISUCYBJELFF-ZSOIEALJSA-N 0 0 500.193 5.526 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409229666 1070647134 /nfs/dbraw/zinc/64/71/34/1070647134.db2.gz SPQGRBIFLNXABY-NAHYFOQLSA-N 0 0 553.105 6.719 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409240710 1070656269 /nfs/dbraw/zinc/65/62/69/1070656269.db2.gz PNERBLOOCBWVFL-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409237840 1070653301 /nfs/dbraw/zinc/65/33/01/1070653301.db2.gz XMMAGHHWQQSNQF-BUVRLJJBSA-N 0 0 500.396 5.853 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409238505 1070654128 /nfs/dbraw/zinc/65/41/28/1070654128.db2.gz DSJPSWPOBATENT-JJFYIABZSA-N 0 0 563.915 7.379 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)cc1 ZINC000409231244 1070656622 /nfs/dbraw/zinc/65/66/22/1070656622.db2.gz JAZXIOAFWWNRIK-IWIPYMOSSA-N 0 0 581.557 7.052 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409232871 1070658329 /nfs/dbraw/zinc/65/83/29/1070658329.db2.gz BZVUQWWCNMJMFP-WSVATBPTSA-N 0 0 560.322 6.385 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409247036 1070663322 /nfs/dbraw/zinc/66/33/22/1070663322.db2.gz AVOVKIBTWKMAJI-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409250924 1070667804 /nfs/dbraw/zinc/66/78/04/1070667804.db2.gz OVRVBKQITYICEO-NHDPSOOVSA-N 0 0 582.547 7.148 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409242651 1070670700 /nfs/dbraw/zinc/67/07/00/1070670700.db2.gz RZIPPLVYKJQKOS-QQXSKIMKSA-N 0 0 581.159 7.341 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1 ZINC000409249690 1070666255 /nfs/dbraw/zinc/66/62/55/1070666255.db2.gz KZVOHSMTYUBZSQ-HMAPJEAMSA-N 0 0 555.475 5.881 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255043 1070673396 /nfs/dbraw/zinc/67/33/96/1070673396.db2.gz YZTACAVHKCIHIQ-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409254927 1070673416 /nfs/dbraw/zinc/67/34/16/1070673416.db2.gz GHLSSVCTKWKZQY-NDENLUEZSA-N 0 0 535.485 5.395 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1C ZINC000409256727 1070676150 /nfs/dbraw/zinc/67/61/50/1070676150.db2.gz PGJRSHMRQGYNTC-JAIQZWGSSA-N 0 0 538.387 5.294 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O ZINC000409256505 1070676223 /nfs/dbraw/zinc/67/62/23/1070676223.db2.gz LRZDZOYLZFSZTH-YVLHZVERSA-N 0 0 558.805 5.639 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409257186 1070676845 /nfs/dbraw/zinc/67/68/45/1070676845.db2.gz OSYFOEFSBHXHLI-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)SC2=S)cc1 ZINC000409258268 1070679036 /nfs/dbraw/zinc/67/90/36/1070679036.db2.gz SKOXWKVRXDWJME-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000409265481 1070689107 /nfs/dbraw/zinc/68/91/07/1070689107.db2.gz SVBVSUYMTLYODG-GEWRUKCFSA-N 0 0 543.497 6.973 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409251691 1070682500 /nfs/dbraw/zinc/68/25/00/1070682500.db2.gz QEKLTZUHAOMEGF-MTJSOVHGSA-N 0 0 533.433 6.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409252785 1070684477 /nfs/dbraw/zinc/68/44/77/1070684477.db2.gz DUTGUNQUPPQVTA-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409268561 1070693367 /nfs/dbraw/zinc/69/33/67/1070693367.db2.gz VVEUIWRZUKVICO-XKZIYDEJSA-N 0 0 512.584 5.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1O ZINC000409260994 1070696379 /nfs/dbraw/zinc/69/63/79/1070696379.db2.gz ZNZRQEILAQYXRZ-YVLHZVERSA-N 0 0 511.406 5.418 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)cc2Cl)cc1 ZINC000409263915 1070700783 /nfs/dbraw/zinc/70/07/83/1070700783.db2.gz CWZHODTZLIFSIJ-XYGWBWBKSA-N 0 0 537.106 6.888 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)cc1 ZINC000409261483 1070697656 /nfs/dbraw/zinc/69/76/56/1070697656.db2.gz CJMHXRUUELSVHM-CXTZRUPXSA-N 0 0 518.660 6.065 40 10 KKCBRN Cc1cccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408880113 1070789853 /nfs/dbraw/zinc/78/98/53/1070789853.db2.gz DHXHREQEFBCJPT-UHFFFAOYSA-N 0 0 583.507 7.085 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408877653 1070805937 /nfs/dbraw/zinc/80/59/37/1070805937.db2.gz XFGNMPYZYOONNO-UHFFFAOYSA-N 0 0 521.367 5.440 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408877587 1070806147 /nfs/dbraw/zinc/80/61/47/1070806147.db2.gz SPIIKNMCJZBATF-UHFFFAOYSA-N 0 0 691.503 6.535 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2Cl)c1 ZINC000408877681 1070807227 /nfs/dbraw/zinc/80/72/27/1070807227.db2.gz SWZLYNPJQFLGRU-UHFFFAOYSA-N 0 0 539.056 6.688 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000408887293 1070821452 /nfs/dbraw/zinc/82/14/52/1070821452.db2.gz PILAOJVHRZNNDD-UHFFFAOYSA-N 0 0 502.570 6.466 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409327495 1070828395 /nfs/dbraw/zinc/82/83/95/1070828395.db2.gz KEFIUNKSFWPBNI-QFEZKATASA-N 0 0 538.525 7.468 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409326639 1070826417 /nfs/dbraw/zinc/82/64/17/1070826417.db2.gz CUQXDNAYTTVJGM-MSXFZWOLSA-N 0 0 553.934 7.820 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409333213 1070838160 /nfs/dbraw/zinc/83/81/60/1070838160.db2.gz RHJRKYBOIHSZIG-CIAFOILYSA-N 0 0 609.792 8.158 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409333801 1070839157 /nfs/dbraw/zinc/83/91/57/1070839157.db2.gz CRZGTDGIUYACGX-XYGWBWBKSA-N 0 0 534.971 5.764 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409331268 1070834628 /nfs/dbraw/zinc/83/46/28/1070834628.db2.gz NJTBVGDJWMDVRE-RMORIDSASA-N 0 0 659.838 8.801 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408896047 1070837039 /nfs/dbraw/zinc/83/70/39/1070837039.db2.gz MOUBMAHIOYUNHD-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409332836 1070837351 /nfs/dbraw/zinc/83/73/51/1070837351.db2.gz SABCDNHKHYUXFN-WSDLNYQXSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409332894 1070837507 /nfs/dbraw/zinc/83/75/07/1070837507.db2.gz SDNSPXGDKUBROQ-LZYBPNLTSA-N 0 0 533.694 6.670 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409332985 1070837665 /nfs/dbraw/zinc/83/76/65/1070837665.db2.gz SZSNTYUSPVJYER-QRVIBDJDSA-N 0 0 500.016 6.781 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(C)c1 ZINC000409333737 1070839032 /nfs/dbraw/zinc/83/90/32/1070839032.db2.gz VLZDVIYXHYCQLT-UUYOSTAYSA-N 0 0 530.549 7.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409339782 1070845194 /nfs/dbraw/zinc/84/51/94/1070845194.db2.gz YHBHGZZVUVZQAE-FMCGGJTJSA-N 0 0 603.947 6.843 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409340228 1070845674 /nfs/dbraw/zinc/84/56/74/1070845674.db2.gz SNLOUYFRXWAGPT-OYKKKHCWSA-N 0 0 549.630 5.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409341450 1070847635 /nfs/dbraw/zinc/84/76/35/1070847635.db2.gz AXDLRRHENRERBI-YSMPRRRNSA-N 0 0 610.982 8.639 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1O ZINC000409341443 1070847691 /nfs/dbraw/zinc/84/76/91/1070847691.db2.gz AVTOUUVTNDMLAU-RIYZIHGNSA-N 0 0 548.221 5.174 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409341356 1070847809 /nfs/dbraw/zinc/84/78/09/1070847809.db2.gz BFNYJJSSUOKTQM-HZHRSRAPSA-N 0 0 512.052 6.732 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409341289 1070847836 /nfs/dbraw/zinc/84/78/36/1070847836.db2.gz AXMBNUPSDHMSNW-WPWMEQJKSA-N 0 0 515.631 7.362 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408894843 1070850693 /nfs/dbraw/zinc/85/06/93/1070850693.db2.gz JGHXXOUMHOAUFR-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)c1 ZINC000409343618 1070851899 /nfs/dbraw/zinc/85/18/99/1070851899.db2.gz HWGSXRZAKYZJTN-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409343507 1070852124 /nfs/dbraw/zinc/85/21/24/1070852124.db2.gz HDIGHBFJZUBMBZ-NVMNQCDNSA-N 0 0 556.246 7.330 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409344241 1070852492 /nfs/dbraw/zinc/85/24/92/1070852492.db2.gz IJTSAONCAHGFFS-SXGWCWSVSA-N 0 0 529.275 5.630 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1 ZINC000409344723 1070853628 /nfs/dbraw/zinc/85/36/28/1070853628.db2.gz IDAICLHUKSKBBA-XKZIYDEJSA-N 0 0 560.466 6.590 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409334888 1070854356 /nfs/dbraw/zinc/85/43/56/1070854356.db2.gz WUUAACBSKMUEDI-UCQKPKSFSA-N 0 0 601.500 6.749 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccn3)c(OC)c2)SC1=S ZINC000409338160 1070860566 /nfs/dbraw/zinc/86/05/66/1070860566.db2.gz FAUIIWOWBMATOT-FYJGNVAPSA-N 0 0 543.464 5.846 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409339204 1070862019 /nfs/dbraw/zinc/86/20/19/1070862019.db2.gz FPYLHZGLHUBKJT-CHHVJCJISA-N 0 0 552.242 6.021 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408893769 1070862436 /nfs/dbraw/zinc/86/24/36/1070862436.db2.gz FNIVHDDIIAGRPP-UHFFFAOYSA-N 0 0 739.429 7.780 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000409349525 1070866970 /nfs/dbraw/zinc/86/69/70/1070866970.db2.gz QPNGQEKARQTSNW-FBHDLOMBSA-N 0 0 646.330 7.731 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409349550 1070867461 /nfs/dbraw/zinc/86/74/61/1070867461.db2.gz QUGJAMJNYZZKBV-FMCGGJTJSA-N 0 0 608.938 7.634 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCC ZINC000409350110 1070868038 /nfs/dbraw/zinc/86/80/38/1070868038.db2.gz XHGTXFCDMOCKOO-CPNJWEJPSA-N 0 0 507.475 5.718 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2OC)cc1 ZINC000409351217 1070869461 /nfs/dbraw/zinc/86/94/61/1070869461.db2.gz ZLHCHKZOHGMHKX-MXAYSNPKSA-N 0 0 548.642 5.410 40 10 KKCBRN O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409352688 1070871036 /nfs/dbraw/zinc/87/10/36/1070871036.db2.gz YLUMIANEYIZCCA-ZROIWOOFSA-N 0 0 502.196 5.460 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408890800 1070880690 /nfs/dbraw/zinc/88/06/90/1070880690.db2.gz ZLIVRNOCYRQLEN-UHFFFAOYSA-N 0 0 587.072 7.205 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000409345309 1070876412 /nfs/dbraw/zinc/87/64/12/1070876412.db2.gz LDYLMYTYAZSJNX-HZHRSRAPSA-N 0 0 512.653 5.255 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408891469 1070877300 /nfs/dbraw/zinc/87/73/00/1070877300.db2.gz RBTBBDUDHSJBAF-UHFFFAOYSA-N 0 0 584.675 5.520 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409345662 1070877444 /nfs/dbraw/zinc/87/74/44/1070877444.db2.gz ISKXHDYFUGJDMU-LZYBPNLTSA-N 0 0 610.720 6.520 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408891510 1070877859 /nfs/dbraw/zinc/87/78/59/1070877859.db2.gz RSABGZUXNWLZEP-UHFFFAOYSA-N 0 0 633.951 7.438 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408891291 1070880159 /nfs/dbraw/zinc/88/01/59/1070880159.db2.gz ODRJUNUIPNILBJ-UHFFFAOYSA-N 0 0 599.506 6.785 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409367996 1070891312 /nfs/dbraw/zinc/89/13/12/1070891312.db2.gz PKHCNGJYZSUZTH-SSDVNMTOSA-N 0 0 698.404 7.580 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408905616 1070899041 /nfs/dbraw/zinc/89/90/41/1070899041.db2.gz BQVMYYCSVLMOFC-UXHLAJHPSA-N 0 0 730.464 8.007 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409370930 1070894531 /nfs/dbraw/zinc/89/45/31/1070894531.db2.gz VMRPCZWVYPWMMG-UNOMPAQXSA-N 0 0 539.460 5.798 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408905521 1070900017 /nfs/dbraw/zinc/90/00/17/1070900017.db2.gz BJEFMUXRKZHXPX-JVWAILMASA-N 0 0 706.431 8.162 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408905182 1070899991 /nfs/dbraw/zinc/89/99/91/1070899991.db2.gz UTTPIESIFKQUKY-CIAFOILYSA-N 0 0 538.373 5.420 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Br)c1 ZINC000408904077 1070901478 /nfs/dbraw/zinc/90/14/78/1070901478.db2.gz DJGIVVFAKRXVNI-HYARGMPZSA-N 0 0 504.384 5.581 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903436 1070903537 /nfs/dbraw/zinc/90/35/37/1070903537.db2.gz XVOKVQWWXMHPTA-UDWIEESQSA-N 0 0 561.866 6.996 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409378879 1070905200 /nfs/dbraw/zinc/90/52/00/1070905200.db2.gz SXQLFSDYIYVTKA-MXAYSNPKSA-N 0 0 520.054 5.677 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408903143 1070905431 /nfs/dbraw/zinc/90/54/31/1070905431.db2.gz UYDKLUKDZXKPEO-YDZHTSKRSA-N 0 0 544.467 6.972 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408903155 1070905458 /nfs/dbraw/zinc/90/54/58/1070905458.db2.gz UZXJTNBYSIXILT-RGVLZGJSSA-N 0 0 652.124 7.201 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)o1 ZINC000409387942 1070910479 /nfs/dbraw/zinc/91/04/79/1070910479.db2.gz YWSWFROPIADBOK-KEBDBYFISA-N 0 0 515.385 5.473 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408903057 1070906682 /nfs/dbraw/zinc/90/66/82/1070906682.db2.gz UFKIQWSYFDSOLF-DJKKODMXSA-N 0 0 642.118 7.746 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902731 1070909136 /nfs/dbraw/zinc/90/91/36/1070909136.db2.gz QONJCIKHHBXKGU-UDWIEESQSA-N 0 0 626.310 7.178 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902790 1070909153 /nfs/dbraw/zinc/90/91/53/1070909153.db2.gz RLJOFPOPAAYRIN-SRZZPIQSSA-N 0 0 598.314 7.583 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408902744 1070909272 /nfs/dbraw/zinc/90/92/72/1070909272.db2.gz QVRKRZZZSGDUDR-FYJGNVAPSA-N 0 0 546.895 7.096 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408902768 1070909300 /nfs/dbraw/zinc/90/93/00/1070909300.db2.gz REPDIFHYWWNDNW-FYJGNVAPSA-N 0 0 620.228 6.281 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902411 1070911202 /nfs/dbraw/zinc/91/12/02/1070911202.db2.gz NHWJFWYJNIKORV-LPYMAVHISA-N 0 0 642.367 7.982 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902299 1070912597 /nfs/dbraw/zinc/91/25/97/1070912597.db2.gz MVWZKFFYWXVAGG-BUVRLJJBSA-N 0 0 566.929 8.241 40 10 KKCBRN COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409778 1070919437 /nfs/dbraw/zinc/91/94/37/1070919437.db2.gz WZDANEGMEYFKNH-NDENLUEZSA-N 0 0 513.775 5.152 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408902222 1070913886 /nfs/dbraw/zinc/91/38/86/1070913886.db2.gz MEIUAKPHZPHCHS-RGVLZGJSSA-N 0 0 516.222 7.141 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408901952 1070914661 /nfs/dbraw/zinc/91/46/61/1070914661.db2.gz JHSUFFODUIHITH-LPYMAVHISA-N 0 0 583.382 5.983 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408901891 1070915954 /nfs/dbraw/zinc/91/59/54/1070915954.db2.gz IMDIRMRRKAHSMM-WSDLNYQXSA-N 0 0 638.346 7.047 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408901643 1070919866 /nfs/dbraw/zinc/91/98/66/1070919866.db2.gz GYBWHTQIVVNIGM-YZSQISJMSA-N 0 0 623.537 7.828 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)o1 ZINC000409402599 1070918390 /nfs/dbraw/zinc/91/83/90/1070918390.db2.gz XFQCUTSLZCJTGU-YSMPRRRNSA-N 0 0 604.457 5.908 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000408901426 1070920376 /nfs/dbraw/zinc/92/03/76/1070920376.db2.gz FCWGTFDGVVYTAP-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408901473 1070921105 /nfs/dbraw/zinc/92/11/05/1070921105.db2.gz FQDKXIMJMAAHGY-RGVLZGJSSA-N 0 0 607.673 7.092 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408901476 1070921412 /nfs/dbraw/zinc/92/14/12/1070921412.db2.gz FSKBSWBKBRHZCP-LPYMAVHISA-N 0 0 570.281 6.995 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408901278 1070921871 /nfs/dbraw/zinc/92/18/71/1070921871.db2.gz CYPOUJLBIRNCIF-HYARGMPZSA-N 0 0 591.467 6.814 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408900969 1070926671 /nfs/dbraw/zinc/92/66/71/1070926671.db2.gz AWGCWRPQFGVSBH-UDWIEESQSA-N 0 0 517.415 6.886 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408909401 1070976664 /nfs/dbraw/zinc/97/66/64/1070976664.db2.gz UEWMNWWLPSYDMC-FDAWAROLSA-N 0 0 665.595 7.472 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408908414 1070984048 /nfs/dbraw/zinc/98/40/48/1070984048.db2.gz DVRLDRIWOSUVCT-HNVAQCFTSA-N 0 0 672.634 7.049 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408916208 1071002894 /nfs/dbraw/zinc/00/28/94/1071002894.db2.gz WAWYLQBMFHYTAH-AYTQJLEDSA-N 0 0 565.720 5.405 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408911167 1071062677 /nfs/dbraw/zinc/06/26/77/1071062677.db2.gz JHQUHUCJZBIIQX-OTHIGLTOSA-N 0 0 743.667 6.655 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408927216 1071069226 /nfs/dbraw/zinc/06/92/26/1071069226.db2.gz OVRDJSXKDUFOHC-SZYVSPPHSA-N 0 0 681.596 5.516 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408926260 1071074378 /nfs/dbraw/zinc/07/43/78/1071074378.db2.gz LZCLAHLZVMZFQT-QUNTYYFUSA-N 0 0 657.019 6.404 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000408926300 1071074420 /nfs/dbraw/zinc/07/44/20/1071074420.db2.gz MHFQSXZMFAXFDG-DEDRDRDXSA-N 0 0 567.755 6.109 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920322 1071107344 /nfs/dbraw/zinc/10/73/44/1071107344.db2.gz IMKLVPSSQAGCBH-OBDCIHEFSA-N 0 0 695.623 5.908 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408919691 1071115664 /nfs/dbraw/zinc/11/56/64/1071115664.db2.gz BMISFVSWGMLKDE-UNDLXJOSSA-N 0 0 662.606 5.214 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)c1 ZINC000408936732 1071207006 /nfs/dbraw/zinc/20/70/06/1071207006.db2.gz IMGARSXSKGJCRW-IVQFASICSA-N 0 0 627.141 6.083 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000208695264 1071212436 /nfs/dbraw/zinc/21/24/36/1071212436.db2.gz KVLHXXFTMOBQSK-JAIQZWGSSA-N 0 0 597.300 7.475 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000208699093 1071213029 /nfs/dbraw/zinc/21/30/29/1071213029.db2.gz DHXUJFRFIKQTDZ-QQXSKIMKSA-N 0 0 518.059 7.487 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000208700951 1071213056 /nfs/dbraw/zinc/21/30/56/1071213056.db2.gz YLXGBQNMRSAUCA-UUYOSTAYSA-N 0 0 532.470 6.995 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408945479 1071277462 /nfs/dbraw/zinc/27/74/62/1071277462.db2.gz WNNFAAZFDRBZLZ-CIAFOILYSA-N 0 0 544.232 6.777 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944299 1071285032 /nfs/dbraw/zinc/28/50/32/1071285032.db2.gz UXOXTDRQAAJTBI-ZXXDOZTISA-N 0 0 679.814 6.711 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000408944318 1071285164 /nfs/dbraw/zinc/28/51/64/1071285164.db2.gz UIADPAIACDWZLV-UDWIEESQSA-N 0 0 586.813 5.974 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc21 ZINC000408940065 1071318217 /nfs/dbraw/zinc/31/82/17/1071318217.db2.gz NLVOMFJXQVKBEB-XIEYBQDHSA-N 0 0 510.571 5.358 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408940081 1071318232 /nfs/dbraw/zinc/31/82/32/1071318232.db2.gz JDHCTLDCNIJARS-FVUNBJOLSA-N 0 0 624.162 6.145 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408939050 1071325127 /nfs/dbraw/zinc/32/51/27/1071325127.db2.gz LOWFQUFRZFHCSW-YDZHTSKRSA-N 0 0 505.412 6.460 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000408939393 1071323401 /nfs/dbraw/zinc/32/34/01/1071323401.db2.gz SBQFNYNQRKCQBX-WGOQTCKBSA-N 0 0 616.455 6.864 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Br)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408952232 1071346496 /nfs/dbraw/zinc/34/64/96/1071346496.db2.gz LOFNNSAQMJIEQI-UHFFFAOYSA-N 0 0 532.213 5.553 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OCC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408950139 1071357163 /nfs/dbraw/zinc/35/71/63/1071357163.db2.gz RQAYZMKSYGFEDL-VILXJFMTSA-N 0 0 660.796 5.857 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408948263 1071365670 /nfs/dbraw/zinc/36/56/70/1071365670.db2.gz QZWXDIGUNBYPSV-IGCAUWKCSA-N 0 0 698.241 6.455 40 10 KKCBRN CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C ZINC000408965816 1071413044 /nfs/dbraw/zinc/41/30/44/1071413044.db2.gz IVIOPXQGSCCWAK-UHFFFAOYSA-N 0 0 505.643 6.405 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1 ZINC000408964530 1071417789 /nfs/dbraw/zinc/41/77/89/1071417789.db2.gz DBGBMUBQYNXZHS-UCQKPKSFSA-N 0 0 521.570 5.085 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1C ZINC000408959701 1071436041 /nfs/dbraw/zinc/43/60/41/1071436041.db2.gz DLWKYXJHAYZYHC-MYYYXRDXSA-N 0 0 501.652 6.257 40 10 KKCBRN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408972069 1071450510 /nfs/dbraw/zinc/45/05/10/1071450510.db2.gz RLIFBZIXUJEEMQ-ZROIWOOFSA-N 0 0 518.127 5.959 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971725 1071451812 /nfs/dbraw/zinc/45/18/12/1071451812.db2.gz PREWYCLRXNYXOV-JLPGSUDCSA-N 0 0 551.362 7.530 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971317 1071452448 /nfs/dbraw/zinc/45/24/48/1071452448.db2.gz IJQCSVHBSUHQDI-PDGQHHTCSA-N 0 0 535.747 7.030 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl ZINC000408970040 1071456485 /nfs/dbraw/zinc/45/64/85/1071456485.db2.gz ZDIAHDCKCAQDMI-ODLFYWEKSA-N 0 0 521.322 6.930 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OCc1ccccc1Cl ZINC000408969998 1071456646 /nfs/dbraw/zinc/45/66/46/1071456646.db2.gz YJLALOSQMJNTFD-WQRHYEAKSA-N 0 0 612.773 6.881 40 10 KKCBRN CN(C)C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000408975540 1071474698 /nfs/dbraw/zinc/47/46/98/1071474698.db2.gz MRXVPYCTINANOF-UHFFFAOYSA-N 0 0 502.599 6.567 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408976360 1071472501 /nfs/dbraw/zinc/47/25/01/1071472501.db2.gz FLDRBPJCDSCOLL-UHAPOFRNSA-N 0 0 634.758 5.307 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408987228 1071481623 /nfs/dbraw/zinc/48/16/23/1071481623.db2.gz FENJQLFDFGETBV-UHFFFAOYSA-N 0 0 542.657 5.610 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408986345 1071490188 /nfs/dbraw/zinc/49/01/88/1071490188.db2.gz PVLGMNNJXFDCSE-UHFFFAOYSA-N 0 0 568.783 7.969 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1Cl ZINC000408986452 1071490784 /nfs/dbraw/zinc/49/07/84/1071490784.db2.gz CJZURIBPOQSBDN-MHZLTWQESA-N 0 0 548.112 5.999 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000408985569 1071499230 /nfs/dbraw/zinc/49/92/30/1071499230.db2.gz MZSIKCOTYCIQFP-AJBULDERSA-N 0 0 581.712 8.672 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C(=O)OC)ccc4C)C3=O)o2)cc1 ZINC000408985542 1071499260 /nfs/dbraw/zinc/49/92/60/1071499260.db2.gz MSZXVDPMQVZCSX-KOEQRZSOSA-N 0 0 519.553 6.300 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000408985052 1071502543 /nfs/dbraw/zinc/50/25/43/1071502543.db2.gz LBAAAUCWWSURCW-LDADJPATSA-N 0 0 559.685 7.735 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000408984471 1071508356 /nfs/dbraw/zinc/50/83/56/1071508356.db2.gz HMWKJYZEEOPHPM-OQKWZONESA-N 0 0 526.386 6.967 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408726809 1071510772 /nfs/dbraw/zinc/51/07/72/1071510772.db2.gz VJUAQEFPBFLRQE-UHFFFAOYSA-N 0 0 576.718 7.338 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726875 1071511357 /nfs/dbraw/zinc/51/13/57/1071511357.db2.gz WCYJSNKZUIUVNX-NDZAJKAJSA-N 0 0 651.546 9.016 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)c(Cl)c3)C2=O)cc1Br ZINC000408983881 1071513431 /nfs/dbraw/zinc/51/34/31/1071513431.db2.gz DVDQXGOAAMHRDC-CPNJWEJPSA-N 0 0 538.825 6.759 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)c(Cl)c3)C2=O)cc1Br ZINC000408983809 1071515354 /nfs/dbraw/zinc/51/53/54/1071515354.db2.gz CSWKRISASHRFIY-CPNJWEJPSA-N 0 0 510.815 6.981 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 ZINC000408983297 1071518271 /nfs/dbraw/zinc/51/82/71/1071518271.db2.gz AMAZWEMXZHMMCZ-LTGZKZEYSA-N 0 0 516.380 7.511 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408724590 1071524080 /nfs/dbraw/zinc/52/40/80/1071524080.db2.gz CCNMPTHMZBHDAN-UHFFFAOYSA-N 0 0 553.014 6.901 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408724551 1071525970 /nfs/dbraw/zinc/52/59/70/1071525970.db2.gz BLMDOLHTXUCXDR-TWKHWXDSSA-N 0 0 603.074 7.973 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408982239 1071529254 /nfs/dbraw/zinc/52/92/54/1071529254.db2.gz JFFNTWIUIODAHD-OXDPQRGISA-N 0 0 628.581 6.650 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408981171 1071536807 /nfs/dbraw/zinc/53/68/07/1071536807.db2.gz ZYNYHASSWJEGPD-VSQRRKBNSA-N 0 0 618.759 5.607 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408981006 1071537365 /nfs/dbraw/zinc/53/73/65/1071537365.db2.gz HEAFYKWTPYIKSU-XCQFLATRSA-N 0 0 608.163 6.305 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995650 1071551629 /nfs/dbraw/zinc/55/16/29/1071551629.db2.gz KMPKIYYICROEQM-AARCXHMLSA-N 0 0 582.747 7.600 40 10 KKCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 ZINC000408736632 1071555665 /nfs/dbraw/zinc/55/56/65/1071555665.db2.gz YAOZVJTVCHQYKG-ALTZYDRJSA-N 0 0 529.421 7.850 40 10 KKCBRN CCOc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736330 1071556525 /nfs/dbraw/zinc/55/65/25/1071556525.db2.gz QLDZEEVZQVWDTJ-SWYRRKHMSA-N 0 0 500.853 8.451 40 10 KKCBRN Cc1cc(C)cc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408994373 1071558321 /nfs/dbraw/zinc/55/83/21/1071558321.db2.gz ZCKFBTDJTSHYGS-NDEPHWFRSA-N 0 0 527.694 5.654 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994389 1071558347 /nfs/dbraw/zinc/55/83/47/1071558347.db2.gz ZJUYJNKPZKTLEN-HHHXNRCGSA-N 0 0 548.112 5.999 40 10 KKCBRN Cc1cc(C)cc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408994372 1071558399 /nfs/dbraw/zinc/55/83/99/1071558399.db2.gz ZCKFBTDJTSHYGS-MUUNZHRXSA-N 0 0 527.694 5.654 40 10 KKCBRN COc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 ZINC000408994088 1071559999 /nfs/dbraw/zinc/55/99/99/1071559999.db2.gz YJVKJRGDIBYMPR-MHZLTWQESA-N 0 0 529.666 5.046 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408993995 1071561670 /nfs/dbraw/zinc/56/16/70/1071561670.db2.gz FBHPVXBLSPFZHP-RCCKNPSSSA-N 0 0 502.979 6.184 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993724 1071563880 /nfs/dbraw/zinc/56/38/80/1071563880.db2.gz XGAQTAGVYZAUMJ-UHFFFAOYSA-N 0 0 650.797 7.663 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408993226 1071566531 /nfs/dbraw/zinc/56/65/31/1071566531.db2.gz VFMYWVBOJWGUOY-UHFFFAOYSA-N 0 0 640.768 7.931 40 10 KKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408734197 1071566622 /nfs/dbraw/zinc/56/66/22/1071566622.db2.gz FQWYJVUMXPXFAR-UHFFFAOYSA-N 0 0 502.621 7.148 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408993165 1071567703 /nfs/dbraw/zinc/56/77/03/1071567703.db2.gz UZRSPJSXYZPKOE-UHFFFAOYSA-N 0 0 647.569 7.078 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408993010 1071568896 /nfs/dbraw/zinc/56/88/96/1071568896.db2.gz UOENYZKTCQQJGS-FIRIVFDPSA-N 0 0 801.972 9.017 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c(C)c1 ZINC000408992378 1071572661 /nfs/dbraw/zinc/57/26/61/1071572661.db2.gz AUBLFDNLHVLPMA-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991683 1071579134 /nfs/dbraw/zinc/57/91/34/1071579134.db2.gz OWGYVLZLEQYCCT-XXEDUFPJSA-N 0 0 582.710 5.524 40 10 KKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408991688 1071579242 /nfs/dbraw/zinc/57/92/42/1071579242.db2.gz QXNXAKISAPYGQS-UHFFFAOYSA-N 0 0 502.592 5.241 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408991418 1071582100 /nfs/dbraw/zinc/58/21/00/1071582100.db2.gz OBBCEUJUPPFXPI-UHFFFAOYSA-N 0 0 702.605 7.394 40 10 KKCBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)N(c6ccccc6)C(=S)N(c6ccccc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408991436 1071582188 /nfs/dbraw/zinc/58/21/88/1071582188.db2.gz OEKSZLHLQDTDEA-UHFFFAOYSA-N 0 0 727.849 8.665 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408991161 1071582540 /nfs/dbraw/zinc/58/25/40/1071582540.db2.gz NBBPQQOXMYOMDN-UHFFFAOYSA-N 0 0 824.793 10.588 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408991108 1071584039 /nfs/dbraw/zinc/58/40/39/1071584039.db2.gz MTLOYKOTMBEHKN-UHFFFAOYSA-N 0 0 650.807 8.338 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408727781 1071598380 /nfs/dbraw/zinc/59/83/80/1071598380.db2.gz RYLDBALWJWWMQB-XKZIYDEJSA-N 0 0 655.457 7.334 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1 ZINC000408988760 1071602599 /nfs/dbraw/zinc/60/25/99/1071602599.db2.gz SFTGZUAUFCSUIU-UAMLYEQYSA-N 0 0 569.727 5.220 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1 ZINC000408988371 1071606822 /nfs/dbraw/zinc/60/68/22/1071606822.db2.gz SFTGZUAUFCSUIU-ITNPZBTBSA-N 0 0 569.727 5.220 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000408738200 1071610449 /nfs/dbraw/zinc/61/04/49/1071610449.db2.gz SASWHVSZRXQDNR-XMHGGMMESA-N 0 0 503.341 7.633 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408987757 1071611373 /nfs/dbraw/zinc/61/13/73/1071611373.db2.gz BXHLLSJUXQGPOQ-UHFFFAOYSA-N 0 0 748.267 9.010 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1 ZINC000408737941 1071612500 /nfs/dbraw/zinc/61/25/00/1071612500.db2.gz KWTXOBONDISOKR-LTGZKZEYSA-N 0 0 530.407 7.901 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408987445 1071612910 /nfs/dbraw/zinc/61/29/10/1071612910.db2.gz XUAILSRKUXMTAA-UHFFFAOYSA-N 0 0 609.619 8.659 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737635 1071613648 /nfs/dbraw/zinc/61/36/48/1071613648.db2.gz FKBFLYJWUWPMJY-GONGWJOBSA-N 0 0 591.733 5.758 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C(=O)OC)C2=O)cc1Br ZINC000408987298 1071613957 /nfs/dbraw/zinc/61/39/57/1071613957.db2.gz WBSWWGBAXZKANS-HMMYKYKNSA-N 0 0 504.380 6.106 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408744039 1071616758 /nfs/dbraw/zinc/61/67/58/1071616758.db2.gz VYGACACWEFUEAK-YBFXNURJSA-N 0 0 501.793 7.606 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OCc1ccccc1Cl ZINC000408743322 1071618314 /nfs/dbraw/zinc/61/83/14/1071618314.db2.gz SCGKMAWMQYIICC-VCHYOVAHSA-N 0 0 579.217 7.167 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(Br)c(Br)c1OC(C)=O ZINC000408742081 1071621698 /nfs/dbraw/zinc/62/16/98/1071621698.db2.gz MWMFMGYYALFMDS-NTUHNPAUSA-N 0 0 528.580 5.780 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408742297 1071621722 /nfs/dbraw/zinc/62/17/22/1071621722.db2.gz OECPRCJZZLQLMZ-CAOOACKPSA-N 0 0 566.662 7.978 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408996212 1071619470 /nfs/dbraw/zinc/61/94/70/1071619470.db2.gz LLJTYAJRGPOYCG-CTVOUCONSA-N 0 0 534.703 6.207 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000408742553 1071620664 /nfs/dbraw/zinc/62/06/64/1071620664.db2.gz PRRFITCDODPTEL-OVCLIPMQSA-N 0 0 508.162 5.517 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1OC ZINC000408741308 1071626804 /nfs/dbraw/zinc/62/68/04/1071626804.db2.gz IJJYNUFYWADQFU-RIYZIHGNSA-N 0 0 527.152 5.442 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2)cc1C ZINC000409005981 1071626991 /nfs/dbraw/zinc/62/69/91/1071626991.db2.gz GSZQBAATDMUMSX-AJBULDERSA-N 0 0 589.717 6.686 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408740926 1071627296 /nfs/dbraw/zinc/62/72/96/1071627296.db2.gz FCDOPXDDOGBGDC-CPNJWEJPSA-N 0 0 512.197 6.772 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)NC1=S ZINC000409007085 1071622066 /nfs/dbraw/zinc/62/20/66/1071622066.db2.gz NLHYFGFZANGHDD-SXGWCWSVSA-N 0 0 530.669 5.522 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408742012 1071622830 /nfs/dbraw/zinc/62/28/30/1071622830.db2.gz MLFUNZWTNMHPSJ-RQZCQDPDSA-N 0 0 553.321 6.356 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409006515 1071624669 /nfs/dbraw/zinc/62/46/69/1071624669.db2.gz KEKZXMKUXYYRDJ-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408741592 1071625137 /nfs/dbraw/zinc/62/51/37/1071625137.db2.gz JYGXACLEQPXOKG-VCHYOVAHSA-N 0 0 579.217 7.167 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408741425 1071625723 /nfs/dbraw/zinc/62/57/23/1071625723.db2.gz ITXJVKXBSZKECU-OVCLIPMQSA-N 0 0 618.190 6.810 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409006295 1071626027 /nfs/dbraw/zinc/62/60/27/1071626027.db2.gz IPZSFMQHMWORED-QQXSKIMKSA-N 0 0 574.533 7.766 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409005890 1071628099 /nfs/dbraw/zinc/62/80/99/1071628099.db2.gz XRLZGVIKMWQSHS-ZMOGYAJESA-N 0 0 582.440 5.335 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC1=S ZINC000409005495 1071628497 /nfs/dbraw/zinc/62/84/97/1071628497.db2.gz FEGVJRSEDQUHJW-SXGWCWSVSA-N 0 0 550.270 6.398 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409004142 1071634551 /nfs/dbraw/zinc/63/45/51/1071634551.db2.gz OIMGFZCILXFULY-MFKUBSTISA-N 0 0 562.022 5.072 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408756897 1071635268 /nfs/dbraw/zinc/63/52/68/1071635268.db2.gz UQHYPNLJTYIAKE-CBPRFPNYSA-N 0 0 604.688 5.251 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409003313 1071637184 /nfs/dbraw/zinc/63/71/84/1071637184.db2.gz RUFQBVFQLZNXCK-UHFFFAOYSA-N 0 0 561.482 6.942 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Br)cc1 ZINC000408756313 1071638834 /nfs/dbraw/zinc/63/88/34/1071638834.db2.gz PWGNXOIBBCQDKE-CIAFOILYSA-N 0 0 502.195 6.599 40 10 KKCBRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409002381 1071641310 /nfs/dbraw/zinc/64/13/10/1071641310.db2.gz NMDLTUVTRRCGFI-FFZQPPGASA-N 0 0 550.615 6.859 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408755757 1071643187 /nfs/dbraw/zinc/64/31/87/1071643187.db2.gz WEHVAHRJXSOFSW-KGENOOAVSA-N 0 0 512.201 6.055 40 10 KKCBRN Cc1ccc2cc(C3=C/C(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)C(=O)O3)ccc2c1 ZINC000408754663 1071649996 /nfs/dbraw/zinc/64/99/96/1071649996.db2.gz GQSPKPPQFGQNHK-WEMUVCOSSA-N 0 0 574.636 9.162 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409000216 1071650027 /nfs/dbraw/zinc/65/00/27/1071650027.db2.gz MYQJJBJOKYLMJT-NLRVBDNBSA-N 0 0 584.539 7.222 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 ZINC000408754405 1071651639 /nfs/dbraw/zinc/65/16/39/1071651639.db2.gz QOLAKALZJRLEAR-KEBDBYFISA-N 0 0 506.614 7.244 40 10 KKCBRN O=C(Cn1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408753525 1071657462 /nfs/dbraw/zinc/65/74/62/1071657462.db2.gz AKTVHTYRNBWAIM-UHFFFAOYSA-N 0 0 540.579 5.863 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408998404 1071659689 /nfs/dbraw/zinc/65/96/89/1071659689.db2.gz UKBAXCRMAQREHP-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409016403 1071668311 /nfs/dbraw/zinc/66/83/11/1071668311.db2.gz IHQZOKBWISHBLK-DUCIMOQJSA-N 0 0 646.769 5.385 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409016109 1071669731 /nfs/dbraw/zinc/66/97/31/1071669731.db2.gz SHOHOACIUDUBPV-FYJGNVAPSA-N 0 0 539.013 5.228 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409016068 1071669777 /nfs/dbraw/zinc/66/97/77/1071669777.db2.gz SDBFKVINKWBIOG-BIZUNTBRSA-N 0 0 645.177 7.127 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409015564 1071670916 /nfs/dbraw/zinc/67/09/16/1071670916.db2.gz OGBYXGBGJWBYIZ-GOQPZEPVSA-N 0 0 603.744 5.660 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000409015637 1071671342 /nfs/dbraw/zinc/67/13/42/1071671342.db2.gz CSUHCSNCEMFFIP-YOWYGEOISA-N 0 0 608.789 5.471 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409015527 1071672482 /nfs/dbraw/zinc/67/24/82/1071672482.db2.gz ZZJZVKYNNODKMC-NDZAJKAJSA-N 0 0 633.122 6.210 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014569 1071675024 /nfs/dbraw/zinc/67/50/24/1071675024.db2.gz QFAZMTVDAONHQM-STKMKYKTSA-N 0 0 640.758 6.645 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409014333 1071676596 /nfs/dbraw/zinc/67/65/96/1071676596.db2.gz XIJLOQMTDVPATJ-NLRVBDNBSA-N 0 0 528.678 5.096 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014022 1071677865 /nfs/dbraw/zinc/67/78/65/1071677865.db2.gz OMTQYWOQYXRRQX-FDAWAROLSA-N 0 0 665.595 7.472 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409013724 1071679361 /nfs/dbraw/zinc/67/93/61/1071679361.db2.gz NTHPMNKDNXTXJJ-ZTKZIYFRSA-N 0 0 550.684 5.632 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409013156 1071681499 /nfs/dbraw/zinc/68/14/99/1071681499.db2.gz LPEBWCBJKUGEDD-JCMHNJIXSA-N 0 0 510.512 5.999 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012868 1071682516 /nfs/dbraw/zinc/68/25/16/1071682516.db2.gz LFQIFUGABQTFAR-FMFFXOCNSA-N 0 0 659.204 7.633 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012779 1071682538 /nfs/dbraw/zinc/68/25/38/1071682538.db2.gz KOJSNUBLLIDMSM-PWDRKSFLSA-N 0 0 659.588 6.138 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409012206 1071684466 /nfs/dbraw/zinc/68/44/66/1071684466.db2.gz JQZJDLLJZOXRCQ-WOJGMQOQSA-N 0 0 507.439 5.743 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409012423 1071684546 /nfs/dbraw/zinc/68/45/46/1071684546.db2.gz JXCIUIQQYBZWQD-STZFKDTASA-N 0 0 512.393 5.426 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409012298 1071685142 /nfs/dbraw/zinc/68/51/42/1071685142.db2.gz QFGDXVDBEWKACR-NDZAJKAJSA-N 0 0 633.122 6.210 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409011316 1071687325 /nfs/dbraw/zinc/68/73/25/1071687325.db2.gz GAKSPDLWPTWANC-XQNSMLJCSA-N 0 0 583.426 5.032 40 10 KKCBRN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000409010757 1071689780 /nfs/dbraw/zinc/68/97/80/1071689780.db2.gz KZOVCYNTGOEFED-VMTJQQBPSA-N 0 0 519.066 6.882 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010790 1071690450 /nfs/dbraw/zinc/69/04/50/1071690450.db2.gz LIRKCHUIMASRAH-UZWMFBFFSA-N 0 0 645.177 7.325 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409010424 1071692602 /nfs/dbraw/zinc/69/26/02/1071692602.db2.gz DVUCXEKEACUTLN-XKZIYDEJSA-N 0 0 529.851 7.322 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010056 1071693217 /nfs/dbraw/zinc/69/32/17/1071693217.db2.gz JIXYQGJMRMTAJQ-ZCTHSVRISA-N 0 0 647.149 6.518 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009950 1071694013 /nfs/dbraw/zinc/69/40/13/1071694013.db2.gz IVOBIDXHGIPXOF-NJZRLIGZSA-N 0 0 691.202 6.257 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409009788 1071694660 /nfs/dbraw/zinc/69/46/60/1071694660.db2.gz BYKUQOQODDWWKH-KGENOOAVSA-N 0 0 568.413 5.109 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409008938 1071697681 /nfs/dbraw/zinc/69/76/81/1071697681.db2.gz AMSRBYKIKNZXIO-LPYMAVHISA-N 0 0 542.886 6.074 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409007335 1071703479 /nfs/dbraw/zinc/70/34/79/1071703479.db2.gz NWMWXEXGPVHAFL-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409008612 1071698879 /nfs/dbraw/zinc/69/88/79/1071698879.db2.gz YRHRKSFCUKCSHV-UHFFFAOYSA-N 0 0 577.662 5.769 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008292 1071700419 /nfs/dbraw/zinc/70/04/19/1071700419.db2.gz VIYJBOANHWEWQP-UHFFFAOYSA-N 0 0 697.857 7.929 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1OC ZINC000408758466 1071705120 /nfs/dbraw/zinc/70/51/20/1071705120.db2.gz KKXHSPJJZBIRNB-PTGBLXJZSA-N 0 0 509.005 7.572 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409026843 1071705387 /nfs/dbraw/zinc/70/53/87/1071705387.db2.gz ZSZATQJWVZLMET-ZDLGFXPLSA-N 0 0 556.809 5.029 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409026887 1071705868 /nfs/dbraw/zinc/70/58/68/1071705868.db2.gz DPABBAPKMOKMIV-FYJGNVAPSA-N 0 0 526.228 6.597 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)S1 ZINC000409025087 1071709949 /nfs/dbraw/zinc/70/99/49/1071709949.db2.gz LIYLMIIGLJWLCW-IDUWFGFVSA-N 0 0 500.201 5.441 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024925 1071710327 /nfs/dbraw/zinc/71/03/27/1071710327.db2.gz ZCLZOTPVOWTCGR-SJXDCSIJSA-N 0 0 604.172 5.956 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024408 1071712753 /nfs/dbraw/zinc/71/27/53/1071712753.db2.gz RYMDJTNAFXAABU-GJKZIJEQSA-N 0 0 598.769 5.061 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408767209 1071715103 /nfs/dbraw/zinc/71/51/03/1071715103.db2.gz DYXWBVYIRREBPI-OIUASMPBSA-N 0 0 566.101 6.519 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409022325 1071719381 /nfs/dbraw/zinc/71/93/81/1071719381.db2.gz KATAGUBQEZHUFA-DDIUQFJASA-N 0 0 599.753 5.312 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408765294 1071724307 /nfs/dbraw/zinc/72/43/07/1071724307.db2.gz OVOVUDRWZNDOIG-YBFXNURJSA-N 0 0 562.703 8.459 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409020850 1071724778 /nfs/dbraw/zinc/72/47/78/1071724778.db2.gz USLXVLBBYBKHLO-KGENOOAVSA-N 0 0 512.393 5.426 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408765278 1071725166 /nfs/dbraw/zinc/72/51/66/1071725166.db2.gz XOFLBNMOYWPYGJ-QZVQSRICSA-N 0 0 664.740 5.269 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409020566 1071726051 /nfs/dbraw/zinc/72/60/51/1071726051.db2.gz QQEPEAXOBIKLAL-OEAKJJBVSA-N 0 0 596.467 5.725 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408764952 1071726507 /nfs/dbraw/zinc/72/65/07/1071726507.db2.gz NZYTZMXSELPANH-CPNJWEJPSA-N 0 0 511.803 7.291 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409020359 1071726570 /nfs/dbraw/zinc/72/65/70/1071726570.db2.gz OLWLSPTVNZFSAY-RDRPBHBLSA-N 0 0 637.541 6.855 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409020115 1071727933 /nfs/dbraw/zinc/72/79/33/1071727933.db2.gz LYTDSSKEELHXEC-OYKKKHCWSA-N 0 0 523.460 7.285 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409019725 1071729139 /nfs/dbraw/zinc/72/91/39/1071729139.db2.gz KHZMIELBKNIKKR-LQKURTRISA-N 0 0 597.133 5.961 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409019352 1071730027 /nfs/dbraw/zinc/73/00/27/1071730027.db2.gz YUYIGZKKUSSWRW-NDZAJKAJSA-N 0 0 651.568 7.245 40 10 KKCBRN Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)ccc1Br ZINC000408763715 1071730549 /nfs/dbraw/zinc/73/05/49/1071730549.db2.gz QKFVIVWUFKYYOW-RRAHZORUSA-N 0 0 602.488 7.549 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409018942 1071730914 /nfs/dbraw/zinc/73/09/14/1071730914.db2.gz ZLDVWQMSFSNEGE-XIEYBQDHSA-N 0 0 515.635 5.225 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037007 1071737770 /nfs/dbraw/zinc/73/77/70/1071737770.db2.gz SDWAXABJPMLOMN-XIQRNRDISA-N 0 0 691.850 6.581 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000409036438 1071742528 /nfs/dbraw/zinc/74/25/28/1071742528.db2.gz WESCRVGSTNYHPU-HRIDGTDGSA-N 0 0 634.596 5.756 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000409036477 1071742995 /nfs/dbraw/zinc/74/29/95/1071742995.db2.gz RMDLLSPYEIEWMK-CXUHLZMHSA-N 0 0 536.884 6.819 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036408 1071744300 /nfs/dbraw/zinc/74/43/00/1071744300.db2.gz LDALYRDVEMVPJU-LXKZMGPHSA-N 0 0 669.844 6.019 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036406 1071744343 /nfs/dbraw/zinc/74/43/43/1071744343.db2.gz VZOBLAJHKPGEKK-LHOSBTIMSA-N 0 0 679.795 5.310 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036111 1071746604 /nfs/dbraw/zinc/74/66/04/1071746604.db2.gz KONPBQISJIWDTL-OLORFIMPSA-N 0 0 782.743 6.481 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC(C)C)c(OC)c3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409035268 1071752001 /nfs/dbraw/zinc/75/20/01/1071752001.db2.gz RTDFRTGTJOVDKQ-ISZRBDKASA-N 0 0 657.789 5.178 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035325 1071752452 /nfs/dbraw/zinc/75/24/52/1071752452.db2.gz JPLMRTIHYURIJR-OQNQOILNSA-N 0 0 804.749 7.042 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408776552 1071748598 /nfs/dbraw/zinc/74/85/98/1071748598.db2.gz PLJPKFOMSRAOTA-YUMHPJSZSA-N 0 0 545.035 6.358 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409035180 1071753942 /nfs/dbraw/zinc/75/39/42/1071753942.db2.gz JAZLGUVIHSXFIJ-ULJHMMPZSA-N 0 0 569.533 8.313 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408775353 1071756419 /nfs/dbraw/zinc/75/64/19/1071756419.db2.gz GTMILKDAWBTKKO-MYYYXRDXSA-N 0 0 516.981 5.543 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409034087 1071762321 /nfs/dbraw/zinc/76/23/21/1071762321.db2.gz HDDVUIUNXUCBFC-AUWJEWJLSA-N 0 0 545.266 7.213 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408774808 1071758456 /nfs/dbraw/zinc/75/84/56/1071758456.db2.gz DBVPYFDLRMOGFE-JDCMOKTRSA-N 0 0 590.749 6.296 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)sc2=N1 ZINC000409034384 1071759374 /nfs/dbraw/zinc/75/93/74/1071759374.db2.gz NMAQYDAJARPWNL-UDHMSBBDSA-N 0 0 672.634 7.092 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409033723 1071766689 /nfs/dbraw/zinc/76/66/89/1071766689.db2.gz PDDNFXNJZCCBHK-UWVJOHFNSA-N 0 0 561.350 7.201 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033637 1071769610 /nfs/dbraw/zinc/76/96/10/1071769610.db2.gz FVXKJXLFYBSKCA-VCLSCOGJSA-N 0 0 671.816 5.280 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(I)cc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2OC)cc1 ZINC000409033289 1071771672 /nfs/dbraw/zinc/77/16/72/1071771672.db2.gz KUFQGGLAOCTFMM-MFOYZWKCSA-N 0 0 686.371 6.557 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032821 1071775938 /nfs/dbraw/zinc/77/59/38/1071775938.db2.gz DOFKJXWLJIDODH-UHGLXVSNSA-N 0 0 705.833 5.823 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409031969 1071783987 /nfs/dbraw/zinc/78/39/87/1071783987.db2.gz IFJBEMBOFWLFTF-QRVIBDJDSA-N 0 0 589.520 6.889 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409031989 1071784025 /nfs/dbraw/zinc/78/40/25/1071784025.db2.gz HUWARLZXCUZRCW-MHWRWJLKSA-N 0 0 578.368 8.115 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(OC)c(OC)cc3Br)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408769549 1071791782 /nfs/dbraw/zinc/79/17/82/1071791782.db2.gz NSLJHVOWAXNZCZ-BXMULHQWSA-N 0 0 708.631 5.162 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl ZINC000409031027 1071791118 /nfs/dbraw/zinc/79/11/18/1071791118.db2.gz GINDKCXVBFCDFL-ONNFQVAWSA-N 0 0 523.241 5.437 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)sc2=N1 ZINC000409031417 1071789659 /nfs/dbraw/zinc/78/96/59/1071789659.db2.gz AOHUKAUKXBWNPD-ITNPZBTBSA-N 0 0 648.623 6.066 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408769383 1071792393 /nfs/dbraw/zinc/79/23/93/1071792393.db2.gz SLQAGZLOYUBCQX-XKZIYDEJSA-N 0 0 511.405 6.287 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030440 1071796739 /nfs/dbraw/zinc/79/67/39/1071796739.db2.gz DGWDWWSHKFPBSW-DWBFVIGNSA-N 0 0 713.853 5.174 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409030852 1071795266 /nfs/dbraw/zinc/79/52/66/1071795266.db2.gz IFEAEHFEKRXILW-WQRHYEAKSA-N 0 0 598.399 7.920 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409030015 1071801965 /nfs/dbraw/zinc/80/19/65/1071801965.db2.gz BPFSRVMYGLEMFZ-JAIQZWGSSA-N 0 0 524.477 6.423 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409030023 1071802080 /nfs/dbraw/zinc/80/20/80/1071802080.db2.gz BQPJTRZZOMGAER-NSIKDUERSA-N 0 0 627.276 6.346 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409029943 1071803150 /nfs/dbraw/zinc/80/31/50/1071803150.db2.gz DIWAULJVXMORIF-GRSHGNNSSA-N 0 0 598.399 7.920 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)sc2=N1 ZINC000409029397 1071809513 /nfs/dbraw/zinc/80/95/13/1071809513.db2.gz ALHDNTJUTUUSOR-DUCIMOQJSA-N 0 0 621.734 5.924 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408782387 1071810576 /nfs/dbraw/zinc/81/05/76/1071810576.db2.gz HRRDXTDOFKGEQW-PTGBLXJZSA-N 0 0 535.581 7.434 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1F ZINC000409038153 1071817531 /nfs/dbraw/zinc/81/75/31/1071817531.db2.gz DSSAUPRFDBISIH-GDNBJRDFSA-N 0 0 506.402 5.915 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408781120 1071819961 /nfs/dbraw/zinc/81/99/61/1071819961.db2.gz ACEXWDFJGAEPHR-IMRQLAEWSA-N 0 0 544.579 5.509 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408779534 1071829413 /nfs/dbraw/zinc/82/94/13/1071829413.db2.gz XXUQQOSVDOJQIW-OCDQFKQQSA-N 0 0 611.098 6.427 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409046649 1071829324 /nfs/dbraw/zinc/82/93/24/1071829324.db2.gz KXEDCEMPDSWAIY-UHFFFAOYSA-N 0 0 696.373 6.871 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O ZINC000409046229 1071833305 /nfs/dbraw/zinc/83/33/05/1071833305.db2.gz JJCRQPLRSSTMFA-YBFXNURJSA-N 0 0 568.811 5.095 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409045429 1071840618 /nfs/dbraw/zinc/84/06/18/1071840618.db2.gz YJTNTEQYJKNBJH-CIAFOILYSA-N 0 0 605.124 7.359 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408777587 1071841960 /nfs/dbraw/zinc/84/19/60/1071841960.db2.gz CPRCELZTSSIOKJ-MUXKCCDJSA-N 0 0 581.610 6.090 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)c1 ZINC000408777668 1071842081 /nfs/dbraw/zinc/84/20/81/1071842081.db2.gz FNYSFUPDRXJQDS-UTAOYMJKSA-N 0 0 588.733 5.598 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409045985 1071836635 /nfs/dbraw/zinc/83/66/35/1071836635.db2.gz QRUQNHKWRJXXAF-LZYBPNLTSA-N 0 0 581.881 6.728 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408777433 1071843321 /nfs/dbraw/zinc/84/33/21/1071843321.db2.gz ZADBSZLGOHZESA-KQWNVCNZSA-N 0 0 532.980 5.243 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408786952 1071846433 /nfs/dbraw/zinc/84/64/33/1071846433.db2.gz YMWGNIYNGDRFKO-ATGXDJACSA-N 0 0 524.617 5.519 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408786732 1071849015 /nfs/dbraw/zinc/84/90/15/1071849015.db2.gz VRUSHNZQHZTUBL-TYRKEJLSSA-N 0 0 589.486 5.973 40 10 KKCBRN CCOc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409044460 1071848170 /nfs/dbraw/zinc/84/81/70/1071848170.db2.gz CLQNXNIMSBSPRN-UHFFFAOYSA-N 0 0 570.237 6.194 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408786615 1071848274 /nfs/dbraw/zinc/84/82/74/1071848274.db2.gz SUQAYRSPKMZGIF-DDBFQISPSA-N 0 0 579.747 5.934 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044589 1071849612 /nfs/dbraw/zinc/84/96/12/1071849612.db2.gz GZVKPNWWBPRZPW-OKMHPQNISA-N 0 0 644.750 5.218 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408785814 1071854935 /nfs/dbraw/zinc/85/49/35/1071854935.db2.gz ZPDZNWJAOGKGGK-XHFXOGKZSA-N 0 0 565.453 6.127 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000408785758 1071855125 /nfs/dbraw/zinc/85/51/25/1071855125.db2.gz BQAFEHCCIDLDIP-ULJHMMPZSA-N 0 0 538.566 6.779 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408785660 1071856236 /nfs/dbraw/zinc/85/62/36/1071856236.db2.gz XWBZWWOWFCEOOP-UHFFFAOYSA-N 0 0 607.928 7.643 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000409043528 1071858762 /nfs/dbraw/zinc/85/87/62/1071858762.db2.gz ROHGTVCNPSMLIB-YBFXNURJSA-N 0 0 529.351 5.777 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)c1 ZINC000408785124 1071860040 /nfs/dbraw/zinc/86/00/40/1071860040.db2.gz YUAAZXTYRZDGQF-FVUNBJOLSA-N 0 0 714.629 6.203 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409042663 1071868418 /nfs/dbraw/zinc/86/84/18/1071868418.db2.gz XJDWYZBWWOIBAK-SXGWCWSVSA-N 0 0 527.276 7.074 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408797142 1071876119 /nfs/dbraw/zinc/87/61/19/1071876119.db2.gz BJROIMZKXGEIFU-CPZNBERHSA-N 0 0 520.722 8.301 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041155 1071883296 /nfs/dbraw/zinc/88/32/96/1071883296.db2.gz ZIRBBYIIIJVTPG-VSQRRKBNSA-N 0 0 627.807 6.125 40 10 KKCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409041188 1071883810 /nfs/dbraw/zinc/88/38/10/1071883810.db2.gz JAZZEVRNDTXZLD-UHFFFAOYSA-N 0 0 565.070 5.012 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409041561 1071878125 /nfs/dbraw/zinc/87/81/25/1071878125.db2.gz APHVTCMFKSFLBY-RIYZIHGNSA-N 0 0 534.353 5.797 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409041620 1071878770 /nfs/dbraw/zinc/87/87/70/1071878770.db2.gz KDIPKLFAHJSRFB-LPYMAVHISA-N 0 0 534.410 5.590 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409041438 1071879897 /nfs/dbraw/zinc/87/98/97/1071879897.db2.gz VWCZDPZPSCJUJQ-LICLKQGHSA-N 0 0 503.383 5.675 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409041454 1071880062 /nfs/dbraw/zinc/88/00/62/1071880062.db2.gz AENNYQHUTDXHDG-GWRYVSOYSA-N 0 0 774.519 6.670 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409040837 1071886297 /nfs/dbraw/zinc/88/62/97/1071886297.db2.gz UVDFMYRQTYBZKG-JAIQZWGSSA-N 0 0 632.383 6.889 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409040756 1071888048 /nfs/dbraw/zinc/88/80/48/1071888048.db2.gz ULEHGCTVINLPTJ-RIYZIHGNSA-N 0 0 571.727 7.183 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409040481 1071890827 /nfs/dbraw/zinc/89/08/27/1071890827.db2.gz YEXGPPSDOZPNOD-XKZIYDEJSA-N 0 0 531.484 7.344 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040107 1071892586 /nfs/dbraw/zinc/89/25/86/1071892586.db2.gz XRYVPKWBHUYZEN-AFLVIPEISA-N 0 0 760.740 7.887 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409039492 1071897530 /nfs/dbraw/zinc/89/75/30/1071897530.db2.gz WRVAPHMWWBGPKS-CRCYZHLCSA-N 0 0 637.543 5.119 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408788764 1071897957 /nfs/dbraw/zinc/89/79/57/1071897957.db2.gz GNYHDKOMRSQCDZ-NLULDLIBSA-N 0 0 531.008 5.791 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409038661 1071905865 /nfs/dbraw/zinc/90/58/65/1071905865.db2.gz PYTDNGKVQDODEF-SCDVKCJHSA-N 0 0 561.350 7.201 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409038743 1071906776 /nfs/dbraw/zinc/90/67/76/1071906776.db2.gz FLVMNOBVMBNEKJ-CHHVJCJISA-N 0 0 648.753 7.034 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408805225 1071907005 /nfs/dbraw/zinc/90/70/05/1071907005.db2.gz FBDDZFPLSCXKMZ-SVPNNHLASA-N 0 0 596.558 7.753 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC1=S ZINC000409047334 1071909908 /nfs/dbraw/zinc/90/99/08/1071909908.db2.gz UBKKRWLHQOOWTO-NVMNQCDNSA-N 0 0 586.327 6.556 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409047314 1071910008 /nfs/dbraw/zinc/91/00/08/1071910008.db2.gz OEAQUOXLXQONQD-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049471 1071912834 /nfs/dbraw/zinc/91/28/34/1071912834.db2.gz XAKCAZZKUGMJJG-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409057246 1071917701 /nfs/dbraw/zinc/91/77/01/1071917701.db2.gz VESHVYNUFYRUCV-GBHWKOKZSA-N 0 0 593.749 5.325 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409056556 1071921289 /nfs/dbraw/zinc/92/12/89/1071921289.db2.gz HBRYFOCSKUHWJF-RMORIDSASA-N 0 0 541.431 6.295 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1 ZINC000409054369 1071934627 /nfs/dbraw/zinc/93/46/27/1071934627.db2.gz VEZDFQQYVLZUTM-UCQKPKSFSA-N 0 0 510.478 6.738 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409053579 1071939310 /nfs/dbraw/zinc/93/93/10/1071939310.db2.gz NDDLTEOHVLUKGS-FMCGGJTJSA-N 0 0 500.472 7.282 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409054033 1071936070 /nfs/dbraw/zinc/93/60/70/1071936070.db2.gz LXKXQWKLKMGWBZ-ASZNLBCTSA-N 0 0 624.601 5.258 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409053800 1071936558 /nfs/dbraw/zinc/93/65/58/1071936558.db2.gz PUPBIOUWNWIUKC-QRVIBDJDSA-N 0 0 574.949 7.400 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409053868 1071937097 /nfs/dbraw/zinc/93/70/97/1071937097.db2.gz RFQLCXIBRBZGOJ-FMCGGJTJSA-N 0 0 609.394 8.053 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409051074 1071953655 /nfs/dbraw/zinc/95/36/55/1071953655.db2.gz IGIPQWOCFNPERJ-QRVIBDJDSA-N 0 0 514.043 6.777 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409049114 1071968275 /nfs/dbraw/zinc/96/82/75/1071968275.db2.gz QBDYXJJWYRYOKG-YBFXNURJSA-N 0 0 529.807 6.509 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409048126 1071973228 /nfs/dbraw/zinc/97/32/28/1071973228.db2.gz QHNYINUQVVRCFN-UHFFFAOYSA-N 0 0 646.335 7.682 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047719 1071977810 /nfs/dbraw/zinc/97/78/10/1071977810.db2.gz QFKKQSIWLORDAN-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409059339 1071980354 /nfs/dbraw/zinc/98/03/54/1071980354.db2.gz WNPKNEJWEWUJNW-MOSHPQCFSA-N 0 0 541.431 6.295 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409059335 1071982261 /nfs/dbraw/zinc/98/22/61/1071982261.db2.gz MLFZTOCCGBORBK-OYKKKHCWSA-N 0 0 505.014 6.250 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409059129 1071982835 /nfs/dbraw/zinc/98/28/35/1071982835.db2.gz PQHIQRYNMXKSJF-IAOUMNOZSA-N 0 0 624.601 5.258 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409058684 1071985819 /nfs/dbraw/zinc/98/58/19/1071985819.db2.gz VBPJNYALKFOFPW-HAHDFKILSA-N 0 0 516.594 5.306 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409058851 1071984827 /nfs/dbraw/zinc/98/48/27/1071984827.db2.gz LSUCRGXSRCTITN-KQWNVCNZSA-N 0 0 518.997 5.801 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058856 1071984835 /nfs/dbraw/zinc/98/48/35/1071984835.db2.gz LTOWZMQRVHZYFN-OYKKKHCWSA-N 0 0 521.013 5.638 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409058483 1071986575 /nfs/dbraw/zinc/98/65/75/1071986575.db2.gz NJDRDGWMNAPOGR-IWIPYMOSSA-N 0 0 505.412 6.042 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409058360 1071987087 /nfs/dbraw/zinc/98/70/87/1071987087.db2.gz MUULIMBKRGYOCC-BWAHOGKJSA-N 0 0 544.648 5.344 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409057922 1071989747 /nfs/dbraw/zinc/98/97/47/1071989747.db2.gz WZFTVNOWAKPZGU-HAHDFKILSA-N 0 0 535.438 6.051 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409057796 1071990807 /nfs/dbraw/zinc/99/08/07/1071990807.db2.gz LBSCRUJCBNPZQM-QRVIBDJDSA-N 0 0 521.013 5.950 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409057535 1071993144 /nfs/dbraw/zinc/99/31/44/1071993144.db2.gz HDNVVMGNQAAASF-POKSHJSXSA-N 0 0 614.167 5.506 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409066015 1072005751 /nfs/dbraw/zinc/00/57/51/1072005751.db2.gz VLPHLQQDMUDCFP-RGXNXFOYSA-N 0 0 677.783 6.824 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409064562 1072015112 /nfs/dbraw/zinc/01/51/12/1072015112.db2.gz PXIISRQSIJRUML-UHFFFAOYSA-N 0 0 540.417 6.440 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409064576 1072015139 /nfs/dbraw/zinc/01/51/39/1072015139.db2.gz DJQIJAIFJSEIJC-FMCGGJTJSA-N 0 0 559.382 6.753 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409064326 1072015161 /nfs/dbraw/zinc/01/51/61/1072015161.db2.gz OXXDPKZHRZQYDS-UHFFFAOYSA-N 0 0 608.632 5.369 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409065299 1072011499 /nfs/dbraw/zinc/01/14/99/1072011499.db2.gz FRWFTJWDGVIZAI-GNHLTWFNSA-N 0 0 591.777 6.049 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409062429 1072023850 /nfs/dbraw/zinc/02/38/50/1072023850.db2.gz USPFOKWUEKJETI-UHFFFAOYSA-N 0 0 582.937 5.195 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409062316 1072025273 /nfs/dbraw/zinc/02/52/73/1072025273.db2.gz RRMKPUZJAZIXBY-XYGWBWBKSA-N 0 0 519.439 6.432 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409062939 1072022985 /nfs/dbraw/zinc/02/29/85/1072022985.db2.gz DEHRGQPKIRUANH-QQXSKIMKSA-N 0 0 527.581 5.265 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409061253 1072029917 /nfs/dbraw/zinc/02/99/17/1072029917.db2.gz CFLBWGDISSEPOK-IWIPYMOSSA-N 0 0 505.014 6.332 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409060689 1072032833 /nfs/dbraw/zinc/03/28/33/1072032833.db2.gz SWDQGXIJMRTMKA-UCQKPKSFSA-N 0 0 525.432 6.677 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 ZINC000409060413 1072034414 /nfs/dbraw/zinc/03/44/14/1072034414.db2.gz ZRZCGWCCDXEALJ-UHFFFAOYSA-N 0 0 561.594 5.605 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409060013 1072036976 /nfs/dbraw/zinc/03/69/76/1072036976.db2.gz UNCNXUBCBCFALE-AQHIEDMUSA-N 0 0 529.851 7.240 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076652 1072048940 /nfs/dbraw/zinc/04/89/40/1072048940.db2.gz BOIOSGKQAIAEIC-JLPGSUDCSA-N 0 0 588.299 7.625 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409074725 1072066405 /nfs/dbraw/zinc/06/64/05/1072066405.db2.gz VCCMTHXPMZENFE-UHFFFAOYSA-N 0 0 637.895 6.454 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074153 1072069990 /nfs/dbraw/zinc/06/99/90/1072069990.db2.gz SFSWEORQUHVXAX-UDWIEESQSA-N 0 0 521.809 6.221 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409072787 1072079474 /nfs/dbraw/zinc/07/94/74/1072079474.db2.gz SLOAXTGKDHRBGX-FHMSYZJOSA-N 0 0 580.150 5.231 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409072662 1072080815 /nfs/dbraw/zinc/08/08/15/1072080815.db2.gz RIDXEWPUKBBIGA-BKUYFWCQSA-N 0 0 525.830 6.387 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409072679 1072080861 /nfs/dbraw/zinc/08/08/61/1072080861.db2.gz RSJFBUKIRYLYRM-HSUOJCLFSA-N 0 0 569.130 5.436 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409071799 1072086769 /nfs/dbraw/zinc/08/67/69/1072086769.db2.gz LMWOPSBFPSCIOB-FJEPWZHXSA-N 0 0 523.652 6.794 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409071877 1072087510 /nfs/dbraw/zinc/08/75/10/1072087510.db2.gz QECQGENUXULDGW-UQQQWYQISA-N 0 0 523.471 6.420 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070064 1072097953 /nfs/dbraw/zinc/09/79/53/1072097953.db2.gz MVDOBJPOYJVJJL-UHFFFAOYSA-N 0 0 667.921 6.462 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409067706 1072116109 /nfs/dbraw/zinc/11/61/09/1072116109.db2.gz YYSVFULANLMBLS-UHFFFAOYSA-N 0 0 592.564 5.204 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409080684 1072120164 /nfs/dbraw/zinc/12/01/64/1072120164.db2.gz MGVKOFYRXQNYOE-UMUMUWHJSA-N 0 0 534.497 5.725 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409080717 1072120594 /nfs/dbraw/zinc/12/05/94/1072120594.db2.gz MJVXZXSVTGRMDG-ZJVWCJDDSA-N 0 0 540.504 6.562 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409080528 1072121465 /nfs/dbraw/zinc/12/14/65/1072121465.db2.gz FDMHRKFLNLNMDE-COEJQBHMSA-N 0 0 559.065 8.305 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409080178 1072126445 /nfs/dbraw/zinc/12/64/45/1072126445.db2.gz MJEXQSWAHXPVJY-UZQMFHLOSA-N 0 0 568.942 6.460 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409079988 1072127892 /nfs/dbraw/zinc/12/78/92/1072127892.db2.gz CRTONYCNWXGUTP-ACHQHTMYSA-N 0 0 646.769 5.385 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409079528 1072132712 /nfs/dbraw/zinc/13/27/12/1072132712.db2.gz KRCXUYZNRCQBCS-JLPGSUDCSA-N 0 0 652.364 7.122 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409078723 1072143069 /nfs/dbraw/zinc/14/30/69/1072143069.db2.gz JHWMIAXYVJSGCK-DMOKECBHSA-N 0 0 636.360 6.566 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)S1 ZINC000409078313 1072147739 /nfs/dbraw/zinc/14/77/39/1072147739.db2.gz HXUQFBUYSRPCQQ-LZYBPNLTSA-N 0 0 544.652 5.550 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409078044 1072148236 /nfs/dbraw/zinc/14/82/36/1072148236.db2.gz HFCUYYAZLRCMCD-MTEVNVADSA-N 0 0 524.491 6.351 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409078170 1072149671 /nfs/dbraw/zinc/14/96/71/1072149671.db2.gz GVDUWDLRFBEFQF-UHFFFAOYSA-N 0 0 694.525 8.006 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409078017 1072151005 /nfs/dbraw/zinc/15/10/05/1072151005.db2.gz HGVNXEQZRKVHFI-ITYLOYPMSA-N 0 0 588.299 7.625 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409086954 1072159658 /nfs/dbraw/zinc/15/96/58/1072159658.db2.gz SENFFHOYAQZCGU-UHFFFAOYSA-N 0 0 601.428 6.759 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409086354 1072165845 /nfs/dbraw/zinc/16/58/45/1072165845.db2.gz QMLNPJYCKISTSY-ONUIUJJFSA-N 0 0 526.995 7.291 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409085619 1072174338 /nfs/dbraw/zinc/17/43/38/1072174338.db2.gz DYTYJMMRIMTXLJ-LAUBZIAYSA-N 0 0 573.162 5.473 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085424 1072178880 /nfs/dbraw/zinc/17/88/80/1072178880.db2.gz ZHHQYNSWPUJQQR-XYGWBWBKSA-N 0 0 517.387 7.546 40 10 KKCBRN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085219 1072179980 /nfs/dbraw/zinc/17/99/80/1072179980.db2.gz RSQFCOWXLLBFIN-MOHJPFBDSA-N 0 0 559.441 6.051 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409085310 1072181083 /nfs/dbraw/zinc/18/10/83/1072181083.db2.gz ZDFSCWJZRYWEPV-ONUIUJJFSA-N 0 0 632.352 8.024 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409084970 1072183708 /nfs/dbraw/zinc/18/37/08/1072183708.db2.gz YATJMVCYBRAIHP-IMRQLAEWSA-N 0 0 614.483 7.412 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000409084061 1072193420 /nfs/dbraw/zinc/19/34/20/1072193420.db2.gz WTYJALYGZIIWPS-CXABMRDKSA-N 0 0 574.706 5.290 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000409081975 1072215943 /nfs/dbraw/zinc/21/59/43/1072215943.db2.gz RCPIAWAOEPIRBR-AOFXREQWSA-N 0 0 588.733 5.598 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081810 1072220794 /nfs/dbraw/zinc/22/07/94/1072220794.db2.gz QIQRIBYHIRECSL-ZTJHJZSNSA-N 0 0 695.592 5.284 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409081253 1072223950 /nfs/dbraw/zinc/22/39/50/1072223950.db2.gz PGMFMXBVZSGIKT-UHFFFAOYSA-N 0 0 617.496 6.924 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409096867 1072230591 /nfs/dbraw/zinc/23/05/91/1072230591.db2.gz LIEGXIWKJZCLSS-ZMTYCLHQSA-N 0 0 724.665 5.441 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccccc1 ZINC000409096766 1072231918 /nfs/dbraw/zinc/23/19/18/1072231918.db2.gz LYTMICRXZVZWJL-RDRPBHBLSA-N 0 0 584.694 7.462 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 ZINC000409095624 1072238986 /nfs/dbraw/zinc/23/89/86/1072238986.db2.gz DDDQZQGZHQXPDU-UDWIEESQSA-N 0 0 513.413 6.246 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=S)c1 ZINC000409096567 1072234233 /nfs/dbraw/zinc/23/42/33/1072234233.db2.gz FZTHBVCZNVNDPC-MUFRIFMGSA-N 0 0 632.569 8.794 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409095863 1072236608 /nfs/dbraw/zinc/23/66/08/1072236608.db2.gz DQSNIAPDMPCZQX-WKULSOCRSA-N 0 0 653.584 8.768 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409095289 1072240611 /nfs/dbraw/zinc/24/06/11/1072240611.db2.gz AMUOOLXXFQHRPB-HZHRSRAPSA-N 0 0 571.493 7.035 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000409327238 1072242437 /nfs/dbraw/zinc/24/24/37/1072242437.db2.gz INJPTIDJJFCHKV-CIAFOILYSA-N 0 0 509.565 5.026 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1O ZINC000409326440 1072247649 /nfs/dbraw/zinc/24/76/49/1072247649.db2.gz BTTLXSVCNRWGDY-NVNXTCNLSA-N 0 0 517.797 5.455 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409326891 1072244065 /nfs/dbraw/zinc/24/40/65/1072244065.db2.gz GBUPEIFGJBUOCD-FYJGNVAPSA-N 0 0 518.638 5.205 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094761 1072244409 /nfs/dbraw/zinc/24/44/09/1072244409.db2.gz GAKJCIGOUXQNLP-PQRKSKNISA-N 0 0 573.162 5.473 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409093413 1072252838 /nfs/dbraw/zinc/25/28/38/1072252838.db2.gz ZXSDYUMNVIGKLB-DIBXZPPDSA-N 0 0 509.403 6.863 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OC ZINC000409094058 1072249281 /nfs/dbraw/zinc/24/92/81/1072249281.db2.gz CWZYDHCDWKLFIQ-LPYMAVHISA-N 0 0 587.492 6.654 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)C2=O)cc1 ZINC000409093910 1072249730 /nfs/dbraw/zinc/24/97/30/1072249730.db2.gz BOOLLHLORYLHFN-OVVQPSECSA-N 0 0 546.693 6.014 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409093384 1072252221 /nfs/dbraw/zinc/25/22/21/1072252221.db2.gz ZJWDWYWJBMFRJE-ONUIUJJFSA-N 0 0 554.002 7.060 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409093167 1072256517 /nfs/dbraw/zinc/25/65/17/1072256517.db2.gz XSFPZBYZSAJONN-WSLMLHKMSA-N 0 0 614.337 6.079 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccccc3Cl)ccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409092735 1072260745 /nfs/dbraw/zinc/26/07/45/1072260745.db2.gz WBHZCIPEWSGNIZ-ANYBSYGZSA-N 0 0 515.012 7.907 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409092336 1072262206 /nfs/dbraw/zinc/26/22/06/1072262206.db2.gz UQHHSXYXGPZFQT-KOEQRZSOSA-N 0 0 545.085 7.449 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409092160 1072265832 /nfs/dbraw/zinc/26/58/32/1072265832.db2.gz VWSJBSLZGNRPJA-ULJHMMPZSA-N 0 0 589.467 6.060 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091290 1072274201 /nfs/dbraw/zinc/27/42/01/1072274201.db2.gz PEXRGJMHXYXDEQ-FZEVDNDPSA-N 0 0 664.622 5.684 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409090815 1072277839 /nfs/dbraw/zinc/27/78/39/1072277839.db2.gz OVWSAWCHVVCXOO-DZGUVLCISA-N 0 0 603.785 6.824 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)S1 ZINC000409090694 1072279709 /nfs/dbraw/zinc/27/97/09/1072279709.db2.gz NLCRQSQORPISQY-FRKPEAEDSA-N 0 0 544.652 5.550 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409090120 1072284891 /nfs/dbraw/zinc/28/48/91/1072284891.db2.gz LDJBIVKDYPEWQK-ONUIUJJFSA-N 0 0 587.901 7.915 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)NC1=S ZINC000409088971 1072294993 /nfs/dbraw/zinc/29/49/93/1072294993.db2.gz HYUFJXPJPGXXLB-WQRHYEAKSA-N 0 0 554.304 5.657 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088682 1072297697 /nfs/dbraw/zinc/29/76/97/1072297697.db2.gz XIZQXRFCJZCVRR-UQQQWYQISA-N 0 0 588.299 7.625 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088445 1072298068 /nfs/dbraw/zinc/29/80/68/1072298068.db2.gz JNSFTUFENMOHFM-FHQMNNMHSA-N 0 0 650.595 5.376 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2Br)cc1 ZINC000409102187 1072309512 /nfs/dbraw/zinc/30/95/12/1072309512.db2.gz DAXXJPORIPLABY-LQKURTRISA-N 0 0 633.564 8.134 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409101378 1072315806 /nfs/dbraw/zinc/31/58/06/1072315806.db2.gz XKMMDTARXWPUGL-UAMLYEQYSA-N 0 0 663.638 5.291 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409101371 1072315910 /nfs/dbraw/zinc/31/59/10/1072315910.db2.gz XKMMDTARXWPUGL-ITNPZBTBSA-N 0 0 663.638 5.291 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409101132 1072315920 /nfs/dbraw/zinc/31/59/20/1072315920.db2.gz VTISMFXFKMFQMZ-PCLIKHOPSA-N 0 0 571.102 7.037 40 10 KKCBRN CCCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409100039 1072322898 /nfs/dbraw/zinc/32/28/98/1072322898.db2.gz ULIMYUVTKAOJJW-LFVJCYFKSA-N 0 0 585.520 7.425 40 10 KKCBRN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409099728 1072324331 /nfs/dbraw/zinc/32/43/31/1072324331.db2.gz TTWDZSJOGKXWJP-HYARGMPZSA-N 0 0 513.015 6.536 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409100344 1072320969 /nfs/dbraw/zinc/32/09/69/1072320969.db2.gz UONBZBSTDAVDOM-LPYMAVHISA-N 0 0 634.492 6.496 40 10 KKCBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000409336058 1072334065 /nfs/dbraw/zinc/33/40/65/1072334065.db2.gz RKMKYFZWQUBTDD-UHFFFAOYSA-N 0 0 643.699 8.181 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409097904 1072334560 /nfs/dbraw/zinc/33/45/60/1072334560.db2.gz OHYWPJFOLIATOH-XSTKMXAKSA-N 0 0 637.177 5.321 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409097766 1072335500 /nfs/dbraw/zinc/33/55/00/1072335500.db2.gz OAEMLKGHFNWADS-XQNWCSQWSA-N 0 0 593.580 5.818 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409335775 1072336287 /nfs/dbraw/zinc/33/62/87/1072336287.db2.gz ZKCLRLJEVRXBLU-UDWIEESQSA-N 0 0 734.216 7.643 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1 ZINC000409335700 1072337595 /nfs/dbraw/zinc/33/75/95/1072337595.db2.gz YRBQUGZFXVBVML-JAIQZWGSSA-N 0 0 528.417 7.274 40 10 KKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409097394 1072338253 /nfs/dbraw/zinc/33/82/53/1072338253.db2.gz GOMJLJKNUFTCQY-PCLIKHOPSA-N 0 0 536.650 6.671 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409107087 1072338648 /nfs/dbraw/zinc/33/86/48/1072338648.db2.gz USAFQAXFDVYVJS-ZVHZXABRSA-N 0 0 706.555 6.429 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409335414 1072340225 /nfs/dbraw/zinc/34/02/25/1072340225.db2.gz ZTHXOXOWLOBPAR-OYKKKHCWSA-N 0 0 506.624 6.372 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409335166 1072340237 /nfs/dbraw/zinc/34/02/37/1072340237.db2.gz ZBYNVWDBUVGFJC-VEILYXNESA-N 0 0 511.668 7.532 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1Cl ZINC000409334857 1072342574 /nfs/dbraw/zinc/34/25/74/1072342574.db2.gz WSKGDXRCZXCYPT-YBFXNURJSA-N 0 0 506.830 6.777 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409334972 1072343057 /nfs/dbraw/zinc/34/30/57/1072343057.db2.gz YFFZUHSRPDHXKW-YDZHTSKRSA-N 0 0 556.643 5.394 40 10 KKCBRN S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000409334764 1072343637 /nfs/dbraw/zinc/34/36/37/1072343637.db2.gz MCWZRKOEFVWDNW-UHFFFAOYSA-N 0 0 501.615 5.970 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409334813 1072344063 /nfs/dbraw/zinc/34/40/63/1072344063.db2.gz WHZSWBLVTDMLDS-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409334795 1072344101 /nfs/dbraw/zinc/34/41/01/1072344101.db2.gz XRCVKNMBRYLGDO-YSMPRRRNSA-N 0 0 691.534 8.847 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409334836 1072344572 /nfs/dbraw/zinc/34/45/72/1072344572.db2.gz XURFKMVFPGMXJV-JAIQZWGSSA-N 0 0 547.492 6.720 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409105438 1072350189 /nfs/dbraw/zinc/35/01/89/1072350189.db2.gz JKFFENHGHGVJAN-AFUMVMLFSA-N 0 0 539.053 6.314 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409333905 1072350270 /nfs/dbraw/zinc/35/02/70/1072350270.db2.gz FTLXLLNHXJJIJK-CFRMEGHHSA-N 0 0 530.498 7.685 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc(Br)cc1 ZINC000409334280 1072346737 /nfs/dbraw/zinc/34/67/37/1072346737.db2.gz VOIXUXJFRDHOFO-XYGWBWBKSA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409105839 1072347207 /nfs/dbraw/zinc/34/72/07/1072347207.db2.gz LEOMKQYBTMWESB-YDZHTSKRSA-N 0 0 521.415 5.005 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)SC1=S ZINC000409334167 1072348123 /nfs/dbraw/zinc/34/81/23/1072348123.db2.gz VUEMNESKNLALRA-MXAYSNPKSA-N 0 0 535.687 6.231 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1 ZINC000409105665 1072348219 /nfs/dbraw/zinc/34/82/19/1072348219.db2.gz LNQOVJFNRMVTHP-CEUNXORHSA-N 0 0 551.668 6.835 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409333947 1072350694 /nfs/dbraw/zinc/35/06/94/1072350694.db2.gz GHJUVEVSARHEJZ-CLCZQPDDSA-N 0 0 569.546 6.571 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1cccc2ccccc21 ZINC000409334095 1072349776 /nfs/dbraw/zinc/34/97/76/1072349776.db2.gz TXDUVDZZRTYEDS-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409105396 1072349758 /nfs/dbraw/zinc/34/97/58/1072349758.db2.gz IYXFEWZNCRCKAR-RYOBIWAXSA-N 0 0 559.135 5.165 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409333786 1072351455 /nfs/dbraw/zinc/35/14/55/1072351455.db2.gz VYRGWVKLFIAHHO-UKWGHVSLSA-N 0 0 649.388 8.593 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409105167 1072352127 /nfs/dbraw/zinc/35/21/27/1072352127.db2.gz JLMHPBSOPVLJFQ-UAMLYEQYSA-N 0 0 694.639 5.433 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409333436 1072353380 /nfs/dbraw/zinc/35/33/80/1072353380.db2.gz TUWYDEPEHZQDTE-LPYMAVHISA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409333291 1072354513 /nfs/dbraw/zinc/35/45/13/1072354513.db2.gz RRTQSAUZVPURGL-BUVRLJJBSA-N 0 0 661.543 6.649 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409333295 1072354523 /nfs/dbraw/zinc/35/45/23/1072354523.db2.gz RRTUQGIWPUMPEU-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409332981 1072356409 /nfs/dbraw/zinc/35/64/09/1072356409.db2.gz UBBIYENZQUXFRT-QQXSKIMKSA-N 0 0 528.611 6.741 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409103989 1072358426 /nfs/dbraw/zinc/35/84/26/1072358426.db2.gz IBFWILMNJRAFMB-WSDLNYQXSA-N 0 0 601.475 5.798 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409332823 1072357275 /nfs/dbraw/zinc/35/72/75/1072357275.db2.gz RMHDLQVQDCCZCR-XKZIYDEJSA-N 0 0 618.474 6.583 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)cc1 ZINC000409103432 1072360084 /nfs/dbraw/zinc/36/00/84/1072360084.db2.gz WOCLFYVVDVCSGP-VTNSRFBWSA-N 0 0 609.792 7.636 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409332418 1072361031 /nfs/dbraw/zinc/36/10/31/1072361031.db2.gz RJSOGVSOXSFUJB-VGOFMYFVSA-N 0 0 658.118 6.073 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)SC2=S)c1 ZINC000409103318 1072361066 /nfs/dbraw/zinc/36/10/66/1072361066.db2.gz GMRGFRIPOWKLPU-WPWMEQJKSA-N 0 0 619.537 7.825 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409332255 1072361996 /nfs/dbraw/zinc/36/19/96/1072361996.db2.gz QNMIAZBUYYHOJN-NKVSQWTQSA-N 0 0 571.334 8.294 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103278 1072362400 /nfs/dbraw/zinc/36/24/00/1072362400.db2.gz VTUYGZRKVNKLJZ-QYJHSCKRSA-N 0 0 612.796 5.120 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332075 1072363328 /nfs/dbraw/zinc/36/33/28/1072363328.db2.gz PXJGZXALOIRIMU-JJFYIABZSA-N 0 0 602.444 6.259 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1cccc(F)c1 ZINC000409330906 1072372845 /nfs/dbraw/zinc/37/28/45/1072372845.db2.gz NMBRNTUDYNCYSX-MYYYXRDXSA-N 0 0 506.023 7.617 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409331825 1072366632 /nfs/dbraw/zinc/36/66/32/1072366632.db2.gz OFPCKHNTVGDSGY-VCHYOVAHSA-N 0 0 520.375 5.708 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409331883 1072367004 /nfs/dbraw/zinc/36/70/04/1072367004.db2.gz PFLCKIOIGDHSED-NHDPSOOVSA-N 0 0 561.866 6.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OC ZINC000409331727 1072367819 /nfs/dbraw/zinc/36/78/19/1072367819.db2.gz PEPYFLVJPZMBDK-LICLKQGHSA-N 0 0 543.473 5.826 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409330948 1072373293 /nfs/dbraw/zinc/37/32/93/1072373293.db2.gz MQKHGELUTQNSGL-WSDLNYQXSA-N 0 0 589.920 6.534 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409330625 1072374965 /nfs/dbraw/zinc/37/49/65/1072374965.db2.gz LDHSQDMBEKWEOQ-WSDLNYQXSA-N 0 0 545.469 6.127 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409330692 1072375484 /nfs/dbraw/zinc/37/54/84/1072375484.db2.gz MDFUQDKAOLOHQP-JVWAILMASA-N 0 0 529.708 7.555 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409330722 1072375977 /nfs/dbraw/zinc/37/59/77/1072375977.db2.gz LOYQESJVWZJROR-HYARGMPZSA-N 0 0 538.050 5.212 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409330583 1072376806 /nfs/dbraw/zinc/37/68/06/1072376806.db2.gz KUZQSTQRPQTVDG-FBHDLOMBSA-N 0 0 520.434 7.126 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409330352 1072377229 /nfs/dbraw/zinc/37/72/29/1072377229.db2.gz KXFDMWBYPKZRME-NUGSKGIGSA-N 0 0 608.797 8.818 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409330168 1072378163 /nfs/dbraw/zinc/37/81/63/1072378163.db2.gz JUKGINYXKDKCIX-SRZZPIQSSA-N 0 0 595.418 7.361 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409330207 1072378553 /nfs/dbraw/zinc/37/85/53/1072378553.db2.gz JSNJKMOMJGOSCI-YBFXNURJSA-N 0 0 533.509 6.215 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409330196 1072378690 /nfs/dbraw/zinc/37/86/90/1072378690.db2.gz KMELGYAQBGKKII-FMCGGJTJSA-N 0 0 603.947 6.530 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409330034 1072379432 /nfs/dbraw/zinc/37/94/32/1072379432.db2.gz JDAVWVKVXDJJDW-PCLIKHOPSA-N 0 0 518.660 5.813 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409330020 1072382002 /nfs/dbraw/zinc/38/20/02/1072382002.db2.gz JQJYADFAUKTXGT-CIAFOILYSA-N 0 0 595.765 7.850 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409330138 1072380049 /nfs/dbraw/zinc/38/00/49/1072380049.db2.gz JKAABHZYGACRND-MXAYSNPKSA-N 0 0 544.525 7.994 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409329755 1072382047 /nfs/dbraw/zinc/38/20/47/1072382047.db2.gz HSOOQSQSEGWHIS-QRVIBDJDSA-N 0 0 574.949 7.713 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329904 1072380405 /nfs/dbraw/zinc/38/04/05/1072380405.db2.gz IOYZBDGSJHFKHC-OEAKJJBVSA-N 0 0 569.502 6.189 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409329594 1072383133 /nfs/dbraw/zinc/38/31/33/1072383133.db2.gz GLVHLUNRCGDCNC-ZVHZXABRSA-N 0 0 529.605 7.397 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409329636 1072383490 /nfs/dbraw/zinc/38/34/90/1072383490.db2.gz GUVOWGZAUKTDKC-YDZHTSKRSA-N 0 0 514.093 7.055 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409329702 1072383895 /nfs/dbraw/zinc/38/38/95/1072383895.db2.gz HDTCATGNYPMJIF-UKWGHVSLSA-N 0 0 675.207 8.411 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409329522 1072384823 /nfs/dbraw/zinc/38/48/23/1072384823.db2.gz FCVQPPAJFQURNL-APSNUPSMSA-N 0 0 566.269 6.065 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329286 1072387130 /nfs/dbraw/zinc/38/71/30/1072387130.db2.gz DGTNXLHPVARLBU-QFEZKATASA-N 0 0 556.923 8.785 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1Cl ZINC000409329257 1072387137 /nfs/dbraw/zinc/38/71/37/1072387137.db2.gz CXHJOVLGQIXVKE-UDWIEESQSA-N 0 0 518.443 6.494 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1F ZINC000409329116 1072388017 /nfs/dbraw/zinc/38/80/17/1072388017.db2.gz CVRZJULZQGCIAB-CIAFOILYSA-N 0 0 518.404 6.712 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1Cl ZINC000409328861 1072388426 /nfs/dbraw/zinc/38/84/26/1072388426.db2.gz BPKBTXWXTMAPCU-UUYOSTAYSA-N 0 0 532.470 6.995 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409328728 1072389970 /nfs/dbraw/zinc/38/99/70/1072389970.db2.gz ADUQRXIRWQBTSH-YDZHTSKRSA-N 0 0 619.400 7.822 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409328783 1072389980 /nfs/dbraw/zinc/38/99/80/1072389980.db2.gz ATEATDLXWORKJF-RZNTYIFUSA-N 0 0 554.112 6.586 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1Cl ZINC000409328824 1072390380 /nfs/dbraw/zinc/39/03/80/1072390380.db2.gz BFLXNTGJLNUEFJ-FSJBWODESA-N 0 0 543.022 6.250 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409328427 1072391709 /nfs/dbraw/zinc/39/17/09/1072391709.db2.gz VAUNESSWWXECTI-OEAKJJBVSA-N 0 0 526.477 6.751 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328447 1072391817 /nfs/dbraw/zinc/39/18/17/1072391817.db2.gz VNICUTBZSAUSQZ-UKWGHVSLSA-N 0 0 571.385 8.119 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409328483 1072392214 /nfs/dbraw/zinc/39/22/14/1072392214.db2.gz WBDZDVRIZXPMQF-YVNNLAQVSA-N 0 0 687.364 7.890 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409328543 1072392800 /nfs/dbraw/zinc/39/28/00/1072392800.db2.gz XHWGIAFTHZPOQW-LSCVHKIXSA-N 0 0 556.855 7.173 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409328548 1072393284 /nfs/dbraw/zinc/39/32/84/1072393284.db2.gz XJXAAPAMYGUPPI-QRVIBDJDSA-N 0 0 566.477 6.587 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328316 1072393741 /nfs/dbraw/zinc/39/37/41/1072393741.db2.gz RXXWRDQXHVKMRA-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409328143 1072394027 /nfs/dbraw/zinc/39/40/27/1072394027.db2.gz PKUMXSJOBODRQJ-WYMPLXKRSA-N 0 0 580.942 8.039 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409328132 1072394187 /nfs/dbraw/zinc/39/41/87/1072394187.db2.gz PJAKLHGWUYBWAE-JAIQZWGSSA-N 0 0 547.492 6.720 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409328405 1072394197 /nfs/dbraw/zinc/39/41/97/1072394197.db2.gz UNDHLZLKHIZJEA-WGARJPEWSA-N 0 0 645.427 9.293 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409328185 1072394680 /nfs/dbraw/zinc/39/46/80/1072394680.db2.gz PUNLTOPXOTZPAU-CVKSISIWSA-N 0 0 635.724 5.013 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1 ZINC000409328243 1072395045 /nfs/dbraw/zinc/39/50/45/1072395045.db2.gz QMGKBJHASWBJBI-UCQKPKSFSA-N 0 0 515.578 7.089 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409327928 1072397453 /nfs/dbraw/zinc/39/74/53/1072397453.db2.gz NRAKOFLJWRVWMX-CFRMEGHHSA-N 0 0 617.974 7.151 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409327814 1072399168 /nfs/dbraw/zinc/39/91/68/1072399168.db2.gz NLXNNYZSODABDU-IDUWFGFVSA-N 0 0 528.833 5.069 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409327808 1072399251 /nfs/dbraw/zinc/39/92/51/1072399251.db2.gz NHTLTICCGARSCL-NVMNQCDNSA-N 0 0 532.962 5.774 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S)c1ccc(Cl)cc1 ZINC000409327579 1072399754 /nfs/dbraw/zinc/39/97/54/1072399754.db2.gz KYHRSNCUBBXAPA-VCHYOVAHSA-N 0 0 520.375 5.708 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=O)cc1 ZINC000409108943 1072404060 /nfs/dbraw/zinc/40/40/60/1072404060.db2.gz ZQRDIGMDHHRVBC-OYKKKHCWSA-N 0 0 505.596 5.176 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OCC ZINC000409108588 1072405831 /nfs/dbraw/zinc/40/58/31/1072405831.db2.gz VKBCHBYVYLOUQF-OEAKJJBVSA-N 0 0 648.519 6.886 40 10 KKCBRN Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCC[C@@H]5C)cc4N4CCCC[C@@H]4C)c(=O)n3c2cc1C ZINC000409336844 1072408081 /nfs/dbraw/zinc/40/80/81/1072408081.db2.gz QMQMLZYBHSOUEP-XTWGHZCASA-N 0 0 545.709 5.740 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1Cl ZINC000409337319 1072408586 /nfs/dbraw/zinc/40/85/86/1072408586.db2.gz TZVIPLWWBXUZKC-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409108152 1072409009 /nfs/dbraw/zinc/40/90/09/1072409009.db2.gz VHJBYUHSRJHITE-FMFFXOCNSA-N 0 0 634.754 8.615 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409347244 1072410113 /nfs/dbraw/zinc/41/01/13/1072410113.db2.gz NGFJUMNMNAMAQF-ZZYOEZNTSA-N 0 0 590.153 7.615 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409347242 1072410178 /nfs/dbraw/zinc/41/01/78/1072410178.db2.gz NGFJUMNMNAMAQF-XETRRMDNSA-N 0 0 590.153 7.615 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409346993 1072410801 /nfs/dbraw/zinc/41/08/01/1072410801.db2.gz LWQUHNKQJYPRTN-LPYMAVHISA-N 0 0 526.617 5.072 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000409346945 1072413007 /nfs/dbraw/zinc/41/30/07/1072413007.db2.gz OWGNNCYGUDXKOL-DEDYPNTBSA-N 0 0 506.487 6.659 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCC ZINC000409107418 1072414251 /nfs/dbraw/zinc/41/42/51/1072414251.db2.gz RTJFNEUECKFUST-OEAKJJBVSA-N 0 0 601.519 7.044 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C2=O)cc1 ZINC000409107435 1072414316 /nfs/dbraw/zinc/41/43/16/1072414316.db2.gz PSWPQUPBNPNKIV-UXHLAJHPSA-N 0 0 616.139 7.400 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409346569 1072414502 /nfs/dbraw/zinc/41/45/02/1072414502.db2.gz NPFJGVVCJZVABF-UUYOSTAYSA-N 0 0 537.575 6.327 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409346604 1072414516 /nfs/dbraw/zinc/41/45/16/1072414516.db2.gz NGAWAUKLTGVZPG-XYGWBWBKSA-N 0 0 532.484 7.587 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc(C)c(C)c4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409123540 1072415306 /nfs/dbraw/zinc/41/53/06/1072415306.db2.gz GZUJFTUZCAVDSE-MBTHVWNTSA-N 0 0 607.595 7.510 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409346485 1072415997 /nfs/dbraw/zinc/41/59/97/1072415997.db2.gz KZOWSQMEJBIQME-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409346126 1072417467 /nfs/dbraw/zinc/41/74/67/1072417467.db2.gz NJIAGVFFQTVVDO-KSEXSDGBSA-N 0 0 584.904 7.420 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409346113 1072417475 /nfs/dbraw/zinc/41/74/75/1072417475.db2.gz NHXXXCADGLJTHR-SRZZPIQSSA-N 0 0 572.418 6.250 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346194 1072418042 /nfs/dbraw/zinc/41/80/42/1072418042.db2.gz MXKOJEIANNQPMO-JJFYIABZSA-N 0 0 591.892 7.004 40 10 KKCBRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409346204 1072418558 /nfs/dbraw/zinc/41/85/58/1072418558.db2.gz MSEKORMDULRAAM-NVQSTNCTSA-N 0 0 514.655 7.147 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409345962 1072418637 /nfs/dbraw/zinc/41/86/37/1072418637.db2.gz LYSOBLZEXYKYJB-LFVJCYFKSA-N 0 0 520.632 5.517 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409345975 1072419086 /nfs/dbraw/zinc/41/90/86/1072419086.db2.gz MAIUFRHGOLSDBS-BUVRLJJBSA-N 0 0 522.623 5.956 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409346066 1072419751 /nfs/dbraw/zinc/41/97/51/1072419751.db2.gz MYMLZCGLLJPQHQ-WKIKZPBSSA-N 0 0 559.732 6.586 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409345793 1072419782 /nfs/dbraw/zinc/41/97/82/1072419782.db2.gz MAIIKTDTEBMHBO-MTJSOVHGSA-N 0 0 516.522 6.598 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409345822 1072420195 /nfs/dbraw/zinc/42/01/95/1072420195.db2.gz MGKLJQSVXFRWJK-JJFYIABZSA-N 0 0 625.791 7.858 40 10 KKCBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409345935 1072421196 /nfs/dbraw/zinc/42/11/96/1072421196.db2.gz MEGZJXJADUQWGW-BKUYFWCQSA-N 0 0 518.885 7.450 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409345509 1072422664 /nfs/dbraw/zinc/42/26/64/1072422664.db2.gz JAEURGFYEZFDOZ-NDENLUEZSA-N 0 0 514.422 5.560 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409121985 1072423455 /nfs/dbraw/zinc/42/34/55/1072423455.db2.gz ZOJQCKRAIMNCMN-LQKURTRISA-N 0 0 663.590 8.142 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409345364 1072423652 /nfs/dbraw/zinc/42/36/52/1072423652.db2.gz LNHNKFOGAOUAQQ-FSJBWODESA-N 0 0 580.942 8.039 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(C)c1 ZINC000409345247 1072425257 /nfs/dbraw/zinc/42/52/57/1072425257.db2.gz KWTLFZJXAZVTJT-QRVIBDJDSA-N 0 0 544.923 7.704 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409345211 1072425264 /nfs/dbraw/zinc/42/52/64/1072425264.db2.gz KNLNEVOXDDAPRI-BOPFTXTBSA-N 0 0 590.302 6.257 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409345215 1072425271 /nfs/dbraw/zinc/42/52/71/1072425271.db2.gz KNMFJYSIUKYCSY-BKUYFWCQSA-N 0 0 546.895 7.096 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409345310 1072426393 /nfs/dbraw/zinc/42/63/93/1072426393.db2.gz LACRYQLYGKHXKY-ROTLSHHCSA-N 0 0 631.563 7.171 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409344830 1072428893 /nfs/dbraw/zinc/42/88/93/1072428893.db2.gz HMSXOIRASFLDJD-ZBKNUEDVSA-N 0 0 675.207 8.411 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)c1 ZINC000409344865 1072428946 /nfs/dbraw/zinc/42/89/46/1072428946.db2.gz HUHZMMUNZYWWDR-HYARGMPZSA-N 0 0 539.476 6.181 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409344905 1072429523 /nfs/dbraw/zinc/42/95/23/1072429523.db2.gz IAMNDLQOCLBHEU-PKAZHMFMSA-N 0 0 532.086 7.877 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409344755 1072431062 /nfs/dbraw/zinc/43/10/62/1072431062.db2.gz GVVFDXCSNAIXEH-WOJGMQOQSA-N 0 0 522.442 5.114 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1Cl ZINC000409344753 1072431119 /nfs/dbraw/zinc/43/11/19/1072431119.db2.gz IGWBYGAGXLQJGR-AFUMVMLFSA-N 0 0 553.105 6.895 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409344523 1072431177 /nfs/dbraw/zinc/43/11/77/1072431177.db2.gz GWZJPJDLIFWYBA-SSDVNMTOSA-N 0 0 578.615 7.542 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409344400 1072432919 /nfs/dbraw/zinc/43/29/19/1072432919.db2.gz JDBCQSKAYGMBRP-FSJBWODESA-N 0 0 516.471 7.295 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409344298 1072434572 /nfs/dbraw/zinc/43/45/72/1072434572.db2.gz ILCYSDBHJWUYAZ-HAHDFKILSA-N 0 0 587.504 6.983 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 ZINC000409344166 1072435561 /nfs/dbraw/zinc/43/55/61/1072435561.db2.gz FYPBKOAZFHUBEW-MTJSOVHGSA-N 0 0 516.522 6.807 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409343842 1072437930 /nfs/dbraw/zinc/43/79/30/1072437930.db2.gz DPUDDWXTZUNBQU-NHDPSOOVSA-N 0 0 536.889 7.640 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409343661 1072439126 /nfs/dbraw/zinc/43/91/26/1072439126.db2.gz FOQUWRTWIMXDOE-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409343503 1072440080 /nfs/dbraw/zinc/44/00/80/1072440080.db2.gz HWCDXKAWXIZSRA-ZDLGFXPLSA-N 0 0 511.249 7.422 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409343525 1072440111 /nfs/dbraw/zinc/44/01/11/1072440111.db2.gz HEVVPNUTAMHILB-NHDPSOOVSA-N 0 0 625.791 7.858 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409343029 1072443173 /nfs/dbraw/zinc/44/31/73/1072443173.db2.gz DFLRDAICVFMMPZ-DHDCSXOGSA-N 0 0 599.297 5.828 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409343130 1072444276 /nfs/dbraw/zinc/44/42/76/1072444276.db2.gz GCFNTPVIDCNWAN-AFUMVMLFSA-N 0 0 586.657 7.261 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409342887 1072444874 /nfs/dbraw/zinc/44/48/74/1072444874.db2.gz FDZLFVUPNFUJMF-BKUYFWCQSA-N 0 0 599.943 7.066 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1Cl ZINC000409342788 1072446558 /nfs/dbraw/zinc/44/65/58/1072446558.db2.gz CLYWYQPVUZODBK-JAIQZWGSSA-N 0 0 529.983 5.859 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409342627 1072447604 /nfs/dbraw/zinc/44/76/04/1072447604.db2.gz FWCNZTSBXUOOCH-FSJBWODESA-N 0 0 516.471 7.295 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)c1 ZINC000409342442 1072448034 /nfs/dbraw/zinc/44/80/34/1072448034.db2.gz FAVWWEMNDDATQL-WSDLNYQXSA-N 0 0 502.057 7.186 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409342695 1072448074 /nfs/dbraw/zinc/44/80/74/1072448074.db2.gz CGZVXVYEKJFIIO-QFEZKATASA-N 0 0 566.929 8.241 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1I ZINC000409342462 1072448639 /nfs/dbraw/zinc/44/86/39/1072448639.db2.gz FEQISJLKTXDYCF-OVCLIPMQSA-N 0 0 521.323 5.724 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409126995 1072448793 /nfs/dbraw/zinc/44/87/93/1072448793.db2.gz OUJJRQKUBOHNCT-XKZIYDEJSA-N 0 0 513.402 5.981 40 10 KKCBRN COc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3ccccc32)cc1 ZINC000409127063 1072449186 /nfs/dbraw/zinc/44/91/86/1072449186.db2.gz QCAWMHARHQXHHB-MYYYXRDXSA-N 0 0 501.633 5.525 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409342344 1072449815 /nfs/dbraw/zinc/44/98/15/1072449815.db2.gz DKJRWCWIIFHJRO-AWQFTUOYSA-N 0 0 622.862 7.126 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000409342316 1072449854 /nfs/dbraw/zinc/44/98/54/1072449854.db2.gz BMYULLPTMHUHMM-CIAFOILYSA-N 0 0 509.521 5.710 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)cc1 ZINC000409342222 1072451021 /nfs/dbraw/zinc/45/10/21/1072451021.db2.gz ATWRYLXJSMQZAJ-WYMPLXKRSA-N 0 0 509.483 7.711 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000409126538 1072451513 /nfs/dbraw/zinc/45/15/13/1072451513.db2.gz CEDBYAPKHJQOTD-UCQKPKSFSA-N 0 0 501.633 5.519 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC1=S ZINC000409126612 1072451943 /nfs/dbraw/zinc/45/19/43/1072451943.db2.gz LOXXKOFOZWBGGV-NKVSQWTQSA-N 0 0 564.368 7.072 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1 ZINC000409341961 1072454504 /nfs/dbraw/zinc/45/45/04/1072454504.db2.gz DAWOYRGYZPJEAT-NHDPSOOVSA-N 0 0 611.417 7.583 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409341971 1072454557 /nfs/dbraw/zinc/45/45/57/1072454557.db2.gz DCGKZQGBWPMEAB-JMIUGGIZSA-N 0 0 582.328 7.144 40 10 KKCBRN Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409341807 1072454929 /nfs/dbraw/zinc/45/49/29/1072454929.db2.gz FSYJWGBWZGZFIT-NTMZXPBYSA-N 0 0 513.627 5.761 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000409341528 1072458063 /nfs/dbraw/zinc/45/80/63/1072458063.db2.gz BNCIBBWYNNLLFV-NVNXTCNLSA-N 0 0 517.797 5.368 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341270 1072458659 /nfs/dbraw/zinc/45/86/59/1072458659.db2.gz AUCHHTOLMXZSLI-SSDVNMTOSA-N 0 0 560.606 5.224 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409341301 1072458737 /nfs/dbraw/zinc/45/87/37/1072458737.db2.gz AYKNIXNHMSHOLF-CCVNUDIWSA-N 0 0 589.182 7.521 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1 ZINC000409341359 1072459013 /nfs/dbraw/zinc/45/90/13/1072459013.db2.gz BFRZTDVVUTVHDR-WGOQTCKBSA-N 0 0 561.084 6.627 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409341343 1072459034 /nfs/dbraw/zinc/45/90/34/1072459034.db2.gz AANBFMWQDHGYNK-JAIQZWGSSA-N 0 0 689.765 7.534 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)c(C)c1 ZINC000409341328 1072459069 /nfs/dbraw/zinc/45/90/69/1072459069.db2.gz BGEZBUNSFORACJ-QQXSKIMKSA-N 0 0 516.688 6.850 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409341345 1072459104 /nfs/dbraw/zinc/45/91/04/1072459104.db2.gz ACCXCKNNARVBSU-UUYOSTAYSA-N 0 0 625.912 7.467 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409125341 1072459538 /nfs/dbraw/zinc/45/95/38/1072459538.db2.gz DXJVEVDMPSJUNE-HAHDFKILSA-N 0 0 509.469 6.752 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409341390 1072459909 /nfs/dbraw/zinc/45/99/09/1072459909.db2.gz BOKGVRPXVXXAIS-SRZZPIQSSA-N 0 0 536.889 7.640 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)SC2=S)c1 ZINC000409341224 1072460980 /nfs/dbraw/zinc/46/09/80/1072460980.db2.gz AIBPCHMGDCWTMU-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)SC2=S)cc1Cl ZINC000409341251 1072460995 /nfs/dbraw/zinc/46/09/95/1072460995.db2.gz AOILBBNRNHHSRX-ZMOGYAJESA-N 0 0 555.077 6.089 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409340546 1072464765 /nfs/dbraw/zinc/46/47/65/1072464765.db2.gz YWYLDOHZRKTHCX-PKAZHMFMSA-N 0 0 540.666 6.580 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409340405 1072465812 /nfs/dbraw/zinc/46/58/12/1072465812.db2.gz WOILQVMSDHJURN-OPVMPGTRSA-N 0 0 626.941 6.830 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409340462 1072466334 /nfs/dbraw/zinc/46/63/34/1072466334.db2.gz XPEAHGWSORQVDP-ZMOGYAJESA-N 0 0 589.522 6.526 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409340437 1072466343 /nfs/dbraw/zinc/46/63/43/1072466343.db2.gz XCQAYVZVEKIRKM-LSFURLLWSA-N 0 0 516.427 6.707 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409340448 1072466370 /nfs/dbraw/zinc/46/63/70/1072466370.db2.gz XLAKQXFCSGPVGG-LSHDLFTRSA-N 0 0 560.878 6.816 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409340264 1072467279 /nfs/dbraw/zinc/46/72/79/1072467279.db2.gz TULWUIKBZPVABP-CFRMEGHHSA-N 0 0 549.630 5.644 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409340308 1072468050 /nfs/dbraw/zinc/46/80/50/1072468050.db2.gz UUGOUBHHWQQPEV-FBHDLOMBSA-N 0 0 644.237 8.812 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NCc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409124025 1072467920 /nfs/dbraw/zinc/46/79/20/1072467920.db2.gz GLJJHVNMIHMHHF-YSMPRRRNSA-N 0 0 527.671 5.368 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409340337 1072468102 /nfs/dbraw/zinc/46/81/02/1072468102.db2.gz VLWQZMPTHMLUFF-ZVHZXABRSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409340387 1072468547 /nfs/dbraw/zinc/46/85/47/1072468547.db2.gz WFKQPWTWKKQXJC-YBFXNURJSA-N 0 0 583.469 5.264 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1 ZINC000409340366 1072468611 /nfs/dbraw/zinc/46/86/11/1072468611.db2.gz VVLCQUCEQCBPAS-MXAYSNPKSA-N 0 0 505.617 6.107 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409340193 1072468893 /nfs/dbraw/zinc/46/88/93/1072468893.db2.gz RZMRRASVZBAHLK-AWQFTUOYSA-N 0 0 768.661 8.297 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409340201 1072469153 /nfs/dbraw/zinc/46/91/53/1072469153.db2.gz SDJWABBATOQOGC-MFKUBSTISA-N 0 0 505.064 7.066 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409340208 1072469658 /nfs/dbraw/zinc/46/96/58/1072469658.db2.gz SEUPPMMURONTQB-IWIPYMOSSA-N 0 0 523.079 6.887 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409340060 1072470651 /nfs/dbraw/zinc/47/06/51/1072470651.db2.gz PRPADBOTAHSWIK-FMCGGJTJSA-N 0 0 570.048 6.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409340038 1072470694 /nfs/dbraw/zinc/47/06/94/1072470694.db2.gz PDNSBRUVDWJNJI-HMAPJEAMSA-N 0 0 560.922 7.486 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409340044 1072470722 /nfs/dbraw/zinc/47/07/22/1072470722.db2.gz PIPWIXHIWQLUGS-CIAFOILYSA-N 0 0 559.532 6.559 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409339864 1072471722 /nfs/dbraw/zinc/47/17/22/1072471722.db2.gz LZEIBKGMJFWPBY-LPYMAVHISA-N 0 0 593.895 6.938 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409339743 1072473541 /nfs/dbraw/zinc/47/35/41/1072473541.db2.gz XPFWFTJATTXUHH-JJFYIABZSA-N 0 0 629.812 8.793 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409339572 1072474654 /nfs/dbraw/zinc/47/46/54/1072474654.db2.gz WJPGKGSTXPHZAU-ZMOGYAJESA-N 0 0 557.049 6.640 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409136903 1072474742 /nfs/dbraw/zinc/47/47/42/1072474742.db2.gz YXIUSTULGMPWOL-YVNNLAQVSA-N 0 0 527.440 6.586 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409339408 1072475800 /nfs/dbraw/zinc/47/58/00/1072475800.db2.gz VBSAMSSBTMQWIR-XKZIYDEJSA-N 0 0 595.367 8.139 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409339241 1072477148 /nfs/dbraw/zinc/47/71/48/1072477148.db2.gz GAXMEOWMDJFYBN-XYGWBWBKSA-N 0 0 519.648 6.426 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339091 1072478202 /nfs/dbraw/zinc/47/82/02/1072478202.db2.gz DWJHRAMPGBFIND-UFFVCSGVSA-N 0 0 596.311 7.649 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1 ZINC000409339128 1072478638 /nfs/dbraw/zinc/47/86/38/1072478638.db2.gz SAQUDBUXUYHAIC-WSDLNYQXSA-N 0 0 624.460 7.640 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409338954 1072479159 /nfs/dbraw/zinc/47/91/59/1072479159.db2.gz RATUHDYIUYNUPI-FOKLQQMPSA-N 0 0 548.538 7.709 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409338987 1072479743 /nfs/dbraw/zinc/47/97/43/1072479743.db2.gz CWWRYCLKFXNSRN-VCHYOVAHSA-N 0 0 601.509 5.369 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338981 1072479788 /nfs/dbraw/zinc/47/97/88/1072479788.db2.gz CUXMIFCIVJBAST-LPYMAVHISA-N 0 0 685.392 7.122 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409339045 1072480255 /nfs/dbraw/zinc/48/02/55/1072480255.db2.gz RGXHAEMZGABNBF-SRZZPIQSSA-N 0 0 536.889 7.640 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409339067 1072480843 /nfs/dbraw/zinc/48/08/43/1072480843.db2.gz RMNDDNUVCLGUBP-JAIQZWGSSA-N 0 0 723.317 7.899 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)cc2OC)cc1 ZINC000409338855 1072481354 /nfs/dbraw/zinc/48/13/54/1072481354.db2.gz PNBYRKFUDSKXFK-IWIPYMOSSA-N 0 0 521.664 5.231 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409338841 1072481381 /nfs/dbraw/zinc/48/13/81/1072481381.db2.gz PHFDJFBQHYPQLW-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409338894 1072481902 /nfs/dbraw/zinc/48/19/02/1072481902.db2.gz QICZUQCEXCNMRO-FMCGGJTJSA-N 0 0 534.461 7.516 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409338513 1072483642 /nfs/dbraw/zinc/48/36/42/1072483642.db2.gz LENHNUKNBTZIBP-ZVHZXABRSA-N 0 0 528.120 7.445 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409338505 1072483711 /nfs/dbraw/zinc/48/37/11/1072483711.db2.gz LAXKRGLWJNIMLV-HYARGMPZSA-N 0 0 556.507 5.904 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338374 1072484824 /nfs/dbraw/zinc/48/48/24/1072484824.db2.gz ITPDGZIVLNZFBJ-FSJBWODESA-N 0 0 605.919 7.394 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409338393 1072485614 /nfs/dbraw/zinc/48/56/14/1072485614.db2.gz JDMINENSJCXGIB-BKUYFWCQSA-N 0 0 536.488 6.710 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338408 1072485655 /nfs/dbraw/zinc/48/56/55/1072485655.db2.gz JLLJSFMKMDDVEB-HMAPJEAMSA-N 0 0 613.970 7.456 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409338094 1072488198 /nfs/dbraw/zinc/48/81/98/1072488198.db2.gz CYQKILXPUCRYQI-UUYOSTAYSA-N 0 0 562.547 6.829 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409338122 1072488243 /nfs/dbraw/zinc/48/82/43/1072488243.db2.gz DJZNVVKEXNILIQ-OYKKKHCWSA-N 0 0 536.053 6.337 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409338095 1072488294 /nfs/dbraw/zinc/48/82/94/1072488294.db2.gz CYSMXOSZNIQQEZ-PKAZHMFMSA-N 0 0 542.638 7.132 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338333 1072488333 /nfs/dbraw/zinc/48/83/33/1072488333.db2.gz HZJFHLGHXJGDBS-QRVIBDJDSA-N 0 0 537.575 6.408 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)c1 ZINC000409338197 1072488806 /nfs/dbraw/zinc/48/88/06/1072488806.db2.gz FPEOQGPKUMDUOG-UUYOSTAYSA-N 0 0 546.508 7.295 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409338193 1072488881 /nfs/dbraw/zinc/48/88/81/1072488881.db2.gz FNVQLRRYYONBGQ-ZDLGFXPLSA-N 0 0 532.962 5.774 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409337964 1072489324 /nfs/dbraw/zinc/48/93/24/1072489324.db2.gz AIPDLUBDNASQJG-HYARGMPZSA-N 0 0 527.023 6.632 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409338046 1072490395 /nfs/dbraw/zinc/49/03/95/1072490395.db2.gz CACPDWYXEHTZDB-IWIPYMOSSA-N 0 0 563.498 6.991 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)NC2=S)cc1 ZINC000409134780 1072490467 /nfs/dbraw/zinc/49/04/67/1072490467.db2.gz PXJHCPNIBKPDGB-VEILYXNESA-N 0 0 570.696 6.814 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4F)c4ccccc34)SC2=S)cc1 ZINC000409133652 1072496649 /nfs/dbraw/zinc/49/66/49/1072496649.db2.gz NRWZLOQWJNFJCG-QQXSKIMKSA-N 0 0 518.635 6.269 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409133359 1072500787 /nfs/dbraw/zinc/50/07/87/1072500787.db2.gz SQYBKKRBOLQWHX-JLPGSUDCSA-N 0 0 509.469 6.834 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c21 ZINC000409132376 1072504270 /nfs/dbraw/zinc/50/42/70/1072504270.db2.gz XNWDOAHITYOSMG-IOOSODASSA-N 0 0 525.740 5.280 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409131573 1072509487 /nfs/dbraw/zinc/50/94/87/1072509487.db2.gz WBJRLQCHDLGZTF-RWPZCVJISA-N 0 0 559.732 5.457 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409131024 1072511455 /nfs/dbraw/zinc/51/14/55/1072511455.db2.gz JHOPAIDCSUSIOM-MTJSOVHGSA-N 0 0 592.298 6.744 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)S1)c1ccccc1 ZINC000409130304 1072514856 /nfs/dbraw/zinc/51/48/56/1072514856.db2.gz HDYXRPIDZAHZMI-XYGWBWBKSA-N 0 0 543.442 6.582 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409129924 1072517531 /nfs/dbraw/zinc/51/75/31/1072517531.db2.gz MSPINCBIXBCUHI-YSMPRRRNSA-N 0 0 545.458 6.929 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409129350 1072520470 /nfs/dbraw/zinc/52/04/70/1072520470.db2.gz FVHZNMNRPZASJY-QRVIBDJDSA-N 0 0 554.535 6.068 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409129222 1072521289 /nfs/dbraw/zinc/52/12/89/1072521289.db2.gz RHCBSDDONNHZHA-DICXZTSXSA-N 0 0 560.632 5.067 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409352737 1072526471 /nfs/dbraw/zinc/52/64/71/1072526471.db2.gz YKECPYCWMWNBKE-LPYMAVHISA-N 0 0 607.922 7.246 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409352114 1072529473 /nfs/dbraw/zinc/52/94/73/1072529473.db2.gz WHVFSLXUQHRFIF-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409352150 1072529840 /nfs/dbraw/zinc/52/98/40/1072529840.db2.gz WNKGRTYIBLVIJG-CAOOACKPSA-N 0 0 668.756 6.063 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409351530 1072534065 /nfs/dbraw/zinc/53/40/65/1072534065.db2.gz UUGSDONFUXIFQG-PXNMLYILSA-N 0 0 533.347 6.390 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409351580 1072534631 /nfs/dbraw/zinc/53/46/31/1072534631.db2.gz VDURKBCFNRPKTK-FOKLQQMPSA-N 0 0 638.392 7.578 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409144439 1072535376 /nfs/dbraw/zinc/53/53/76/1072535376.db2.gz YMUCDEDHDRUGFP-SRZZPIQSSA-N 0 0 570.992 5.803 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409351456 1072536242 /nfs/dbraw/zinc/53/62/42/1072536242.db2.gz ULFMANJAYIGZEE-BUVRLJJBSA-N 0 0 614.543 6.807 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)o1 ZINC000409351201 1072536624 /nfs/dbraw/zinc/53/66/24/1072536624.db2.gz ZZQOCSIRBGVSOH-VXLYETTFSA-N 0 0 551.827 6.685 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409351325 1072537537 /nfs/dbraw/zinc/53/75/37/1072537537.db2.gz TWVRDBSFBKGIAA-UUYOSTAYSA-N 0 0 675.919 8.347 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409351320 1072537718 /nfs/dbraw/zinc/53/77/18/1072537718.db2.gz TYVMRQNZNGRHKN-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)SC1=S ZINC000409351122 1072538524 /nfs/dbraw/zinc/53/85/24/1072538524.db2.gz ZPRUJERMPIWXJX-ODLFYWEKSA-N 0 0 561.350 7.345 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409351186 1072539132 /nfs/dbraw/zinc/53/91/32/1072539132.db2.gz ZBALTEDBIIEDSO-UCQKPKSFSA-N 0 0 515.572 6.350 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409350889 1072540914 /nfs/dbraw/zinc/54/09/14/1072540914.db2.gz SQNKRRZGNOYECW-UUYOSTAYSA-N 0 0 523.548 6.018 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409350644 1072541269 /nfs/dbraw/zinc/54/12/69/1072541269.db2.gz YRQJRSLPDVGYFS-ZVBGSRNCSA-N 0 0 639.774 7.579 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000409350468 1072542255 /nfs/dbraw/zinc/54/22/55/1072542255.db2.gz YJFKCHXTKAEKCH-MFKUBSTISA-N 0 0 534.659 5.744 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409350571 1072543076 /nfs/dbraw/zinc/54/30/76/1072543076.db2.gz YBBJXHISAHZYCQ-YSURURNPSA-N 0 0 574.551 7.530 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409350448 1072543962 /nfs/dbraw/zinc/54/39/62/1072543962.db2.gz YFMAWGGPAOZZSQ-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409142909 1072544545 /nfs/dbraw/zinc/54/45/45/1072544545.db2.gz FKBFGUVEAMNFKI-BRJLIKDPSA-N 0 0 709.071 7.371 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)ccc1Cl ZINC000409142932 1072544576 /nfs/dbraw/zinc/54/45/76/1072544576.db2.gz FUEWTQYEOBNKRC-LSHDLFTRSA-N 0 0 557.093 5.835 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409350265 1072544872 /nfs/dbraw/zinc/54/48/72/1072544872.db2.gz XFYZMRBGWSTLBU-SRZZPIQSSA-N 0 0 672.791 7.701 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409350130 1072545780 /nfs/dbraw/zinc/54/57/80/1072545780.db2.gz XNMRFQZOWWGQJX-OEAKJJBVSA-N 0 0 569.502 6.189 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409349892 1072546161 /nfs/dbraw/zinc/54/61/61/1072546161.db2.gz WKJOOAPUTFRUGL-XKZIYDEJSA-N 0 0 510.687 7.182 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409349809 1072547243 /nfs/dbraw/zinc/54/72/43/1072547243.db2.gz WEMDGJHFECAGGC-RWPZCVJISA-N 0 0 541.650 6.952 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409142514 1072547806 /nfs/dbraw/zinc/54/78/06/1072547806.db2.gz AMVONIJHFKZTIB-OKCVXOCRSA-N 0 0 598.790 7.266 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)SC1=S ZINC000409349676 1072548421 /nfs/dbraw/zinc/54/84/21/1072548421.db2.gz VTXCLZCOPSMXDL-ZVHZXABRSA-N 0 0 583.529 6.498 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c1 ZINC000409349674 1072548424 /nfs/dbraw/zinc/54/84/24/1072548424.db2.gz VWXBVZGRYREQRY-UUYOSTAYSA-N 0 0 546.508 7.295 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409349482 1072549246 /nfs/dbraw/zinc/54/92/46/1072549246.db2.gz PQAUCYLRXZWITB-ZMOGYAJESA-N 0 0 527.473 7.850 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409349471 1072549288 /nfs/dbraw/zinc/54/92/88/1072549288.db2.gz POTJWXFJUDMIAV-VUTHCHCSSA-N 0 0 540.710 7.289 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409349501 1072549297 /nfs/dbraw/zinc/54/92/97/1072549297.db2.gz PUHFZKIYVQVKEX-JLPGSUDCSA-N 0 0 510.681 5.945 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409349569 1072549730 /nfs/dbraw/zinc/54/97/30/1072549730.db2.gz QVRWVBQKURDVOZ-YVNNLAQVSA-N 0 0 676.812 8.635 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409349432 1072550727 /nfs/dbraw/zinc/55/07/27/1072550727.db2.gz PVGJLOASGZJXED-ZMOGYAJESA-N 0 0 512.052 6.650 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409349228 1072551681 /nfs/dbraw/zinc/55/16/81/1072551681.db2.gz UYNMIBFIOKLXAT-OEAKJJBVSA-N 0 0 636.964 7.004 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409141806 1072551894 /nfs/dbraw/zinc/55/18/94/1072551894.db2.gz BXCFHUDPGUJGGG-MBTHVWNTSA-N 0 0 554.737 6.868 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409349282 1072552003 /nfs/dbraw/zinc/55/20/03/1072552003.db2.gz VHSASKJJEHUKRT-OEAKJJBVSA-N 0 0 573.477 6.593 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349067 1072552456 /nfs/dbraw/zinc/55/24/56/1072552456.db2.gz UHGCAUSWLNATBU-UUYOSTAYSA-N 0 0 546.548 7.129 40 10 KKCBRN CCN1C(=O)[C@@H](Cc2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)SC1=S ZINC000409141441 1072553125 /nfs/dbraw/zinc/55/31/25/1072553125.db2.gz NXJLSQFXRMJWLF-GOSISDBHSA-N 0 0 500.867 5.481 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409348999 1072554142 /nfs/dbraw/zinc/55/41/42/1072554142.db2.gz UEXMHBGZHXWVKD-WYMPLXKRSA-N 0 0 539.122 6.363 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409348756 1072554348 /nfs/dbraw/zinc/55/43/48/1072554348.db2.gz PHILSRPBOWJDIW-UDWIEESQSA-N 0 0 531.034 5.932 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)N1CCCCCC1 ZINC000409141385 1072554510 /nfs/dbraw/zinc/55/45/10/1072554510.db2.gz JOHRVGKRZVDNBY-BWAHOGKJSA-N 0 0 503.693 5.488 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)NCc1ccco1 ZINC000409141229 1072555010 /nfs/dbraw/zinc/55/50/10/1072555010.db2.gz HWJZLDADHMNHQI-NKVSQWTQSA-N 0 0 556.463 5.308 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409348851 1072555084 /nfs/dbraw/zinc/55/50/84/1072555084.db2.gz SVXZNTBJYXTHQP-FYJGNVAPSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409348484 1072556410 /nfs/dbraw/zinc/55/64/10/1072556410.db2.gz SWOJTSAWVPIMGK-LPYMAVHISA-N 0 0 556.021 5.382 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409348475 1072556506 /nfs/dbraw/zinc/55/65/06/1072556506.db2.gz SVAHWVJQSDGJNU-WYMPLXKRSA-N 0 0 623.421 8.756 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409348547 1072556987 /nfs/dbraw/zinc/55/69/87/1072556987.db2.gz OLDILKKGQURTSP-SSDVNMTOSA-N 0 0 548.538 7.709 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1 ZINC000409348530 1072556993 /nfs/dbraw/zinc/55/69/93/1072556993.db2.gz OEOIBASBVIKVDS-QQXSKIMKSA-N 0 0 502.636 6.942 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409348332 1072557360 /nfs/dbraw/zinc/55/73/60/1072557360.db2.gz SFSNPQFXYZGODG-MTJSOVHGSA-N 0 0 593.895 6.938 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409348383 1072557824 /nfs/dbraw/zinc/55/78/24/1072557824.db2.gz SHEJVVFWQJKTNX-NHDPSOOVSA-N 0 0 591.892 7.004 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409347850 1072560164 /nfs/dbraw/zinc/56/01/64/1072560164.db2.gz NBRWKIKBYPBACS-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(C)C ZINC000409347810 1072561854 /nfs/dbraw/zinc/56/18/54/1072561854.db2.gz MXFLSRLEXHZLNZ-OCKHKDLRSA-N 0 0 512.878 6.552 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000409347571 1072562226 /nfs/dbraw/zinc/56/22/26/1072562226.db2.gz MRGSTVGCAAOSOH-AFUMVMLFSA-N 0 0 560.524 7.776 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409347551 1072562408 /nfs/dbraw/zinc/56/24/08/1072562408.db2.gz QGTVVBFUSWJYGO-MYYYXRDXSA-N 0 0 510.080 7.340 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409347619 1072562988 /nfs/dbraw/zinc/56/29/88/1072562988.db2.gz QOOBVGXOEAXHRB-MSXFZWOLSA-N 0 0 541.550 8.124 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 ZINC000409347467 1072563902 /nfs/dbraw/zinc/56/39/02/1072563902.db2.gz QCWCNKQLEANNCX-OEAKJJBVSA-N 0 0 500.016 6.863 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409347479 1072563942 /nfs/dbraw/zinc/56/39/42/1072563942.db2.gz PZSUUEBUCPAWJF-ZBKNUEDVSA-N 0 0 664.655 9.157 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409347316 1072564256 /nfs/dbraw/zinc/56/42/56/1072564256.db2.gz PMKOHXZZKAATOC-AFUMVMLFSA-N 0 0 597.556 6.806 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409347508 1072564395 /nfs/dbraw/zinc/56/43/95/1072564395.db2.gz MLCZFCAJCRNVTD-MYYYXRDXSA-N 0 0 556.030 8.497 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21 ZINC000409138114 1072572194 /nfs/dbraw/zinc/57/21/94/1072572194.db2.gz YWHDJPWRPFLRSQ-CMBCABCVSA-N 0 0 569.550 5.601 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21 ZINC000409138115 1072572568 /nfs/dbraw/zinc/57/25/68/1072572568.db2.gz YWHDJPWRPFLRSQ-OYPWENPISA-N 0 0 569.550 5.601 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409137684 1072574358 /nfs/dbraw/zinc/57/43/58/1072574358.db2.gz XZIAXWWDRQKINX-IWIPYMOSSA-N 0 0 537.776 6.363 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409147204 1072577584 /nfs/dbraw/zinc/57/75/84/1072577584.db2.gz VNOBXHUTLSKLSJ-QCYAWUEASA-N 0 0 518.708 5.401 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409146840 1072578875 /nfs/dbraw/zinc/57/88/75/1072578875.db2.gz VCHMEEJNPUMSQR-ROTLSHHCSA-N 0 0 613.599 6.486 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409146475 1072581977 /nfs/dbraw/zinc/58/19/77/1072581977.db2.gz SVKYCPNDHVZLJN-FMCGGJTJSA-N 0 0 563.970 7.384 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409145990 1072584139 /nfs/dbraw/zinc/58/41/39/1072584139.db2.gz REAHRLXOHZCLEM-FSJBWODESA-N 0 0 686.864 8.242 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000409146196 1072584175 /nfs/dbraw/zinc/58/41/75/1072584175.db2.gz SAIDMJZZZPKKRA-UQQQWYQISA-N 0 0 517.720 5.706 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409145860 1072585581 /nfs/dbraw/zinc/58/55/81/1072585581.db2.gz QGHXQKKWWUITCT-LPYMAVHISA-N 0 0 603.947 6.545 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409145862 1072585662 /nfs/dbraw/zinc/58/56/62/1072585662.db2.gz RCYBOIWYKRNJSY-UCQKPKSFSA-N 0 0 543.458 6.728 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409145284 1072588718 /nfs/dbraw/zinc/58/87/18/1072588718.db2.gz NIJVLVYBKJDPQG-SSDVNMTOSA-N 0 0 563.915 7.080 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)c(Cl)c1 ZINC000409145028 1072590622 /nfs/dbraw/zinc/59/06/22/1072590622.db2.gz MMTXNATUWLTXLL-LPYMAVHISA-N 0 0 540.022 5.682 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409147364 1072591102 /nfs/dbraw/zinc/59/11/02/1072591102.db2.gz YVLJNOXMKDCNPC-KIBLKLHPSA-N 0 0 603.593 7.030 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409157016 1072592014 /nfs/dbraw/zinc/59/20/14/1072592014.db2.gz TYKKOKKNXYWJTG-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409362407 1072595416 /nfs/dbraw/zinc/59/54/16/1072595416.db2.gz VFXIMCSFBKDMKO-SRMIFNOSSA-N 0 0 534.045 6.106 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156082 1072597103 /nfs/dbraw/zinc/59/71/03/1072597103.db2.gz RIUWYPSNSMGUIF-YWTKSJFSSA-N 0 0 634.612 10.130 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409154778 1072603937 /nfs/dbraw/zinc/60/39/37/1072603937.db2.gz KVKPEVTWIQGKRU-DGUDUIIESA-N 0 0 579.749 9.132 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)N2 ZINC000409154159 1072607827 /nfs/dbraw/zinc/60/78/27/1072607827.db2.gz FYOSJWRVVQVCTJ-MPCDZSKCSA-N 0 0 589.313 7.957 40 10 KKCBRN Cn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1-c1ccc(Br)cc1 ZINC000409360097 1072610929 /nfs/dbraw/zinc/61/09/29/1072610929.db2.gz OZBIJRSGZJBKDP-CYYJNZCTSA-N 0 0 507.417 6.391 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152927 1072614074 /nfs/dbraw/zinc/61/40/74/1072614074.db2.gz KKHUDBKTDDEERL-SRGWNRLKSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152914 1072616445 /nfs/dbraw/zinc/61/64/45/1072616445.db2.gz KKHUDBKTDDEERL-KCYKTTMJSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409152092 1072620469 /nfs/dbraw/zinc/62/04/69/1072620469.db2.gz IWEDOGUMXBMJHJ-WBXFWKJNSA-N 0 0 607.375 9.837 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151724 1072622813 /nfs/dbraw/zinc/62/28/13/1072622813.db2.gz BYWUEKVQMXUUBP-RPPIVITFSA-N 0 0 599.274 9.189 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151718 1072622861 /nfs/dbraw/zinc/62/28/61/1072622861.db2.gz BYWUEKVQMXUUBP-GAKIBJFNSA-N 0 0 599.274 9.189 40 10 KKCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409373594 1072624748 /nfs/dbraw/zinc/62/47/48/1072624748.db2.gz WDONIISFTYMOAI-UDWIEESQSA-N 0 0 518.447 6.483 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409373662 1072624838 /nfs/dbraw/zinc/62/48/38/1072624838.db2.gz XQZAMTBQXMJNFS-FRKPEAEDSA-N 0 0 591.292 5.246 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151065 1072625558 /nfs/dbraw/zinc/62/55/58/1072625558.db2.gz GIUSWTSELBSLJC-JXQFQVJHSA-N 0 0 593.718 8.418 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409151112 1072626180 /nfs/dbraw/zinc/62/61/80/1072626180.db2.gz ADSNGMPPOFRSOM-CIAFOILYSA-N 0 0 500.407 6.076 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409150596 1072628035 /nfs/dbraw/zinc/62/80/35/1072628035.db2.gz CXBYDCURFOVWSO-YWTKSJFSSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409150331 1072629496 /nfs/dbraw/zinc/62/94/96/1072629496.db2.gz BMISHMKXFAJKLD-HHJKRLRDSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409150580 1072629519 /nfs/dbraw/zinc/62/95/19/1072629519.db2.gz CWOQITLGHFJBKB-SRGWNRLKSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409150426 1072629843 /nfs/dbraw/zinc/62/98/43/1072629843.db2.gz CBNCIEHTZMJGGI-GGUMNFRJSA-N 0 0 532.812 7.795 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409150430 1072629915 /nfs/dbraw/zinc/62/99/15/1072629915.db2.gz CBNCIEHTZMJGGI-YTZAWJCFSA-N 0 0 532.812 7.795 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)c(Cl)c1 ZINC000409150042 1072630930 /nfs/dbraw/zinc/63/09/30/1072630930.db2.gz YTXUDNUPOKDTFT-LPYMAVHISA-N 0 0 540.022 5.682 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409375716 1072632285 /nfs/dbraw/zinc/63/22/85/1072632285.db2.gz OIAHQRVIBCVNTB-UHFFFAOYSA-N 0 0 565.557 5.435 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C ZINC000409149966 1072632509 /nfs/dbraw/zinc/63/25/09/1072632509.db2.gz WQECKFOMUYHQNG-YVNNLAQVSA-N 0 0 500.686 5.179 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149420 1072635644 /nfs/dbraw/zinc/63/56/44/1072635644.db2.gz FYCNTBGLYOKXPN-AUEPDCJTSA-N 0 0 603.644 6.855 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)c(Cl)c1 ZINC000409149493 1072636102 /nfs/dbraw/zinc/63/61/02/1072636102.db2.gz HWTKBFGIRHVBBB-XQNSMLJCSA-N 0 0 525.051 5.652 40 10 KKCBRN O=C1[C@@H](Cc2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409149401 1072637158 /nfs/dbraw/zinc/63/71/58/1072637158.db2.gz FGVQQEFCGHZBPD-JOCHJYFZSA-N 0 0 534.447 6.278 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409149257 1072638308 /nfs/dbraw/zinc/63/83/08/1072638308.db2.gz ZVJCITGZICLIRS-CFRMEGHHSA-N 0 0 559.982 7.887 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409149108 1072638792 /nfs/dbraw/zinc/63/87/92/1072638792.db2.gz XMAHMBPEOQIRJV-OYKKKHCWSA-N 0 0 537.866 7.904 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000409373829 1072640457 /nfs/dbraw/zinc/64/04/57/1072640457.db2.gz ZIGXFEKKAZIHHM-KSEXSDGBSA-N 0 0 587.941 7.588 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000409373332 1072642261 /nfs/dbraw/zinc/64/22/61/1072642261.db2.gz URDTUTXTGMJFSF-JMIUGGIZSA-N 0 0 611.941 7.644 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409148211 1072644418 /nfs/dbraw/zinc/64/44/18/1072644418.db2.gz XUYYVHBPHQACIB-ONUIUJJFSA-N 0 0 532.622 5.118 40 10 KKCBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409372094 1072646662 /nfs/dbraw/zinc/64/66/62/1072646662.db2.gz OIIWQXAODDGECQ-BKUYFWCQSA-N 0 0 532.474 6.873 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409371080 1072650753 /nfs/dbraw/zinc/65/07/53/1072650753.db2.gz FILXWYYZKWUMGP-OYKKKHCWSA-N 0 0 567.523 7.243 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409164604 1072657922 /nfs/dbraw/zinc/65/79/22/1072657922.db2.gz KWWFVWYDQNTUOA-UVHMKAGCSA-N 0 0 630.619 7.816 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409369450 1072657958 /nfs/dbraw/zinc/65/79/58/1072657958.db2.gz NUWDZKOUGRLJRX-MTJSOVHGSA-N 0 0 610.522 5.708 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409164588 1072659104 /nfs/dbraw/zinc/65/91/04/1072659104.db2.gz KPLIDCSZNXABSC-KCYKTTMJSA-N 0 0 610.173 8.933 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409368993 1072661928 /nfs/dbraw/zinc/66/19/28/1072661928.db2.gz WPMGBRGYVBHIPP-WSDLNYQXSA-N 0 0 587.510 6.257 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000409368722 1072662600 /nfs/dbraw/zinc/66/26/00/1072662600.db2.gz JSVIEMLUDOQMEX-SRZZPIQSSA-N 0 0 575.455 6.419 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409368680 1072664215 /nfs/dbraw/zinc/66/42/15/1072664215.db2.gz HQJUDYFSBDAQCC-SSDVNMTOSA-N 0 0 605.481 6.427 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163549 1072664871 /nfs/dbraw/zinc/66/48/71/1072664871.db2.gz TYTLYXHSZRNVIG-SWYRRKHMSA-N 0 0 521.411 7.080 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163552 1072664903 /nfs/dbraw/zinc/66/49/03/1072664903.db2.gz TYTLYXHSZRNVIG-YPCDYVTLSA-N 0 0 521.411 7.080 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368140 1072665506 /nfs/dbraw/zinc/66/55/06/1072665506.db2.gz TZSSONAQLYCYPL-FSJBWODESA-N 0 0 619.508 6.817 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409368116 1072667190 /nfs/dbraw/zinc/66/71/90/1072667190.db2.gz RUWSJVBYOMESLA-JJFYIABZSA-N 0 0 671.397 7.811 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409367670 1072669999 /nfs/dbraw/zinc/66/99/99/1072669999.db2.gz DDFRGFSUTZRPOF-KSEXSDGBSA-N 0 0 614.511 6.664 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409162478 1072670143 /nfs/dbraw/zinc/67/01/43/1072670143.db2.gz VQCRIAGTLJNYHT-MYYYXRDXSA-N 0 0 596.130 5.919 40 10 KKCBRN CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409378686 1072674150 /nfs/dbraw/zinc/67/41/50/1072674150.db2.gz RNYSAEURTIPTKI-SFHVURJKSA-N 0 0 521.038 6.274 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409161396 1072676695 /nfs/dbraw/zinc/67/66/95/1072676695.db2.gz UMNKSZVWRYDGTA-RRQZXNHTSA-N 0 0 531.277 8.170 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409161680 1072676706 /nfs/dbraw/zinc/67/67/06/1072676706.db2.gz OUJYYZXMMXZISG-OYKKKHCWSA-N 0 0 539.078 6.091 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409160685 1072680966 /nfs/dbraw/zinc/68/09/66/1072680966.db2.gz HWKADBZJVNUAGG-RGVLZGJSSA-N 0 0 513.984 5.671 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)o1 ZINC000409386065 1072690064 /nfs/dbraw/zinc/69/00/64/1072690064.db2.gz OBXAORSOJGJLAY-JFLMPSFJSA-N 0 0 577.058 6.943 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409158897 1072692428 /nfs/dbraw/zinc/69/24/28/1072692428.db2.gz LXZRJYXEWSUYAB-JXQFQVJHSA-N 0 0 541.829 7.425 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409158686 1072692845 /nfs/dbraw/zinc/69/28/45/1072692845.db2.gz SBINPLWWMWCPLK-VHFRWLAGSA-N 0 0 568.895 7.612 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)ccc1Cl ZINC000409158750 1072693299 /nfs/dbraw/zinc/69/32/99/1072693299.db2.gz YUQWGXPHHOBANR-MFKUBSTISA-N 0 0 566.079 6.379 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)o1 ZINC000409385213 1072693444 /nfs/dbraw/zinc/69/34/44/1072693444.db2.gz IMDYYIHTZUTDCO-AWQFTUOYSA-N 0 0 505.379 6.017 40 10 KKCBRN COc1ccccc1NC(=O)COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409384807 1072696211 /nfs/dbraw/zinc/69/62/11/1072696211.db2.gz FXFCOOCJGWCURO-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409157560 1072698710 /nfs/dbraw/zinc/69/87/10/1072698710.db2.gz MXCGAPCVBNOTPE-GOHWNWGWSA-N 0 0 590.301 8.387 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409383552 1072701775 /nfs/dbraw/zinc/70/17/75/1072701775.db2.gz ZWGMIQFXHZSIJJ-MSXFZWOLSA-N 0 0 540.472 6.022 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)SC1=S ZINC000409383587 1072702414 /nfs/dbraw/zinc/70/24/14/1072702414.db2.gz XOIKLWJRZPCURJ-YVLHZVERSA-N 0 0 560.276 5.854 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166740 1072702899 /nfs/dbraw/zinc/70/28/99/1072702899.db2.gz FSMOQXSXTKPDKV-UAVUOLJFSA-N 0 0 628.163 9.072 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409383187 1072703226 /nfs/dbraw/zinc/70/32/26/1072703226.db2.gz SBBUOODYWPINCU-PKAZHMFMSA-N 0 0 608.558 6.484 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409166272 1072704943 /nfs/dbraw/zinc/70/49/43/1072704943.db2.gz CMNWAFZHQGQGLW-GOHWNWGWSA-N 0 0 545.304 8.478 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409380963 1072716009 /nfs/dbraw/zinc/71/60/09/1072716009.db2.gz CKEAVMCEAZGCSK-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409174847 1072719172 /nfs/dbraw/zinc/71/91/72/1072719172.db2.gz WCJUEWFVIFGPQA-AFUMVMLFSA-N 0 0 527.086 7.310 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409388355 1072738486 /nfs/dbraw/zinc/73/84/86/1072738486.db2.gz UJKPYYHJUAITPU-MSXFZWOLSA-N 0 0 584.923 6.131 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409169014 1072751621 /nfs/dbraw/zinc/75/16/21/1072751621.db2.gz OTTJWFSPPSAYDF-MKGJDZFWSA-N 0 0 607.375 9.837 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C2=O)o1 ZINC000409398031 1072753468 /nfs/dbraw/zinc/75/34/68/1072753468.db2.gz BEHZQJQLGGKGAQ-YSMPRRRNSA-N 0 0 560.006 5.799 40 10 KKCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)ccc1Cl ZINC000409167784 1072758922 /nfs/dbraw/zinc/75/89/22/1072758922.db2.gz JQXCIPGSDGIVIM-WSDLNYQXSA-N 0 0 523.998 5.209 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1Br ZINC000409405899 1072761289 /nfs/dbraw/zinc/76/12/89/1072761289.db2.gz ISQXVFRWWUSKLE-NVMNQCDNSA-N 0 0 684.122 5.865 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409186705 1072761656 /nfs/dbraw/zinc/76/16/56/1072761656.db2.gz GTCFJGGFKILBJS-UHFFFAOYSA-N 0 0 505.574 6.076 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409405409 1072762527 /nfs/dbraw/zinc/76/25/27/1072762527.db2.gz GYYSPSSNJORMBK-BKUYFWCQSA-N 0 0 554.384 5.039 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(F)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186089 1072763137 /nfs/dbraw/zinc/76/31/37/1072763137.db2.gz WLZUNTGFXBSTJW-FMWYSGSYSA-N 0 0 565.670 6.219 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186093 1072763687 /nfs/dbraw/zinc/76/36/87/1072763687.db2.gz WNLBKHXLGQRNSB-FRHTZWARSA-N 0 0 826.813 9.973 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186132 1072764090 /nfs/dbraw/zinc/76/40/90/1072764090.db2.gz XETVGPPFNAPAJS-PXAVNBSXSA-N 0 0 696.917 8.785 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409186149 1072764179 /nfs/dbraw/zinc/76/41/79/1072764179.db2.gz XPOHPJZEKMKUAK-UZWMFBFFSA-N 0 0 645.177 7.208 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186174 1072764485 /nfs/dbraw/zinc/76/44/85/1072764485.db2.gz YBZISLALSGWZBG-LDNIUYJYSA-N 0 0 667.831 7.967 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186025 1072765880 /nfs/dbraw/zinc/76/58/80/1072765880.db2.gz VLKBBSRTBDRWPZ-IDRDTGJUSA-N 0 0 776.753 8.738 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186060 1072766318 /nfs/dbraw/zinc/76/63/18/1072766318.db2.gz WAKYADLMCFXMBC-MABGHIJOSA-N 0 0 711.884 8.366 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185813 1072766849 /nfs/dbraw/zinc/76/68/49/1072766849.db2.gz QNSUFQPKNGYUOF-NPRFERMQSA-N 0 0 668.863 8.104 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185841 1072767165 /nfs/dbraw/zinc/76/71/65/1072767165.db2.gz RELOJDIPBWQPTE-IRKIBWNTSA-N 0 0 868.750 8.570 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OC)c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185875 1072767553 /nfs/dbraw/zinc/76/75/53/1072767553.db2.gz RUOBSCKHCYDVCA-QICITKFESA-N 0 0 701.599 6.759 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185629 1072768016 /nfs/dbraw/zinc/76/80/16/1072768016.db2.gz NOQFADBLVLDHRF-BCECABNSSA-N 0 0 766.705 8.092 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185918 1072768123 /nfs/dbraw/zinc/76/81/23/1072768123.db2.gz SNUVRKZXKHPONX-WQZRLSSLSA-N 0 0 812.786 9.583 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(CC(=O)OCC)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185673 1072768559 /nfs/dbraw/zinc/76/85/59/1072768559.db2.gz OKZXBVLYOHUNOR-AGGDMNMHSA-N 0 0 672.807 6.598 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185702 1072768917 /nfs/dbraw/zinc/76/89/17/1072768917.db2.gz OVMCLPPVHLUJLZ-OJBQBBGCSA-N 0 0 714.682 7.640 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185708 1072768935 /nfs/dbraw/zinc/76/89/35/1072768935.db2.gz OXCVQQMKAGKBLN-YPDGVYQTSA-N 0 0 739.635 7.944 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185759 1072769226 /nfs/dbraw/zinc/76/92/26/1072769226.db2.gz PQIZWNVCCHMHJW-KBMDQARMSA-N 0 0 745.945 9.562 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185746 1072769371 /nfs/dbraw/zinc/76/93/71/1072769371.db2.gz PIVXEHMWIZKQBS-DGWBYFALSA-N 0 0 811.198 9.473 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185573 1072770248 /nfs/dbraw/zinc/77/02/48/1072770248.db2.gz MRXKKQOWYORRSN-DGWBYFALSA-N 0 0 741.866 7.786 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185617 1072770803 /nfs/dbraw/zinc/77/08/03/1072770803.db2.gz NKWDYGXNVDWOET-RRZKXGOHSA-N 0 0 654.836 7.796 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185225 1072771614 /nfs/dbraw/zinc/77/16/14/1072771614.db2.gz KIQVGNBIHMAXRG-YQVITWMMSA-N 0 0 782.760 9.575 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185331 1072772137 /nfs/dbraw/zinc/77/21/37/1072772137.db2.gz KRGIYWHPOKKALT-DKDMBQFYSA-N 0 0 888.622 9.035 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185186 1072773171 /nfs/dbraw/zinc/77/31/71/1072773171.db2.gz KCZBVLZRIZQQDZ-LCPPIYJWSA-N 0 0 752.720 8.974 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184936 1072773528 /nfs/dbraw/zinc/77/35/28/1072773528.db2.gz IPCJLABTEUBAHP-DKDMBQFYSA-N 0 0 844.171 8.925 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184956 1072773611 /nfs/dbraw/zinc/77/36/11/1072773611.db2.gz IRTRYNMZRIEKEN-RYVGNQRDSA-N 0 0 591.733 6.479 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184851 1072774911 /nfs/dbraw/zinc/77/49/11/1072774911.db2.gz IHQPMYMCPVQWBV-FZLKQKSASA-N 0 0 823.753 8.662 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184616 1072774922 /nfs/dbraw/zinc/77/49/22/1072774922.db2.gz HJUNCQBKIYMCBF-RJGCVNEISA-N 0 0 845.643 10.127 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184470 1072775930 /nfs/dbraw/zinc/77/59/30/1072775930.db2.gz GUQUCMUWBITBEG-QUGDOHQQSA-N 0 0 814.145 8.917 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184590 1072776807 /nfs/dbraw/zinc/77/68/07/1072776807.db2.gz YJAVRXVQFWXJKH-SFZACXCXSA-N 0 0 683.830 7.667 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)cc(OC)c2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184604 1072777262 /nfs/dbraw/zinc/77/72/62/1072777262.db2.gz HEDDQWLGRFGQKF-HANJQSTFSA-N 0 0 733.628 6.702 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184170 1072778194 /nfs/dbraw/zinc/77/81/94/1072778194.db2.gz FMYQIBXUDXEFMA-MWXJPDCTSA-N 0 0 719.705 8.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184270 1072778575 /nfs/dbraw/zinc/77/85/75/1072778575.db2.gz VTVUWEUDKKQIEL-ODCPUKCESA-N 0 0 686.628 6.860 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184232 1072778616 /nfs/dbraw/zinc/77/86/16/1072778616.db2.gz FYKNDVWGWXNUMP-DOKVMJHNSA-N 0 0 682.629 8.647 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184056 1072779054 /nfs/dbraw/zinc/77/90/54/1072779054.db2.gz DXKDMBWRZQRARH-WWXXKSMJSA-N 0 0 772.754 10.119 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183761 1072780682 /nfs/dbraw/zinc/78/06/82/1072780682.db2.gz DHXAZUYAEUZBKK-CPCLYONDSA-N 0 0 831.616 9.737 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183549 1072783455 /nfs/dbraw/zinc/78/34/55/1072783455.db2.gz BTGGGOXREJHXLU-GADFCCKQSA-N 0 0 698.801 7.567 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409183548 1072783548 /nfs/dbraw/zinc/78/35/48/1072783548.db2.gz CYKZTMDYPJVYSO-LQKURTRISA-N 0 0 631.578 6.696 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183214 1072785363 /nfs/dbraw/zinc/78/53/63/1072785363.db2.gz AYQXLQPUYNTMQK-RQBSVBTHSA-N 0 0 785.135 9.214 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183088 1072786651 /nfs/dbraw/zinc/78/66/51/1072786651.db2.gz ADSYNCTVIWCOCR-DGWBYFALSA-N 0 0 794.743 8.959 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183143 1072787213 /nfs/dbraw/zinc/78/72/13/1072787213.db2.gz QGMBRKWFNGZOCK-MAKLYXNGSA-N 0 0 653.804 7.659 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409182931 1072787270 /nfs/dbraw/zinc/78/72/70/1072787270.db2.gz QHLKIAKHITUIGW-KSEXSDGBSA-N 0 0 528.461 6.693 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409182620 1072789283 /nfs/dbraw/zinc/78/92/83/1072789283.db2.gz NIYRAIFALBHGJW-KEBDBYFISA-N 0 0 707.755 7.673 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182490 1072789680 /nfs/dbraw/zinc/78/96/80/1072789680.db2.gz LUUJUYJMWFQHQX-HVPHOBGISA-N 0 0 762.284 8.050 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409182368 1072791592 /nfs/dbraw/zinc/79/15/92/1072791592.db2.gz KRVFAPWEWVJVAV-YZSQISJMSA-N 0 0 526.639 5.974 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(SC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181876 1072794240 /nfs/dbraw/zinc/79/42/40/1072794240.db2.gz GHSCEFOALGFTGC-FGSYFLBUSA-N 0 0 593.774 6.802 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409181398 1072796917 /nfs/dbraw/zinc/79/69/17/1072796917.db2.gz CHZILWIZDUZARG-HMAPJEAMSA-N 0 0 587.492 6.112 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1ccccc1 ZINC000409181479 1072797504 /nfs/dbraw/zinc/79/75/04/1072797504.db2.gz BKLICUMXIAMCNL-UDWIEESQSA-N 0 0 638.790 6.990 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181500 1072797891 /nfs/dbraw/zinc/79/78/91/1072797891.db2.gz CCRZLDDHTQSXRS-FESLYUKBSA-N 0 0 675.895 8.380 40 10 KKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409180196 1072806275 /nfs/dbraw/zinc/80/62/75/1072806275.db2.gz WXLRJMHNJLUETG-DJWKWYNNSA-N 0 0 508.534 6.857 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409179941 1072806720 /nfs/dbraw/zinc/80/67/20/1072806720.db2.gz QPLVVCZDLBZHRM-YVNNLAQVSA-N 0 0 547.986 6.750 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409179282 1072810894 /nfs/dbraw/zinc/81/08/94/1072810894.db2.gz LLTYNGNPJWYHRS-HYARGMPZSA-N 0 0 559.496 6.517 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409179213 1072811039 /nfs/dbraw/zinc/81/10/39/1072811039.db2.gz KXBYLQMPLZJQMB-SSDVNMTOSA-N 0 0 514.434 6.384 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178345 1072816899 /nfs/dbraw/zinc/81/68/99/1072816899.db2.gz KZWSDVKXBQACIT-GIJQJNRQSA-N 0 0 539.791 6.816 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409408135 1072816894 /nfs/dbraw/zinc/81/68/94/1072816894.db2.gz PMWJRZCUTLMOKB-NDENLUEZSA-N 0 0 574.802 5.384 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409177868 1072820922 /nfs/dbraw/zinc/82/09/22/1072820922.db2.gz IGKQGAONZHXUMD-KEBDBYFISA-N 0 0 565.873 6.630 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409177662 1072822027 /nfs/dbraw/zinc/82/20/27/1072822027.db2.gz HQLCFUMMNGHSJG-CFRMEGHHSA-N 0 0 548.686 5.363 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S)c1ccccc1 ZINC000409177583 1072822998 /nfs/dbraw/zinc/82/29/98/1072822998.db2.gz CGXNWSXRPJIJEZ-RGVLZGJSSA-N 0 0 624.416 6.715 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197127 1072827567 /nfs/dbraw/zinc/82/75/67/1072827567.db2.gz WQAXNSMXCPHGGF-SSDVNMTOSA-N 0 0 642.367 7.900 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409196932 1072828451 /nfs/dbraw/zinc/82/84/51/1072828451.db2.gz SORQFCLFJQJTQF-LSHDLFTRSA-N 0 0 591.892 7.004 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409196972 1072828505 /nfs/dbraw/zinc/82/85/05/1072828505.db2.gz YNBJXHJJPOJAKE-YBFXNURJSA-N 0 0 522.852 5.624 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409196840 1072829862 /nfs/dbraw/zinc/82/98/62/1072829862.db2.gz YDYSPOYBPCAZOY-XKZIYDEJSA-N 0 0 529.481 5.992 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1 ZINC000409195727 1072834886 /nfs/dbraw/zinc/83/48/86/1072834886.db2.gz KMSLKXJVRCJPPR-MIXAMLLLSA-N 0 0 519.695 7.315 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Br)c1 ZINC000409195523 1072836802 /nfs/dbraw/zinc/83/68/02/1072836802.db2.gz QJLFDKGSDRITAS-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409195292 1072837088 /nfs/dbraw/zinc/83/70/88/1072837088.db2.gz OFWSHDMPTFIXDJ-IWIPYMOSSA-N 0 0 521.664 5.367 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409194840 1072840126 /nfs/dbraw/zinc/84/01/26/1072840126.db2.gz NIHDMIJGGIADMR-WYMPLXKRSA-N 0 0 662.425 7.260 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409193101 1072851144 /nfs/dbraw/zinc/85/11/44/1072851144.db2.gz BQWCNENVGDIIFY-ROTLSHHCSA-N 0 0 674.626 6.636 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409187942 1072885331 /nfs/dbraw/zinc/88/53/31/1072885331.db2.gz DKPRAFQPADPXCF-WPWMEQJKSA-N 0 0 515.034 7.567 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)SC1=S ZINC000409206808 1072888445 /nfs/dbraw/zinc/88/84/45/1072888445.db2.gz QALXCXMSWFBTRW-YDZHTSKRSA-N 0 0 570.534 6.039 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000409206137 1072894022 /nfs/dbraw/zinc/89/40/22/1072894022.db2.gz HSTOYJQUNUJOKH-HZHRSRAPSA-N 0 0 502.617 5.505 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409205781 1072895079 /nfs/dbraw/zinc/89/50/79/1072895079.db2.gz TXOQSXKRKVQUDE-CVKSISIWSA-N 0 0 611.583 7.395 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409205808 1072895259 /nfs/dbraw/zinc/89/52/59/1072895259.db2.gz FVEIEQXUHTZHTI-RGVLZGJSSA-N 0 0 612.796 7.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409205432 1072898540 /nfs/dbraw/zinc/89/85/40/1072898540.db2.gz IKZXBPCSOXQMEQ-JJFYIABZSA-N 0 0 612.398 7.689 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409205252 1072899077 /nfs/dbraw/zinc/89/90/77/1072899077.db2.gz AVEXRDOMDHLKTA-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409205115 1072900547 /nfs/dbraw/zinc/90/05/47/1072900547.db2.gz MABDGYUKWXYFTB-RGVLZGJSSA-N 0 0 583.312 7.598 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)ccc1Cl ZINC000409205188 1072900815 /nfs/dbraw/zinc/90/08/15/1072900815.db2.gz GIIWBCFMOTXQHA-FOKLQQMPSA-N 0 0 571.120 6.226 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204732 1072903557 /nfs/dbraw/zinc/90/35/57/1072903557.db2.gz IXYIUKYBISWNAQ-SRZZPIQSSA-N 0 0 595.765 7.850 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409203384 1072910017 /nfs/dbraw/zinc/91/00/17/1072910017.db2.gz WVZDCEVAESDUAV-UHFFFAOYSA-N 0 0 504.546 5.072 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409202985 1072911984 /nfs/dbraw/zinc/91/19/84/1072911984.db2.gz VSHIUKHGNQAYTD-WOJGMQOQSA-N 0 0 525.433 5.408 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1O ZINC000409202446 1072912884 /nfs/dbraw/zinc/91/28/84/1072912884.db2.gz SIRNFPXYBZYNSJ-OVCLIPMQSA-N 0 0 562.248 5.564 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409201353 1072918168 /nfs/dbraw/zinc/91/81/68/1072918168.db2.gz LSNSHDYHZCOWRC-JVWAILMASA-N 0 0 585.617 5.824 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1 ZINC000409201132 1072918613 /nfs/dbraw/zinc/91/86/13/1072918613.db2.gz VSEGJTMTHDECBR-UUYOSTAYSA-N 0 0 601.931 6.612 40 10 KKCBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409201234 1072919139 /nfs/dbraw/zinc/91/91/39/1072919139.db2.gz OUZQLIMLBVSACS-ZMOGYAJESA-N 0 0 565.519 6.798 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409199698 1072924831 /nfs/dbraw/zinc/92/48/31/1072924831.db2.gz JCDAIFFXYKKVSL-NVMNQCDNSA-N 0 0 548.827 6.604 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409198787 1072927425 /nfs/dbraw/zinc/92/74/25/1072927425.db2.gz FIJGSMVIQJERME-SRZZPIQSSA-N 0 0 544.858 6.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198465 1072930455 /nfs/dbraw/zinc/93/04/55/1072930455.db2.gz GJEYBNHZBWCAGY-XKZIYDEJSA-N 0 0 507.593 6.203 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409198063 1072931889 /nfs/dbraw/zinc/93/18/89/1072931889.db2.gz VZKVWOLPKWFDHM-ZVHZXABRSA-N 0 0 599.528 6.280 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409198143 1072931954 /nfs/dbraw/zinc/93/19/54/1072931954.db2.gz YAZVVMMUKYHPFS-JMIUGGIZSA-N 0 0 537.426 7.281 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409197924 1072932404 /nfs/dbraw/zinc/93/24/04/1072932404.db2.gz SALXRGWDKSIMJJ-UDWIEESQSA-N 0 0 513.984 6.240 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409197483 1072935187 /nfs/dbraw/zinc/93/51/87/1072935187.db2.gz GRCQHIMMGTZSPD-MZJWZYIUSA-N 0 0 545.516 8.555 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409211186 1072962696 /nfs/dbraw/zinc/96/26/96/1072962696.db2.gz MQIANCDBNLJFTO-UFFVCSGVSA-N 0 0 545.796 5.181 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409227095 1072970701 /nfs/dbraw/zinc/97/07/01/1072970701.db2.gz XISAVMACKWOPJE-WNFQYIGGSA-N 0 0 552.842 6.868 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409227133 1072971077 /nfs/dbraw/zinc/97/10/77/1072971077.db2.gz PEEGRHZYDBGYPG-UCQKPKSFSA-N 0 0 587.492 6.410 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409226455 1072974623 /nfs/dbraw/zinc/97/46/23/1072974623.db2.gz WJQJBSMMAGZUDM-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409225428 1072978368 /nfs/dbraw/zinc/97/83/68/1072978368.db2.gz PRJPAZDTKLHCFZ-NKVSQWTQSA-N 0 0 551.949 6.580 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409224905 1072980914 /nfs/dbraw/zinc/98/09/14/1072980914.db2.gz JETHFFQJWLAOKS-UUYOSTAYSA-N 0 0 587.517 6.086 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OCC)cc1 ZINC000409224664 1072982422 /nfs/dbraw/zinc/98/24/22/1072982422.db2.gz IPOQTJJJIKSUKN-TYRKEJLSSA-N 0 0 562.713 6.464 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409223527 1072987768 /nfs/dbraw/zinc/98/77/68/1072987768.db2.gz ZWGBWOAQQVFLLM-MFOYZWKCSA-N 0 0 586.327 5.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409223303 1072987802 /nfs/dbraw/zinc/98/78/02/1072987802.db2.gz FDXXTYWLXQJYGU-UCQKPKSFSA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409223425 1072988703 /nfs/dbraw/zinc/98/87/03/1072988703.db2.gz ZLIIVTMZYFRKFZ-XYGWBWBKSA-N 0 0 553.105 6.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409221524 1072999077 /nfs/dbraw/zinc/99/90/77/1072999077.db2.gz RNHOQODWLBAPRJ-ODLFYWEKSA-N 0 0 549.512 5.622 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409221058 1073001267 /nfs/dbraw/zinc/00/12/67/1073001267.db2.gz KEMGCLLBPIQFOF-UUYOSTAYSA-N 0 0 562.566 6.276 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409220854 1073001661 /nfs/dbraw/zinc/00/16/61/1073001661.db2.gz GVIMESKSZXYLMD-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)c(OC)c3)SC2=S)cc1 ZINC000409220692 1073002851 /nfs/dbraw/zinc/00/28/51/1073002851.db2.gz DKUPYAMATJAKNF-MYYYXRDXSA-N 0 0 553.105 6.643 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409220806 1073003170 /nfs/dbraw/zinc/00/31/70/1073003170.db2.gz GCMVGYKWBOADHW-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2OCC)cc1 ZINC000409220500 1073004930 /nfs/dbraw/zinc/00/49/30/1073004930.db2.gz ASSQHCMYECLEHZ-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409219350 1073009031 /nfs/dbraw/zinc/00/90/31/1073009031.db2.gz LLOCVZWXRQRNEV-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409218572 1073012849 /nfs/dbraw/zinc/01/28/49/1073012849.db2.gz GFMZKZWYVMTDRF-JVWAILMASA-N 0 0 579.516 6.794 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409217795 1073014668 /nfs/dbraw/zinc/01/46/68/1073014668.db2.gz WRDODSHRDBUPDX-AWQFTUOYSA-N 0 0 505.796 6.890 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409230071 1073016315 /nfs/dbraw/zinc/01/63/15/1073016315.db2.gz WVVKUVLFSZKYRN-JAIQZWGSSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409229866 1073017238 /nfs/dbraw/zinc/01/72/38/1073017238.db2.gz VOVATNWNUVZHIS-RMORIDSASA-N 0 0 575.495 6.434 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409229851 1073018682 /nfs/dbraw/zinc/01/86/82/1073018682.db2.gz ALKJGRATQSNLJN-FMCGGJTJSA-N 0 0 583.485 5.597 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409229474 1073020266 /nfs/dbraw/zinc/02/02/66/1073020266.db2.gz POLLDULIISSDST-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409229009 1073023386 /nfs/dbraw/zinc/02/33/86/1073023386.db2.gz IJBVIBUABHODTB-ZVBGSRNCSA-N 0 0 501.942 5.701 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409228977 1073024876 /nfs/dbraw/zinc/02/48/76/1073024876.db2.gz HZOSOSFDKXZUSA-STBIYBPSSA-N 0 0 509.581 6.214 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)c(OC)c3)SC2=S)cc1 ZINC000409228409 1073026625 /nfs/dbraw/zinc/02/66/25/1073026625.db2.gz YOPBGJWIEBMFKL-UCQKPKSFSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409228531 1073027519 /nfs/dbraw/zinc/02/75/19/1073027519.db2.gz BGCCNPDLVFANGA-JJFYIABZSA-N 0 0 579.914 7.079 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409228533 1073027764 /nfs/dbraw/zinc/02/77/64/1073027764.db2.gz BGYHLJRASFEZOJ-QQXSKIMKSA-N 0 0 581.159 7.341 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409228214 1073028520 /nfs/dbraw/zinc/02/85/20/1073028520.db2.gz VZPAWLOJJRCSEK-CCVNUDIWSA-N 0 0 640.976 8.308 40 10 KKCBRN COc1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000409227932 1073029870 /nfs/dbraw/zinc/02/98/70/1073029870.db2.gz XPZOUSSSNIKWAA-QRVIBDJDSA-N 0 0 525.424 5.784 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409237206 1073032575 /nfs/dbraw/zinc/03/25/75/1073032575.db2.gz JYRKCAHNEBGBFF-QRVIBDJDSA-N 0 0 558.603 5.815 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409237247 1073032924 /nfs/dbraw/zinc/03/29/24/1073032924.db2.gz IXAGWQRBVLDHNK-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409237213 1073033042 /nfs/dbraw/zinc/03/30/42/1073033042.db2.gz IIDYVEKYFXEDAE-MYYYXRDXSA-N 0 0 586.657 7.090 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409236562 1073039128 /nfs/dbraw/zinc/03/91/28/1073039128.db2.gz RZKUAQTVOMQJFM-UQQQWYQISA-N 0 0 586.657 6.566 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409235982 1073041815 /nfs/dbraw/zinc/04/18/15/1073041815.db2.gz QZGIDIOMRYHGMT-IMRQLAEWSA-N 0 0 520.589 5.301 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)SC2=S)cc1 ZINC000409235835 1073042905 /nfs/dbraw/zinc/04/29/05/1073042905.db2.gz CHRHRZUMGGHZHE-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)SC1=S ZINC000409235432 1073043636 /nfs/dbraw/zinc/04/36/36/1073043636.db2.gz PWAIRLMPZQEYSN-NDENLUEZSA-N 0 0 583.957 6.438 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409235289 1073044570 /nfs/dbraw/zinc/04/45/70/1073044570.db2.gz AZYHHVYCDYVEOZ-UCQKPKSFSA-N 0 0 573.523 6.988 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409235238 1073046038 /nfs/dbraw/zinc/04/60/38/1073046038.db2.gz OJGSBOQJECAICS-QQXSKIMKSA-N 0 0 562.713 6.442 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)c(C)c1 ZINC000409235002 1073046147 /nfs/dbraw/zinc/04/61/47/1073046147.db2.gz ALSYSRIGLWQAED-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409234914 1073047436 /nfs/dbraw/zinc/04/74/36/1073047436.db2.gz AOKKXJWRUDIGIA-AFPJDJCSSA-N 0 0 563.484 6.404 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409234664 1073049725 /nfs/dbraw/zinc/04/97/25/1073049725.db2.gz OSSJQWVAIHTASU-QQXSKIMKSA-N 0 0 562.713 6.442 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409234459 1073050086 /nfs/dbraw/zinc/05/00/86/1073050086.db2.gz WWDJSXCEZCRTJU-OYKKKHCWSA-N 0 0 588.629 6.536 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409234152 1073051617 /nfs/dbraw/zinc/05/16/17/1073051617.db2.gz MNBUJNOZVLLPOM-ZVBGSRNCSA-N 0 0 562.848 6.324 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1 ZINC000409233242 1073055902 /nfs/dbraw/zinc/05/59/02/1073055902.db2.gz DWNDVYISAZZJQK-HMAPJEAMSA-N 0 0 558.512 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409232508 1073060263 /nfs/dbraw/zinc/06/02/63/1073060263.db2.gz QJOCJRJACXXYHF-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409232619 1073060839 /nfs/dbraw/zinc/06/08/39/1073060839.db2.gz AMHKBYNGHSUGAT-FMCGGJTJSA-N 0 0 575.495 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409232340 1073062234 /nfs/dbraw/zinc/06/22/34/1073062234.db2.gz NYFSEAUKLBCIPX-XYGWBWBKSA-N 0 0 553.105 6.724 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409231539 1073064776 /nfs/dbraw/zinc/06/47/76/1073064776.db2.gz LBSXTENEIDTBDU-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409230726 1073069002 /nfs/dbraw/zinc/06/90/02/1073069002.db2.gz FUEBLORCCJTFPD-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1 ZINC000409230550 1073069293 /nfs/dbraw/zinc/06/92/93/1073069293.db2.gz FJZUISUFEIKQTM-UCQKPKSFSA-N 0 0 557.619 6.195 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(I)c1O ZINC000409230485 1073069309 /nfs/dbraw/zinc/06/93/09/1073069309.db2.gz YUIZTAZBCQLXLP-MOSHPQCFSA-N 0 0 561.422 6.204 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409247025 1073072480 /nfs/dbraw/zinc/07/24/80/1073072480.db2.gz AUIULJIPDMBFBK-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccccc1Cl ZINC000409247002 1073072601 /nfs/dbraw/zinc/07/26/01/1073072601.db2.gz AOQNWCDMOPAWTO-FMCGGJTJSA-N 0 0 539.034 5.488 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409246808 1073073002 /nfs/dbraw/zinc/07/30/02/1073073002.db2.gz DTLMMPNKJFTTIL-XYGWBWBKSA-N 0 0 568.120 6.228 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409246549 1073075292 /nfs/dbraw/zinc/07/52/92/1073075292.db2.gz CRJKCRLLSGZDMG-KSEXSDGBSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)c(C)c1 ZINC000409246782 1073075367 /nfs/dbraw/zinc/07/53/67/1073075367.db2.gz BEHIGNAISAIHPF-OYKKKHCWSA-N 0 0 581.557 7.106 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409245651 1073082102 /nfs/dbraw/zinc/08/21/02/1073082102.db2.gz XAGJMAAUNZCLQE-ZDLGFXPLSA-N 0 0 555.903 5.658 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000409245553 1073083342 /nfs/dbraw/zinc/08/33/42/1073083342.db2.gz VTFVBYBVQSEVOH-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409245627 1073083688 /nfs/dbraw/zinc/08/36/88/1073083688.db2.gz WSEKNQKZPMRQCY-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409245424 1073084256 /nfs/dbraw/zinc/08/42/56/1073084256.db2.gz SPFCJFPRIVGSGL-ODLFYWEKSA-N 0 0 575.030 5.623 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000409245251 1073084963 /nfs/dbraw/zinc/08/49/63/1073084963.db2.gz PRTVACILWZAQKS-AYBCGVOZSA-N 0 0 561.523 5.464 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409245268 1073085184 /nfs/dbraw/zinc/08/51/84/1073085184.db2.gz QBCFJNFCFFOQNJ-UCQKPKSFSA-N 0 0 555.077 6.089 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409245146 1073085794 /nfs/dbraw/zinc/08/57/94/1073085794.db2.gz OBELXHLYHCOXEY-FMCGGJTJSA-N 0 0 577.486 6.955 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409244725 1073087636 /nfs/dbraw/zinc/08/76/36/1073087636.db2.gz HXWXJEVVYBNJDU-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409244387 1073088645 /nfs/dbraw/zinc/08/86/45/1073088645.db2.gz BVEOFYFMMVZDOC-JJFYIABZSA-N 0 0 563.915 7.379 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000409244381 1073088796 /nfs/dbraw/zinc/08/87/96/1073088796.db2.gz BTFQOVYVZVEAFR-VEILYXNESA-N 0 0 587.122 7.864 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409244009 1073090891 /nfs/dbraw/zinc/09/08/91/1073090891.db2.gz WHERUFVCVFKHOW-OYKKKHCWSA-N 0 0 571.095 6.918 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409243963 1073090940 /nfs/dbraw/zinc/09/09/40/1073090940.db2.gz ZSMKABOFPJDWFG-NHDPSOOVSA-N 0 0 582.547 7.148 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409243978 1073090952 /nfs/dbraw/zinc/09/09/52/1073090952.db2.gz ZYXZWNXXLAAIOZ-UFFVCSGVSA-N 0 0 518.397 6.215 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1Cl ZINC000409243382 1073092727 /nfs/dbraw/zinc/09/27/27/1073092727.db2.gz VZOICFMPCJZLGB-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409242909 1073094848 /nfs/dbraw/zinc/09/48/48/1073094848.db2.gz WRQYHYWEBGGNHC-BRPDVVIDSA-N 0 0 582.703 7.301 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)c(OCC)c3)SC2=S)cc1 ZINC000409242430 1073096692 /nfs/dbraw/zinc/09/66/92/1073096692.db2.gz NLXAAYLUAGYVLO-QQXSKIMKSA-N 0 0 564.685 5.916 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409242356 1073097575 /nfs/dbraw/zinc/09/75/75/1073097575.db2.gz RETLQFXKGATOPZ-DIBXZPPDSA-N 0 0 560.697 6.285 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409242176 1073097957 /nfs/dbraw/zinc/09/79/57/1073097957.db2.gz NGNAZQJWTJIABF-PKAZHMFMSA-N 0 0 561.729 6.191 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000409242267 1073098345 /nfs/dbraw/zinc/09/83/45/1073098345.db2.gz WMQABNMHWTWKCL-XKZIYDEJSA-N 0 0 571.493 6.628 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409241023 1073104172 /nfs/dbraw/zinc/10/41/72/1073104172.db2.gz MWYAYRPCINEKKD-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1 ZINC000409240822 1073104692 /nfs/dbraw/zinc/10/46/92/1073104692.db2.gz IHADMSAYFANWTJ-LPYMAVHISA-N 0 0 540.439 5.540 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)cc1 ZINC000409241091 1073104702 /nfs/dbraw/zinc/10/47/02/1073104702.db2.gz RAFQNADUYPAUFG-ZVHZXABRSA-N 0 0 503.624 5.703 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1 ZINC000409240530 1073106716 /nfs/dbraw/zinc/10/67/16/1073106716.db2.gz LEGWFUKEFBTDBL-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409240538 1073106821 /nfs/dbraw/zinc/10/68/21/1073106821.db2.gz LEUWOIKBRPVIPO-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409240555 1073106836 /nfs/dbraw/zinc/10/68/36/1073106836.db2.gz LGEITQRNZRLAKJ-OGLMXYFKSA-N 0 0 585.060 5.867 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409240452 1073108281 /nfs/dbraw/zinc/10/82/81/1073108281.db2.gz PUCIFIOYTPDSOF-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409240020 1073111360 /nfs/dbraw/zinc/11/13/60/1073111360.db2.gz PFPSDSTXOQDMBO-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409239562 1073113389 /nfs/dbraw/zinc/11/33/89/1073113389.db2.gz HGUJEYGHDYFBSM-ZDLGFXPLSA-N 0 0 589.455 6.105 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4CC)c(OCC)c3)SC2=S)cc1 ZINC000409239593 1073113422 /nfs/dbraw/zinc/11/34/22/1073113422.db2.gz ZMHWMTOTSDXMTP-IMRQLAEWSA-N 0 0 562.713 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409239567 1073113436 /nfs/dbraw/zinc/11/34/36/1073113436.db2.gz ZBTHGOGUWZCOTP-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409239607 1073113442 /nfs/dbraw/zinc/11/34/42/1073113442.db2.gz ZOFSAYMLCDMNJA-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409239357 1073113939 /nfs/dbraw/zinc/11/39/39/1073113939.db2.gz POMLOZYGYOEGSA-UNOMPAQXSA-N 0 0 569.930 6.130 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1 ZINC000409239470 1073114514 /nfs/dbraw/zinc/11/45/14/1073114514.db2.gz NOIUJKWALSBALZ-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409238825 1073117345 /nfs/dbraw/zinc/11/73/45/1073117345.db2.gz NYEAXMZJKPDHLA-OEAKJJBVSA-N 0 0 538.025 5.599 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409238420 1073120782 /nfs/dbraw/zinc/12/07/82/1073120782.db2.gz ZRUDEAAYTPIURX-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409238408 1073120860 /nfs/dbraw/zinc/12/08/60/1073120860.db2.gz ZOYYXBIAUVCFFV-NDZAJKAJSA-N 0 0 548.643 5.767 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1 ZINC000409238234 1073121264 /nfs/dbraw/zinc/12/12/64/1073121264.db2.gz WJJNDHUIMUTNSM-VEILYXNESA-N 0 0 537.641 6.445 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409237926 1073122989 /nfs/dbraw/zinc/12/29/89/1073122989.db2.gz KIISRUSUCKAFKU-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c1C ZINC000409237653 1073125486 /nfs/dbraw/zinc/12/54/86/1073125486.db2.gz KNQSEEBZKAGDCE-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S ZINC000409237684 1073125531 /nfs/dbraw/zinc/12/55/31/1073125531.db2.gz BDMJGLPHCLOIEV-MOSHPQCFSA-N 0 0 565.511 5.021 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409237352 1073126944 /nfs/dbraw/zinc/12/69/44/1073126944.db2.gz IHLKRXKOTCBYPP-XKZIYDEJSA-N 0 0 562.591 6.116 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409251100 1073130520 /nfs/dbraw/zinc/13/05/20/1073130520.db2.gz OINBLELDMXNYNJ-GRSHGNNSSA-N 0 0 511.452 5.631 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000409251063 1073130534 /nfs/dbraw/zinc/13/05/34/1073130534.db2.gz OCGDYMQJYCOZOG-QFEZKATASA-N 0 0 548.642 5.233 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409251123 1073131231 /nfs/dbraw/zinc/13/12/31/1073131231.db2.gz OODDUWSKSWOQFV-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)N1CCCC1 ZINC000409250383 1073136013 /nfs/dbraw/zinc/13/60/13/1073136013.db2.gz KRUFTKSUJGEUKZ-BWAHOGKJSA-N 0 0 516.644 5.886 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)SC(=CC3=CC(=NNc4ccc(Cl)cc4Cl)C=CC3=O)C2=O)cc1 ZINC000409249432 1073141289 /nfs/dbraw/zinc/14/12/89/1073141289.db2.gz JAEMMUBEUCHDRG-FTVCYETRSA-N 0 0 541.416 7.098 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c(C)c1 ZINC000409249573 1073142351 /nfs/dbraw/zinc/14/23/51/1073142351.db2.gz JVFFGGUSXJURSV-UQQQWYQISA-N 0 0 516.688 6.073 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409249575 1073142395 /nfs/dbraw/zinc/14/23/95/1073142395.db2.gz KLPMZVVNNFCFBZ-OEAKJJBVSA-N 0 0 510.015 5.821 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1 ZINC000409249428 1073143288 /nfs/dbraw/zinc/14/32/88/1073143288.db2.gz IZORIPKBXZUGGI-HAHDFKILSA-N 0 0 542.604 6.691 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1 ZINC000409248439 1073147924 /nfs/dbraw/zinc/14/79/24/1073147924.db2.gz GOEIFIJREDMDNV-HMAPJEAMSA-N 0 0 543.497 6.979 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1 ZINC000409248349 1073149280 /nfs/dbraw/zinc/14/92/80/1073149280.db2.gz FQJVQBGEWDBYLF-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409248009 1073150897 /nfs/dbraw/zinc/15/08/97/1073150897.db2.gz JKOGHICESXDEIN-MSXFZWOLSA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409256608 1073155307 /nfs/dbraw/zinc/15/53/07/1073155307.db2.gz MJJCSBOEIQTJAN-UCQKPKSFSA-N 0 0 543.041 6.301 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)SC1=S ZINC000409257276 1073157418 /nfs/dbraw/zinc/15/74/18/1073157418.db2.gz RWEMLQSKHVCWKN-MOSHPQCFSA-N 0 0 519.486 5.776 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1C ZINC000409256359 1073161428 /nfs/dbraw/zinc/16/14/28/1073161428.db2.gz OEWYTQVULDJHAE-RMORIDSASA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409256028 1073163343 /nfs/dbraw/zinc/16/33/43/1073163343.db2.gz NMRXNVHESCFPGU-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255981 1073164949 /nfs/dbraw/zinc/16/49/49/1073164949.db2.gz MYRCGMMTONWBFM-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1 ZINC000409255743 1073165328 /nfs/dbraw/zinc/16/53/28/1073165328.db2.gz IPDLCLORKUCTAW-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c(C)c1 ZINC000409255697 1073166729 /nfs/dbraw/zinc/16/67/29/1073166729.db2.gz ZKRDLODKTIZCGI-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000409254705 1073170002 /nfs/dbraw/zinc/17/00/02/1073170002.db2.gz ZYGNINUMDFSUIE-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254499 1073173926 /nfs/dbraw/zinc/17/39/26/1073173926.db2.gz DWRXERDCZBLWTC-UHFFFAOYSA-N 0 0 674.935 7.020 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000409254197 1073175893 /nfs/dbraw/zinc/17/58/93/1073175893.db2.gz VYFWKUUEBJGCME-JLPGSUDCSA-N 0 0 581.557 6.527 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1Cl ZINC000409253968 1073176761 /nfs/dbraw/zinc/17/67/61/1073176761.db2.gz WBUXPESJVUOZCR-OYKKKHCWSA-N 0 0 538.094 6.138 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000409253684 1073178521 /nfs/dbraw/zinc/17/85/21/1073178521.db2.gz GIDFYYPPBZSPLP-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409253772 1073179204 /nfs/dbraw/zinc/17/92/04/1073179204.db2.gz GOKHPHDSOCXGIX-UQQQWYQISA-N 0 0 517.676 5.738 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000409253606 1073180252 /nfs/dbraw/zinc/18/02/52/1073180252.db2.gz XIRXUVBYCBDMTI-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1Cl ZINC000409253425 1073180651 /nfs/dbraw/zinc/18/06/51/1073180651.db2.gz GBCOSPLQPIOAAG-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1Cl ZINC000409253264 1073181713 /nfs/dbraw/zinc/18/17/13/1073181713.db2.gz WPUVKAAJTOAMNV-KSEXSDGBSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409253273 1073181730 /nfs/dbraw/zinc/18/17/30/1073181730.db2.gz BEIOCSSDSBCCET-ODLFYWEKSA-N 0 0 510.559 5.341 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409252828 1073184105 /nfs/dbraw/zinc/18/41/05/1073184105.db2.gz UCWQBNLHFPPHGI-HZRSJKMUSA-N 0 0 539.078 6.329 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)c(C)c1 ZINC000409252838 1073184650 /nfs/dbraw/zinc/18/46/50/1073184650.db2.gz UELXLVMCXNHUDO-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)c1 ZINC000409252731 1073185674 /nfs/dbraw/zinc/18/56/74/1073185674.db2.gz SLLZGRCGTFBFGY-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409252579 1073186652 /nfs/dbraw/zinc/18/66/52/1073186652.db2.gz STAFRFRCSZKYOW-MOSHPQCFSA-N 0 0 555.505 5.647 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2Cl)cc1 ZINC000409252565 1073186691 /nfs/dbraw/zinc/18/66/91/1073186691.db2.gz SRGZVQWDPYHVJT-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409251851 1073190981 /nfs/dbraw/zinc/19/09/81/1073190981.db2.gz QNUGNFABQFMUJJ-XKZIYDEJSA-N 0 0 579.021 6.791 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409251540 1073193101 /nfs/dbraw/zinc/19/31/01/1073193101.db2.gz RAQUHLCUPKCMDK-UHSZJLINSA-N 0 0 546.714 6.628 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257311 1073193430 /nfs/dbraw/zinc/19/34/30/1073193430.db2.gz QALNFMQKOFHQAC-UHFFFAOYSA-N 0 0 610.066 6.648 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409265294 1073194836 /nfs/dbraw/zinc/19/48/36/1073194836.db2.gz RXHXLXQIGYLOMO-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409262886 1073195269 /nfs/dbraw/zinc/19/52/69/1073195269.db2.gz KLWAQGHSHPEFNM-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409262949 1073195279 /nfs/dbraw/zinc/19/52/79/1073195279.db2.gz KUPRGYYDWDNFJT-JLPGSUDCSA-N 0 0 539.078 5.810 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 ZINC000409267282 1073196080 /nfs/dbraw/zinc/19/60/80/1073196080.db2.gz UJKLVOKVVSYOHA-JJFYIABZSA-N 0 0 545.469 6.425 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)SC1=S ZINC000409266384 1073201554 /nfs/dbraw/zinc/20/15/54/1073201554.db2.gz WIWBDHQUSAIFPZ-XMSCMFJESA-N 0 0 542.604 6.685 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409266148 1073203574 /nfs/dbraw/zinc/20/35/74/1073203574.db2.gz JZCBGXHCHPIHPZ-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1 ZINC000409266122 1073203609 /nfs/dbraw/zinc/20/36/09/1073203609.db2.gz JTJFTIFMFHUHLW-QFEZKATASA-N 0 0 532.643 5.397 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409265786 1073204860 /nfs/dbraw/zinc/20/48/60/1073204860.db2.gz PFAAVOXEKUBAMA-FIOJILPZSA-N 0 0 546.714 6.682 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1Cl ZINC000409265860 1073205358 /nfs/dbraw/zinc/20/53/58/1073205358.db2.gz UQLRKGRQBQUYHK-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409265426 1073207517 /nfs/dbraw/zinc/20/75/17/1073207517.db2.gz SMNUWUOWQNBOQG-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409265058 1073207837 /nfs/dbraw/zinc/20/78/37/1073207837.db2.gz SCLZYSKHBVWCCY-ITYLOYPMSA-N 0 0 532.687 5.855 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC)C2=O)cc1Cl ZINC000033407643 1073207900 /nfs/dbraw/zinc/20/79/00/1073207900.db2.gz CIDHSNFRNOMOHL-XQNSMLJCSA-N 0 0 512.100 6.983 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409264845 1073210458 /nfs/dbraw/zinc/21/04/58/1073210458.db2.gz GHZMKIPRRCMWFJ-UZQMFHLOSA-N 0 0 533.071 5.055 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409264642 1073211022 /nfs/dbraw/zinc/21/10/22/1073211022.db2.gz QNXJMWCLYRWVIK-MTJSOVHGSA-N 0 0 537.490 5.799 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccccc1 ZINC000409264248 1073213604 /nfs/dbraw/zinc/21/36/04/1073213604.db2.gz OBASOAKRZPLHFW-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S ZINC000409264065 1073213938 /nfs/dbraw/zinc/21/39/38/1073213938.db2.gz JMKAWPCQQKVCHU-LRSOKBAUSA-N 0 0 543.497 6.973 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OC)cc1 ZINC000409264124 1073214313 /nfs/dbraw/zinc/21/43/13/1073214313.db2.gz OVADCLOZACYTRY-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 ZINC000409262828 1073220699 /nfs/dbraw/zinc/22/06/99/1073220699.db2.gz JBLDVELAXDKIKI-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409262715 1073221939 /nfs/dbraw/zinc/22/19/39/1073221939.db2.gz GOCCNHJOOWDUCM-QQXSKIMKSA-N 0 0 547.702 5.801 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OCC)c2)SC1=S ZINC000409262162 1073223181 /nfs/dbraw/zinc/22/31/81/1073223181.db2.gz FPXREKGIGAMLLP-BKUYFWCQSA-N 0 0 538.613 6.123 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409261847 1073224229 /nfs/dbraw/zinc/22/42/29/1073224229.db2.gz DNZSZICOASNPBP-GTNUZRKBSA-N 0 0 523.463 5.391 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409261914 1073224974 /nfs/dbraw/zinc/22/49/74/1073224974.db2.gz FXMHQIKFKNQMDW-HBAFHOPNSA-N 0 0 532.687 6.292 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409261280 1073227592 /nfs/dbraw/zinc/22/75/92/1073227592.db2.gz CGFZWZQULOBIGH-XKZIYDEJSA-N 0 0 529.014 5.911 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409261524 1073227684 /nfs/dbraw/zinc/22/76/84/1073227684.db2.gz DLUQIRCNNPJJLP-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)SC2=S)cc1 ZINC000409261331 1073228020 /nfs/dbraw/zinc/22/80/20/1073228020.db2.gz ADNMIWWCBMRVGX-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409261101 1073230444 /nfs/dbraw/zinc/23/04/44/1073230444.db2.gz BDELKPPYDYSUDX-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)SC1=S ZINC000409260813 1073232765 /nfs/dbraw/zinc/23/27/65/1073232765.db2.gz WWMBGCBFLULOQR-GMPVXANTSA-N 0 0 543.497 6.973 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409260240 1073234183 /nfs/dbraw/zinc/23/41/83/1073234183.db2.gz NFBLGRFWMOLHLT-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409260325 1073234648 /nfs/dbraw/zinc/23/46/48/1073234648.db2.gz OQBXFSLISYKVBE-UNOMPAQXSA-N 0 0 525.479 6.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409260203 1073235732 /nfs/dbraw/zinc/23/57/32/1073235732.db2.gz MMXLXFWYUMYWQY-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409259962 1073236267 /nfs/dbraw/zinc/23/62/67/1073236267.db2.gz IKJCEQYPOZPKKO-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)c1 ZINC000409259821 1073237038 /nfs/dbraw/zinc/23/70/38/1073237038.db2.gz GAYWGPUDZFBINH-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409259772 1073238672 /nfs/dbraw/zinc/23/86/72/1073238672.db2.gz FBFKPIJFYJHGHT-JLPGSUDCSA-N 0 0 522.623 5.296 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409259423 1073239850 /nfs/dbraw/zinc/23/98/50/1073239850.db2.gz ZBNCHYQAQRZKIA-NDENLUEZSA-N 0 0 524.586 5.733 40 10 KKCBRN O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409259357 1073241032 /nfs/dbraw/zinc/24/10/32/1073241032.db2.gz YRHDXUWNJLUOQO-UHFFFAOYSA-N 0 0 709.778 7.466 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409259201 1073241795 /nfs/dbraw/zinc/24/17/95/1073241795.db2.gz XEPIKZPGIKXSER-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409258973 1073242322 /nfs/dbraw/zinc/24/23/22/1073242322.db2.gz YOJULKQGWBSBQD-JAIQZWGSSA-N 0 0 519.431 6.005 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409258656 1073243793 /nfs/dbraw/zinc/24/37/93/1073243793.db2.gz YNVVUKSQUNVLQL-MYYYXRDXSA-N 0 0 518.660 5.413 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1C ZINC000409258688 1073243861 /nfs/dbraw/zinc/24/38/61/1073243861.db2.gz YYNJJKUTVXPUBN-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409258182 1073248432 /nfs/dbraw/zinc/24/84/32/1073248432.db2.gz RVCXZMZUOUKOFS-IWIPYMOSSA-N 0 0 538.094 6.138 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409257763 1073249284 /nfs/dbraw/zinc/24/92/84/1073249284.db2.gz QBYKMNUBXCUYJV-MXAYSNPKSA-N 0 0 548.642 5.151 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1 ZINC000409257803 1073249663 /nfs/dbraw/zinc/24/96/63/1073249663.db2.gz VFBFYSVWLQKPRJ-UQQQWYQISA-N 0 0 517.676 5.738 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1C ZINC000409272689 1073253012 /nfs/dbraw/zinc/25/30/12/1073253012.db2.gz RPHNQAJVQSYEOV-FMCGGJTJSA-N 0 0 527.042 6.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409272466 1073255796 /nfs/dbraw/zinc/25/57/96/1073255796.db2.gz YYQYZQRMKRWWMA-JAIQZWGSSA-N 0 0 523.463 5.409 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)ccc1Cl ZINC000409271409 1073263041 /nfs/dbraw/zinc/26/30/41/1073263041.db2.gz CMMZUXWKEIVVEJ-MTJSOVHGSA-N 0 0 594.915 5.800 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409271269 1073264838 /nfs/dbraw/zinc/26/48/38/1073264838.db2.gz TZAQJSMHXSLJIY-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1 ZINC000409271123 1073265803 /nfs/dbraw/zinc/26/58/03/1073265803.db2.gz JYJATCMUGPHIEF-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O ZINC000409270444 1073271383 /nfs/dbraw/zinc/27/13/83/1073271383.db2.gz POFQNSHBHRBGLX-CHHVJCJISA-N 0 0 517.797 5.373 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409270445 1073271434 /nfs/dbraw/zinc/27/14/34/1073271434.db2.gz POLZVSRKEJKKAD-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409270199 1073271848 /nfs/dbraw/zinc/27/18/48/1073271848.db2.gz DABKPAPHDPYSLN-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409269290 1073277875 /nfs/dbraw/zinc/27/78/75/1073277875.db2.gz AUAFBIZEOWBTRZ-AFPJDJCSSA-N 0 0 548.879 7.038 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409268779 1073282176 /nfs/dbraw/zinc/28/21/76/1073282176.db2.gz AHNHVQMJHMLSQS-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000409268614 1073282799 /nfs/dbraw/zinc/28/27/99/1073282799.db2.gz WPABZSOLYJYZCE-BWAHOGKJSA-N 0 0 518.660 5.547 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)ccc1Br ZINC000409268599 1073282858 /nfs/dbraw/zinc/28/28/58/1073282858.db2.gz WJKCMEHLZMXONX-GFIJVFARSA-N 0 0 547.496 5.155 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)ccc1Br ZINC000409268683 1073283229 /nfs/dbraw/zinc/28/32/29/1073283229.db2.gz XMQPZGACLKJKML-GFIJVFARSA-N 0 0 547.496 5.155 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409268455 1073283621 /nfs/dbraw/zinc/28/36/21/1073283621.db2.gz ZYTCWSHHGOMVKE-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2Cl)c(C)c1 ZINC000409267690 1073287866 /nfs/dbraw/zinc/28/78/66/1073287866.db2.gz VUVAPHBJKUXVPG-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409274286 1073312018 /nfs/dbraw/zinc/31/20/18/1073312018.db2.gz ONKTYLFNBDJWTO-MXAYSNPKSA-N 0 0 581.050 6.353 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)cc1Cl ZINC000409275669 1073333335 /nfs/dbraw/zinc/33/33/35/1073333335.db2.gz LDHHZBSSFPMUFU-YVNNLAQVSA-N 0 0 563.985 6.450 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409273100 1073334806 /nfs/dbraw/zinc/33/48/06/1073334806.db2.gz VJKRFSCBAWJREO-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000409272914 1073336505 /nfs/dbraw/zinc/33/65/05/1073336505.db2.gz UGIWIJWYNFDCFF-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059396996 193896856 /nfs/dbraw/zinc/89/68/56/193896856.db2.gz QTRCYKXVXBFEDS-OYKKKHCWSA-N 0 0 506.605 6.205 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225532034 193966519 /nfs/dbraw/zinc/96/65/19/193966519.db2.gz RHHUIHVAHPADTD-SMCANUKXSA-N 0 0 537.733 6.361 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224528803 193964025 /nfs/dbraw/zinc/96/40/25/193964025.db2.gz NQUWUOSNRMIOKZ-KYJUHHDHSA-N 0 0 504.659 6.828 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225530558 193965309 /nfs/dbraw/zinc/96/53/09/193965309.db2.gz MBTWPQVUCZNEOV-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225530632 193965614 /nfs/dbraw/zinc/96/56/14/193965614.db2.gz MBTWPQVUCZNEOV-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225548263 193978135 /nfs/dbraw/zinc/97/81/35/193978135.db2.gz FZIIDQXNTYPQFX-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408851961 195491816 /nfs/dbraw/zinc/49/18/16/195491816.db2.gz OHZMCRZIDQWXHK-JVWAILMASA-N 0 0 739.983 8.527 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000409050720 195500713 /nfs/dbraw/zinc/50/07/13/195500713.db2.gz YYSWPYHDRHDDFN-MRWVFDTMSA-N 0 0 662.208 5.825 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409051847 195503219 /nfs/dbraw/zinc/50/32/19/195503219.db2.gz GRPYZOVVOPEWDI-UCQKPKSFSA-N 0 0 540.504 6.747 40 10 KKCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1cccc(I)c1 ZINC000000924845 551578054 /nfs/dbraw/zinc/57/80/54/551578054.db2.gz VFXAKOKIWUTMOB-IBGZPJMESA-N 0 0 519.408 5.065 40 10 KKCBRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1cccc(I)c1 ZINC000000924755 551578120 /nfs/dbraw/zinc/57/81/20/551578120.db2.gz SHRPTNOMMLUWLF-UHFFFAOYSA-N 0 0 515.376 5.527 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccccc2)c1Cl)c1ccccc1 ZINC000001583207 551685279 /nfs/dbraw/zinc/68/52/79/551685279.db2.gz YRUPSQADLMNYJY-UHFFFAOYSA-N 0 0 597.523 5.428 40 10 KKCBRN CN(C)c1ccc(/C(=C(\c2ccc(N(C)C)cc2)c2cccc(Br)c2)c2cccc(Br)c2)cc1 ZINC000001621285 551686421 /nfs/dbraw/zinc/68/64/21/551686421.db2.gz PSOKASIVTIGUDT-FLWNBWAVSA-N 0 0 576.376 8.351 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)c1 ZINC000001786651 551700716 /nfs/dbraw/zinc/70/07/16/551700716.db2.gz QPKLMPRSXYZWPY-UCQKPKSFSA-N 0 0 539.103 6.769 40 10 KKCBRN CCN1c2ccccc2SC1=C/C(C)=C/c1sc2ccccc2[n+]1CC[C@@H](C)OS(=O)(=O)[O-] ZINC000001803890 551704104 /nfs/dbraw/zinc/70/41/04/551704104.db2.gz ZYFOYDLYFBNRGW-GOSISDBHSA-O 0 0 503.691 5.664 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001850545 551715332 /nfs/dbraw/zinc/71/53/32/551715332.db2.gz YQYLKUUAIPGFOY-ZPMAPHDVSA-N 0 0 591.708 5.883 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000001890327 551726500 /nfs/dbraw/zinc/72/65/00/551726500.db2.gz LINFJLNNRNZQMD-USDTVRPUSA-N 0 0 557.691 5.468 40 10 KKCBRN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 ZINC000002180403 551784933 /nfs/dbraw/zinc/78/49/33/551784933.db2.gz KDZXLRHRXAVANG-UZQPQNIJSA-N 0 0 530.572 6.229 40 10 KKCBRN CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000002235180 551798376 /nfs/dbraw/zinc/79/83/76/551798376.db2.gz GBKKQPUIFLMQLF-ASHZAFPQSA-N 0 0 522.428 7.606 40 10 KKCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCc3ccccc3)nc12 ZINC000002288368 552087865 /nfs/dbraw/zinc/08/78/65/552087865.db2.gz YYHHEUYYPXLXJS-CTNNYUBMSA-N 0 0 526.687 5.620 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccccc1 ZINC000003666826 552409277 /nfs/dbraw/zinc/40/92/77/552409277.db2.gz KNSXYDUHMDLLKC-QNGOZBTKSA-N 0 0 598.305 7.764 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000004017710 552428856 /nfs/dbraw/zinc/42/88/56/552428856.db2.gz HGADEBALAIOLJC-FDXQQUIASA-N 0 0 548.927 7.060 40 10 KKCBRN CCOC(=O)Nc1ccc2c(c1-c1c(NC(=O)OCC)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000004792021 552485030 /nfs/dbraw/zinc/48/50/30/552485030.db2.gz PDLZVNPRCHBCJS-UHFFFAOYSA-N 0 0 588.572 6.041 40 10 KKCBRN COc1ccccc1NN=c1c2nc3ccccc3nc1n(-c1ccccc1OC)c(=S)n2-c1ccccc1C ZINC000005487291 552502946 /nfs/dbraw/zinc/50/29/46/552502946.db2.gz ORLOCBLRGSDJFB-XAHDOWKMSA-N 0 0 546.656 7.732 40 10 KKCBRN CCOc1ccc(NN=C2C(=O)N(c3ccc(Br)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000005639578 552505764 /nfs/dbraw/zinc/50/57/64/552505764.db2.gz BZFAWLOZPCEHRR-BYYHNAKLSA-N 0 0 553.438 6.648 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000005809102 552509647 /nfs/dbraw/zinc/50/96/47/552509647.db2.gz QDRBXJXNJOWHIG-XAHDOWKMSA-N 0 0 550.018 7.964 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1 ZINC000005809348 552509706 /nfs/dbraw/zinc/50/97/06/552509706.db2.gz IHHUUEYEUCMZKT-XAHDOWKMSA-N 0 0 545.599 7.319 40 10 KKCBRN O=C1c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc2C(=O)c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc21 ZINC000006007060 552518373 /nfs/dbraw/zinc/51/83/73/552518373.db2.gz SDQFIZMKPYQETJ-UHFFFAOYSA-N 0 0 624.736 7.546 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C3CCCCC3)cc2)cc1 ZINC000006074958 552526064 /nfs/dbraw/zinc/52/60/64/552526064.db2.gz DWTDQTUZKPOWPW-YTTGMZPUSA-N 0 0 566.750 6.234 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1 ZINC000008765544 553138122 /nfs/dbraw/zinc/13/81/22/553138122.db2.gz SVZHFCNVBJLHMN-QJOMJCCJSA-N 0 0 521.733 6.443 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 ZINC000008765608 553138130 /nfs/dbraw/zinc/13/81/30/553138130.db2.gz OUVYNPRDYOETMD-BKUYFWCQSA-N 0 0 509.678 5.281 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1nc2ccccc2s1 ZINC000008819070 553153705 /nfs/dbraw/zinc/15/37/05/553153705.db2.gz BXDAZOBDRPXPIY-WJDWOHSUSA-N 0 0 504.456 5.289 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000008819451 553153989 /nfs/dbraw/zinc/15/39/89/553153989.db2.gz PIAVNQGPTCIZOG-UNOMPAQXSA-N 0 0 510.559 5.343 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000008819453 553154029 /nfs/dbraw/zinc/15/40/29/553154029.db2.gz XNBKMUDEKHQNRS-ODLFYWEKSA-N 0 0 511.452 5.631 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)c1 ZINC000008819235 553154035 /nfs/dbraw/zinc/15/40/35/553154035.db2.gz QEBDJDOMAORGFB-ULJHMMPZSA-N 0 0 518.685 6.506 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008819554 553154251 /nfs/dbraw/zinc/15/42/51/553154251.db2.gz PWGUGPHYKPACQM-MOHJPFBDSA-N 0 0 516.644 5.760 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000008819787 553154502 /nfs/dbraw/zinc/15/45/02/553154502.db2.gz VVXMEMMRIMKQAN-QLYXXIJNSA-N 0 0 506.737 6.238 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000008819941 553154618 /nfs/dbraw/zinc/15/46/18/553154618.db2.gz IIYBGNKNNFUXQH-QNGOZBTKSA-N 0 0 515.613 5.012 40 10 KKCBRN COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000008819922 553154628 /nfs/dbraw/zinc/15/46/28/553154628.db2.gz CHIVEOKFXJATPD-JWGURIENSA-N 0 0 500.642 5.113 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000008819859 553154642 /nfs/dbraw/zinc/15/46/42/553154642.db2.gz RIOMRQCPPMSPJJ-HKWRFOASSA-N 0 0 519.486 5.858 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000008819935 553154645 /nfs/dbraw/zinc/15/46/45/553154645.db2.gz ZWGMHLZJJLCMQF-QNGOZBTKSA-N 0 0 505.061 5.758 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)c(OC)c1 ZINC000008821530 553155856 /nfs/dbraw/zinc/15/58/56/553155856.db2.gz NRNZEGMYGKHHIC-RGVLZGJSSA-N 0 0 502.957 5.931 40 10 KKCBRN COc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000008821393 553155886 /nfs/dbraw/zinc/15/58/86/553155886.db2.gz JLRXBLRGZKGPQN-CFRMEGHHSA-N 0 0 510.036 6.536 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821908 553156018 /nfs/dbraw/zinc/15/60/18/553156018.db2.gz LAJZHEBNOJFCOV-KGENOOAVSA-N 0 0 502.398 6.185 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008821877 553156093 /nfs/dbraw/zinc/15/60/93/553156093.db2.gz YQBPDPFGEROYRO-HYARGMPZSA-N 0 0 512.950 5.440 40 10 KKCBRN O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000008871613 553171739 /nfs/dbraw/zinc/17/17/39/553171739.db2.gz SEDWJDKGQICDFL-NHDPSOOVSA-N 0 0 513.040 6.510 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)C2=N)S1 ZINC000008952397 553194004 /nfs/dbraw/zinc/19/40/04/553194004.db2.gz GDEDJJLDVKOQBV-UKHUTJJTSA-N 0 0 506.628 5.661 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000008984827 553196424 /nfs/dbraw/zinc/19/64/24/553196424.db2.gz AEJZGWZACQALRA-CGVBMLBPSA-N 0 0 520.655 5.689 40 10 KKCBRN CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000009012286 553199866 /nfs/dbraw/zinc/19/98/66/553199866.db2.gz HFUNXIVXRVSAQK-NXCFDTQHSA-N 0 0 502.397 6.324 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000009015619 553200383 /nfs/dbraw/zinc/20/03/83/553200383.db2.gz NLHCVMVLPUXLBR-KWXIBIRDSA-N 0 0 510.977 5.321 40 10 KKCBRN CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N21 ZINC000009109260 553209947 /nfs/dbraw/zinc/20/99/47/553209947.db2.gz HACUPTYMKASUIM-CYXNTTPDSA-N 0 0 512.403 5.780 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000009111172 553210296 /nfs/dbraw/zinc/21/02/96/553210296.db2.gz XYBWKYZIKQIYAG-FRXPANAUSA-N 0 0 513.568 6.450 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111075 553210375 /nfs/dbraw/zinc/21/03/75/553210375.db2.gz IZIAOPADRCMXMO-BESNRVDSSA-N 0 0 506.602 5.284 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000009188556 553218071 /nfs/dbraw/zinc/21/80/71/553218071.db2.gz ZEURRVVZCPSZCP-FMCGGJTJSA-N 0 0 516.471 7.295 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc(Br)ccc2O)C1=O ZINC000009281964 553233539 /nfs/dbraw/zinc/23/35/39/553233539.db2.gz SWMUVSSUYHLGER-VSKRKVRLSA-N 0 0 513.775 5.168 40 10 KKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010113660 553329303 /nfs/dbraw/zinc/32/93/03/553329303.db2.gz ZKONOJPAKLDROF-NDEPHWFRSA-N 0 0 506.071 5.644 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000012032294 553350253 /nfs/dbraw/zinc/35/02/53/553350253.db2.gz SBEGCWMMASUDDA-GRSHGNNSSA-N 0 0 505.503 5.125 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000012428800 553366094 /nfs/dbraw/zinc/36/60/94/553366094.db2.gz BXJQEAMAXHTLDC-ZDLGFXPLSA-N 0 0 500.350 7.678 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475196 553370641 /nfs/dbraw/zinc/37/06/41/553370641.db2.gz VIWVWHIPADXKCD-PMERELPUSA-N 0 0 512.654 5.588 40 10 KKCBRN CN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@]12CC(c1ccc(Br)cc1)=NO2 ZINC000012524063 553383190 /nfs/dbraw/zinc/38/31/90/553383190.db2.gz PEDGAFMFILNWNT-QQDRUZQMSA-N 0 0 520.387 7.021 40 10 KKCBRN CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000013025139 553435482 /nfs/dbraw/zinc/43/54/82/553435482.db2.gz WRUZDMMHKYDRDZ-MUUNZHRXSA-N 0 0 501.627 5.126 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014406676 553515622 /nfs/dbraw/zinc/51/56/22/553515622.db2.gz UPDZRSGOMBMGJV-ULJHMMPZSA-N 0 0 504.380 6.509 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014406689 553515624 /nfs/dbraw/zinc/51/56/24/553515624.db2.gz JXMMOCQOSBPVTG-BOPFTXTBSA-N 0 0 507.178 5.185 40 10 KKCBRN COc1cc(CNc2ccc(Nc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195471 553556420 /nfs/dbraw/zinc/55/64/20/553556420.db2.gz SVYKJQMWZXQORS-UHFFFAOYSA-N 0 0 523.858 8.046 40 10 KKCBRN Cc1cc(Br)c2c(c1NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1C2=O ZINC000016268829 553558066 /nfs/dbraw/zinc/55/80/66/553558066.db2.gz KZFYBTGCXMDKDU-UHFFFAOYSA-N 0 0 504.167 6.484 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5cc4OC)ccc3o2)cc1 ZINC000016678623 553571932 /nfs/dbraw/zinc/57/19/32/553571932.db2.gz RTFGTHWWJMKOAJ-UHFFFAOYSA-N 0 0 524.646 6.630 40 10 KKCBRN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070453926 553594008 /nfs/dbraw/zinc/59/40/08/553594008.db2.gz DSFUVWXNIUKHRX-UHFFFAOYSA-N 0 0 511.943 5.714 40 10 KKCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000017782047 553599669 /nfs/dbraw/zinc/59/96/69/553599669.db2.gz AFHFBCHKRTTWOD-FSSWDIPSSA-N 0 0 550.792 5.106 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000018146103 553606277 /nfs/dbraw/zinc/60/62/77/553606277.db2.gz JVJGTRBIYMNBEO-DSNGMDLFSA-N 0 0 507.929 5.188 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCSc2ccc(C)cc2)cc1 ZINC000020288626 553633383 /nfs/dbraw/zinc/63/33/83/553633383.db2.gz HEBXQSLSDFMLEA-PLRJNAJWSA-N 0 0 502.596 5.319 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2c[nH]c3ccccc23)cc1 ZINC000020288685 553633431 /nfs/dbraw/zinc/63/34/31/553633431.db2.gz PNBGOWZCJVIEHF-ITYLOYPMSA-N 0 0 507.619 5.643 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccc(F)cc4)N=C3c3ccc(OC)cc3)cc2)cc1 ZINC000020288457 553633480 /nfs/dbraw/zinc/63/34/80/553633480.db2.gz HEGLPAKVHXISDZ-BRPDVVIDSA-N 0 0 522.580 6.724 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000020288694 553633521 /nfs/dbraw/zinc/63/35/21/553633521.db2.gz JROQXACUOQWCGB-TZHWMEPESA-N 0 0 531.656 6.541 40 10 KKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(I)cc1 ZINC000083309595 553676721 /nfs/dbraw/zinc/67/67/21/553676721.db2.gz XFAABIUYFQECDT-RCCKNPSSSA-N 0 0 523.414 6.978 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867569 553687939 /nfs/dbraw/zinc/68/79/39/553687939.db2.gz XTMLICIYPNABCR-QDCTXOBDSA-N 0 0 713.399 11.836 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C ZINC000095831814 553713638 /nfs/dbraw/zinc/71/36/38/553713638.db2.gz IAFBRPFISOTXSO-DNTKMCMCSA-N 0 0 685.612 9.254 40 10 KKCBRN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C(c5cccs5)C[C@H]4c4ccccc4O)cc3n2)cc1 ZINC000097948499 553794411 /nfs/dbraw/zinc/79/44/11/553794411.db2.gz FGONLRDTEIXIQW-DEOSSOPVSA-N 0 0 575.616 7.297 40 10 KKCBRN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@H]1c1ccccc1O ZINC000097949097 553799381 /nfs/dbraw/zinc/79/93/81/553799381.db2.gz UVGVNOKGZAIIPL-SANMLTNESA-N 0 0 644.078 8.494 40 10 KKCBRN COc1ccc(C2=NN(C(=O)CC34C[C@H]5C[C@@H](C3)CC(n3cc(Br)c([N+](=O)[O-])n3)(C5)C4)[C@H](c3ccccc3O)C2)c(OC)c1 ZINC000097949193 553800376 /nfs/dbraw/zinc/80/03/76/553800376.db2.gz GUBKXYGMOIIYGA-GHPGYHFBSA-N 0 0 664.557 6.340 40 10 KKCBRN COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S ZINC000028048163 553837349 /nfs/dbraw/zinc/83/73/49/553837349.db2.gz ZMMVGKISVPLCMG-ODLFYWEKSA-N 0 0 512.436 5.345 40 10 KKCBRN Cc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1Cl ZINC000097959097 553860726 /nfs/dbraw/zinc/86/07/26/553860726.db2.gz PPNZTGYLVBABCQ-JFMBBZOCSA-N 0 0 585.900 7.080 40 10 KKCBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2c1 ZINC000032109645 553863603 /nfs/dbraw/zinc/86/36/03/553863603.db2.gz LEBXYBLDGZLMFZ-IWIPYMOSSA-N 0 0 506.649 5.786 40 10 KKCBRN COc1ccc(/C=C2\SC(N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000032598180 553870016 /nfs/dbraw/zinc/87/00/16/553870016.db2.gz BBTKELGSAVYWEI-IVLOUNGWSA-N 0 0 519.626 6.679 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCCCOc2ccccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000097961919 553881717 /nfs/dbraw/zinc/88/17/17/553881717.db2.gz ARANYIKMZCLPSL-JLPGSUDCSA-N 0 0 530.498 7.243 40 10 KKCBRN CC(C)Cc1nn2c(/C=C3/C(=N)N4N=C(C56CC7CC(CC(C7)C5)C6)SC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000097964302 553896885 /nfs/dbraw/zinc/89/68/85/553896885.db2.gz SGAAFOCCACLRKW-UQEXTMRTSA-N 0 0 569.760 6.492 40 10 KKCBRN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000097964276 553896908 /nfs/dbraw/zinc/89/69/08/553896908.db2.gz DVUMVRHNCLLTQD-HAHDFKILSA-N 0 0 532.488 6.703 40 10 KKCBRN N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CCCCC4)nn23)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000097964303 553897181 /nfs/dbraw/zinc/89/71/81/553897181.db2.gz XUVMICORKJEWRF-DTSRWIBWSA-N 0 0 529.573 5.687 40 10 KKCBRN Cc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1C ZINC000097964337 553897464 /nfs/dbraw/zinc/89/74/64/553897464.db2.gz JDWZUAYDACXFDB-HQVVKLGBSA-N 0 0 539.705 6.927 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000097964373 553897810 /nfs/dbraw/zinc/89/78/10/553897810.db2.gz SHFYLQAMHHBRSY-SXGWCWSVSA-N 0 0 531.824 5.363 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)cc1 ZINC000097964511 553898950 /nfs/dbraw/zinc/89/89/50/553898950.db2.gz YFMFIVYLEWXHMM-OZLIACCRSA-N 0 0 590.727 6.404 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=N)S1 ZINC000097964671 553899738 /nfs/dbraw/zinc/89/97/38/553899738.db2.gz MGECHNAATPINCR-CCYMOEEVSA-N 0 0 521.857 7.035 40 10 KKCBRN COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)cc1 ZINC000097964673 553899819 /nfs/dbraw/zinc/89/98/19/553899819.db2.gz ZSJBRMAJNZNSJV-XQWBAOJFSA-N 0 0 543.045 5.480 40 10 KKCBRN Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964797 553900949 /nfs/dbraw/zinc/90/09/49/553900949.db2.gz OCVMVLRLGPQCMI-HOPZWBBKSA-N 0 0 534.645 5.790 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc2n1Cc1ccccc1C ZINC000097964892 553901541 /nfs/dbraw/zinc/90/15/41/553901541.db2.gz UYTCRNMYCFJKAB-ZXALEFIUSA-N 0 0 524.049 6.627 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000097964996 553902260 /nfs/dbraw/zinc/90/22/60/553902260.db2.gz QXVUMDPYUFGBMP-XKZIYDEJSA-N 0 0 591.467 6.419 40 10 KKCBRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)C1 ZINC000097979037 553975820 /nfs/dbraw/zinc/97/58/20/553975820.db2.gz PPXLGAXJRVCZBM-MKCKKVMJSA-N 0 0 534.638 5.564 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035080445 554034387 /nfs/dbraw/zinc/03/43/87/554034387.db2.gz MULKFWKJNKDAOE-UHFFFAOYSA-N 0 0 505.939 5.866 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(I)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000097996145 554038345 /nfs/dbraw/zinc/03/83/45/554038345.db2.gz BWYBDYNVLBKPIF-MXBOTTGLSA-N 0 0 624.430 6.338 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(I)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000097996146 554038392 /nfs/dbraw/zinc/03/83/92/554038392.db2.gz BWYBDYNVLBKPIF-NEEKEDPPSA-N 0 0 624.430 6.338 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(I)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000097996143 554038400 /nfs/dbraw/zinc/03/84/00/554038400.db2.gz BWYBDYNVLBKPIF-SUYBVONHSA-N 0 0 624.430 6.338 40 10 KKCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)S2)cc1 ZINC000035645808 554062074 /nfs/dbraw/zinc/06/20/74/554062074.db2.gz CIKBFLMQAAKOIS-PCLIKHOPSA-N 0 0 509.027 6.799 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100080586 554206719 /nfs/dbraw/zinc/20/67/19/554206719.db2.gz UKHXZUQUOWLXDL-UHFFFAOYSA-N 0 0 566.045 5.779 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(OC)c(OCCc3ccccc3)cc2Br)SC1=S ZINC000036613169 554226269 /nfs/dbraw/zinc/22/62/69/554226269.db2.gz YSMZOVGMDZTGBO-STZFKDTASA-N 0 0 506.487 6.081 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000036613141 554226335 /nfs/dbraw/zinc/22/63/35/554226335.db2.gz MCEACGYYDYAPKY-UQQQWYQISA-N 0 0 516.644 5.803 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000100140210 554227684 /nfs/dbraw/zinc/22/76/84/554227684.db2.gz VUZSOYNTAMBUNA-LGUFXXKBSA-N 0 0 539.569 5.505 40 10 KKCBRN CCCCC1([C@@H](Nc2ccc(C(=O)OC)cc2)c2ccc(Br)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000100144260 554230166 /nfs/dbraw/zinc/23/01/66/554230166.db2.gz REXDIKPFNKTSBP-PMERELPUSA-N 0 0 626.551 7.561 40 10 KKCBRN Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O[C@@H](C)c1c(C)ccc(C)c1-c1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000100207359 554248254 /nfs/dbraw/zinc/24/82/54/554248254.db2.gz GMEHCXXNPOETNG-NRFANRHFSA-N 0 0 559.493 8.444 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OC ZINC000100229926 554255271 /nfs/dbraw/zinc/25/52/71/554255271.db2.gz MZNIBCULVNOMKC-LFVJCYFKSA-N 0 0 585.454 6.901 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000100264770 554266650 /nfs/dbraw/zinc/26/66/50/554266650.db2.gz IKXOMAKXKKRFOK-OVCLIPMQSA-N 0 0 517.239 5.761 40 10 KKCBRN COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000100268843 554268488 /nfs/dbraw/zinc/26/84/88/554268488.db2.gz JFIJASTZLXNVHY-JLPGSUDCSA-N 0 0 522.604 5.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O[C@@H](C)c1ccccc1 ZINC000100268856 554268595 /nfs/dbraw/zinc/26/85/95/554268595.db2.gz RUUPMNOWWGCNIB-WSLHGYQHSA-N 0 0 554.531 7.389 40 10 KKCBRN CCCOC(=O)CCCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000040938988 554291707 /nfs/dbraw/zinc/29/17/07/554291707.db2.gz KNTWXLNAKOZGMH-DQRAZIAOSA-N 0 0 515.056 5.192 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000041084210 554294417 /nfs/dbraw/zinc/29/44/17/554294417.db2.gz LLAPYFUJQQZMIC-ZFLZBDSRSA-N 0 0 506.591 5.091 40 10 KKCBRN CC[C@H](C)c1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000041108565 554295509 /nfs/dbraw/zinc/29/55/09/554295509.db2.gz ISEWIIMTUBWAIY-ZZAQJSIPSA-N 0 0 526.727 7.635 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000041108567 554295520 /nfs/dbraw/zinc/29/55/20/554295520.db2.gz PRYJQQQBOYQMAV-USHMODERSA-N 0 0 526.727 7.419 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100310177 554299988 /nfs/dbraw/zinc/29/99/88/554299988.db2.gz DZAYIGYAEZKYIF-UUYOSTAYSA-N 0 0 523.548 5.705 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000100319937 554304509 /nfs/dbraw/zinc/30/45/09/554304509.db2.gz KURZCORAPOEWPK-UDWIEESQSA-N 0 0 558.803 6.338 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100323211 554306939 /nfs/dbraw/zinc/30/69/39/554306939.db2.gz KATQGFJMGHYTFD-APSNUPSMSA-N 0 0 519.269 6.175 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100323377 554307184 /nfs/dbraw/zinc/30/71/84/554307184.db2.gz DAICDISUDVPLHL-SRZZPIQSSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000100323412 554307209 /nfs/dbraw/zinc/30/72/09/554307209.db2.gz ZYBQXQPEWABXTI-SRZZPIQSSA-N 0 0 536.889 7.640 40 10 KKCBRN COc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000100332794 554315100 /nfs/dbraw/zinc/31/51/00/554315100.db2.gz XLWXYZWHWHJRFX-JGCGQSQUSA-N 0 0 538.692 6.008 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000100342268 554327262 /nfs/dbraw/zinc/32/72/62/554327262.db2.gz AUHIKINAYDNZBC-CPNJWEJPSA-N 0 0 555.459 5.893 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000100353457 554332217 /nfs/dbraw/zinc/33/22/17/554332217.db2.gz TUTIFMCIDKOUSA-XHPQRKPJSA-N 0 0 546.739 7.286 40 10 KKCBRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000100357208 554337772 /nfs/dbraw/zinc/33/77/72/554337772.db2.gz UZNSTMMJXCQQRA-HHHXNRCGSA-N 0 0 538.044 5.225 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100367997 554354228 /nfs/dbraw/zinc/35/42/28/554354228.db2.gz TVOAPFDDUWUWIR-RGVLZGJSSA-N 0 0 553.008 7.824 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000100369377 554355557 /nfs/dbraw/zinc/35/55/57/554355557.db2.gz RDVNHSWLUFBATO-UDWIEESQSA-N 0 0 530.008 6.713 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)c1 ZINC000100370259 554356133 /nfs/dbraw/zinc/35/61/33/554356133.db2.gz DSZOPNBXSBPTKY-UUYOSTAYSA-N 0 0 525.076 6.379 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000058833906 554365797 /nfs/dbraw/zinc/36/57/97/554365797.db2.gz NCHIWOUUNOTQKP-HSUOJCLFSA-N 0 0 526.105 5.818 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000058845641 554365999 /nfs/dbraw/zinc/36/59/99/554365999.db2.gz VDRSQZSHQRPRCX-DFIYOIEZSA-N 0 0 511.441 6.085 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058846639 554366487 /nfs/dbraw/zinc/36/64/87/554366487.db2.gz KXFZTXZMBAUXCE-PPJWLVRDSA-N 0 0 509.469 6.693 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846583 554366498 /nfs/dbraw/zinc/36/64/98/554366498.db2.gz CIBZNBGZEKSXOH-OREGWCPLSA-N 0 0 505.596 5.848 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847220 554366616 /nfs/dbraw/zinc/36/66/16/554366616.db2.gz OTZWKJWZZIQAEX-OBWXTZQISA-N 0 0 505.854 7.274 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847043 554366636 /nfs/dbraw/zinc/36/66/36/554366636.db2.gz KSSZBMOUPMKWEX-BALWLHIASA-N 0 0 508.615 6.250 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847170 554366648 /nfs/dbraw/zinc/36/66/48/554366648.db2.gz WQXJBVQTICTTBC-SXDGJLEOSA-N 0 0 508.615 6.250 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847535 554366753 /nfs/dbraw/zinc/36/67/53/554366753.db2.gz JSCZFIJYCJASHG-RHGYRFJNSA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847682 554367048 /nfs/dbraw/zinc/36/70/48/554367048.db2.gz ZSFXZEAFTCOWTI-RJYGXOMWSA-N 0 0 515.418 6.349 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848038 554367238 /nfs/dbraw/zinc/36/72/38/554367238.db2.gz RRXYIWSFEBIRBO-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848301 554367600 /nfs/dbraw/zinc/36/76/00/554367600.db2.gz UZMNMCOSLITSQZ-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848347 554367634 /nfs/dbraw/zinc/36/76/34/554367634.db2.gz AIJZAHIQEHJXJF-YZUZCNPQSA-N 0 0 515.860 6.730 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1OC)N2 ZINC000058849121 554368283 /nfs/dbraw/zinc/36/82/83/554368283.db2.gz YEEKYSDXXJZPCY-GTNJKRJXSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058848832 554368334 /nfs/dbraw/zinc/36/83/34/554368334.db2.gz ZOTGLVLHHANJMH-DFIYOIEZSA-N 0 0 500.542 6.341 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c(OC)c1 ZINC000058849293 554368759 /nfs/dbraw/zinc/36/87/59/554368759.db2.gz AJLKPBQIYPGNQL-VKIDHGPPSA-N 0 0 522.623 5.348 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058849538 554369031 /nfs/dbraw/zinc/36/90/31/554369031.db2.gz IQFWIDONTIRZBR-GTNJKRJXSA-N 0 0 522.623 5.348 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000058865584 554370561 /nfs/dbraw/zinc/37/05/61/554370561.db2.gz QAAXOZADAFPEOA-UHFFFAOYSA-N 0 0 521.791 5.834 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415401 554381547 /nfs/dbraw/zinc/38/15/47/554381547.db2.gz YUFLAILITWSYGG-HKBOAZHASA-N 0 0 570.317 5.163 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139049 554382788 /nfs/dbraw/zinc/38/27/88/554382788.db2.gz UFVMZUGEWWQZBH-UQQQWYQISA-N 0 0 507.502 6.055 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059138984 554382859 /nfs/dbraw/zinc/38/28/59/554382859.db2.gz SOUGMRLXYYPEKB-WPWMEQJKSA-N 0 0 520.545 5.894 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N(C)C1=S ZINC000059139437 554383030 /nfs/dbraw/zinc/38/30/30/554383030.db2.gz ADJOPKDWCOOJBC-UHFFFAOYSA-N 0 0 504.222 5.478 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139108 554383056 /nfs/dbraw/zinc/38/30/56/554383056.db2.gz YXGUNRZECUVVDG-KOEQRZSOSA-N 0 0 521.529 6.363 40 10 KKCBRN CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(C)C1=S ZINC000059139241 554383101 /nfs/dbraw/zinc/38/31/01/554383101.db2.gz VDPGYDUENPHAMO-UHFFFAOYSA-N 0 0 512.034 6.063 40 10 KKCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc4ccccc43)C(=O)c3ccccc3C2=O)cc1C ZINC000100416639 554384239 /nfs/dbraw/zinc/38/42/39/554384239.db2.gz RSUVJNZWVQTZBO-KWXIBIRDSA-N 0 0 501.538 5.152 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)c2ccc(Cl)cc2Cl)cc1 ZINC000100438186 554393358 /nfs/dbraw/zinc/39/33/58/554393358.db2.gz GYHLSULMDFGIHR-XMMPIXPASA-N 0 0 558.466 5.755 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484764 554397795 /nfs/dbraw/zinc/39/77/95/554397795.db2.gz ZHWJZLQNQXGWMM-JJIBRWJFSA-N 0 0 511.375 6.494 40 10 KKCBRN CCCCC1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000059498137 554399283 /nfs/dbraw/zinc/39/92/83/554399283.db2.gz CWMGQGJZFIJFGG-UHFFFAOYSA-N 0 0 510.421 6.494 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000059514304 554401313 /nfs/dbraw/zinc/40/13/13/554401313.db2.gz UZBYDIUGXLWIJS-CIAFOILYSA-N 0 0 509.521 5.710 40 10 KKCBRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100483415 554402102 /nfs/dbraw/zinc/40/21/02/554402102.db2.gz UWHGMZXGAPKFFJ-UHFFFAOYSA-N 0 0 557.097 5.360 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000100503623 554406826 /nfs/dbraw/zinc/40/68/26/554406826.db2.gz GVKIIOSZDRLRPI-MTJSOVHGSA-N 0 0 516.427 6.627 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)SC2=S)cc1 ZINC000059609114 554412228 /nfs/dbraw/zinc/41/22/28/554412228.db2.gz XAVAGQYUROCMPY-QRVIBDJDSA-N 0 0 560.922 7.092 40 10 KKCBRN CC(C)(C)Cc1ccc(OCC(=O)Nc2cc(=O)n(-c3c(F)c(F)c(F)c(F)c3F)[nH]2)c(CC(C)(C)C)c1 ZINC000059662165 554420537 /nfs/dbraw/zinc/42/05/37/554420537.db2.gz LIFSOHIBBASECY-UHFFFAOYSA-N 0 0 539.545 5.805 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000059690669 554424639 /nfs/dbraw/zinc/42/46/39/554424639.db2.gz ZHKAOJLBWHEOAW-AUAXKSBWSA-N 0 0 599.565 6.297 40 10 KKCBRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1 ZINC000059690819 554424681 /nfs/dbraw/zinc/42/46/81/554424681.db2.gz SBHODPDIHUHFQP-HMIUAYQISA-N 0 0 532.669 7.372 40 10 KKCBRN O=C(CSc1ncc(Cc2ccc(F)cc2)s1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000059722799 554426546 /nfs/dbraw/zinc/42/65/46/554426546.db2.gz ZSBRCUCDZZWHHL-UHFFFAOYSA-N 0 0 523.602 6.670 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000100947926 554536431 /nfs/dbraw/zinc/53/64/31/554536431.db2.gz NEEHTNUKRAKUDM-CBPRFPNYSA-N 0 0 577.681 5.482 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6c(C)cccc6C)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000100954112 554538354 /nfs/dbraw/zinc/53/83/54/554538354.db2.gz XAWKKIYJCPYKQB-BSTSVQRWSA-N 0 0 601.772 6.360 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Cl)c3)SC2=S)cc1 ZINC000100967642 554543325 /nfs/dbraw/zinc/54/33/25/554543325.db2.gz VQWBNUIWAFWVAE-QRVIBDJDSA-N 0 0 607.922 6.934 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000100975828 554546825 /nfs/dbraw/zinc/54/68/25/554546825.db2.gz MGYKOCGJDJNLPC-AFUMVMLFSA-N 0 0 597.556 6.493 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000100982428 554547895 /nfs/dbraw/zinc/54/78/95/554547895.db2.gz CXCCZDUPGZLSNH-XKZIYDEJSA-N 0 0 598.313 8.722 40 10 KKCBRN O=C(Nc1ccc(Br)cc1)Oc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000100994637 554550511 /nfs/dbraw/zinc/55/05/11/554550511.db2.gz UNECELRMGASBPQ-LPGQDOADSA-N 0 0 519.442 5.440 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000101002045 554552487 /nfs/dbraw/zinc/55/24/87/554552487.db2.gz NYQYVXQNMKWDBN-YBEGLDIGSA-N 0 0 515.376 5.698 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4cccc(C)c4C)C3=O)SC2=S)c1C ZINC000101002383 554552673 /nfs/dbraw/zinc/55/26/73/554552673.db2.gz UIAZEZUEVSHMEF-WCWDXBQESA-N 0 0 612.824 5.210 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000101002384 554552943 /nfs/dbraw/zinc/55/29/43/554552943.db2.gz RMRWODPYWWKXQP-WCWDXBQESA-N 0 0 612.824 5.210 40 10 KKCBRN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4cccc(C)c4)C3=O)SC2=S)c1 ZINC000101002450 554552958 /nfs/dbraw/zinc/55/29/58/554552958.db2.gz SSBJRRNXTJUXOU-WCWDXBQESA-N 0 0 612.824 5.373 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101002633 554553060 /nfs/dbraw/zinc/55/30/60/554553060.db2.gz KPBSOMQLDMHRLD-YDZHTSKRSA-N 0 0 539.103 6.769 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 ZINC000101005984 554553964 /nfs/dbraw/zinc/55/39/64/554553964.db2.gz RZBRQOASGSNRJW-ZHZULCJRSA-N 0 0 523.661 5.217 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(I)cc1 ZINC000101006298 554554157 /nfs/dbraw/zinc/55/41/57/554554157.db2.gz YKLGTNZXISPOFK-CYVLTUHYSA-N 0 0 536.460 5.692 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101006449 554554226 /nfs/dbraw/zinc/55/42/26/554554226.db2.gz JLIGOJBGOAKFGU-ZHZULCJRSA-N 0 0 550.487 6.000 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000101006658 554554391 /nfs/dbraw/zinc/55/43/91/554554391.db2.gz QPKSJPQOUYDBJP-JAIQZWGSSA-N 0 0 543.925 7.056 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101006668 554554408 /nfs/dbraw/zinc/55/44/08/554554408.db2.gz HOQJYWZKRAUIPV-HKWRFOASSA-N 0 0 566.486 5.700 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 ZINC000101006707 554554413 /nfs/dbraw/zinc/55/44/13/554554413.db2.gz USJGZMIVOQISOU-ULJHMMPZSA-N 0 0 551.759 6.451 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000101007103 554554747 /nfs/dbraw/zinc/55/47/47/554554747.db2.gz LOQKYVCKUWLYFM-HKWRFOASSA-N 0 0 536.597 5.892 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101007754 554555694 /nfs/dbraw/zinc/55/56/94/554555694.db2.gz VEPKISFVMNQCLE-LQPYYSGTSA-N 0 0 549.142 7.707 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101007651 554555698 /nfs/dbraw/zinc/55/56/98/554555698.db2.gz FOASPEAIFMGQPT-MIAABOGCSA-N 0 0 526.108 6.174 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(I)cc1 ZINC000101008080 554556134 /nfs/dbraw/zinc/55/61/34/554556134.db2.gz PBYMBODSOYSQRP-LFIBNONCSA-N 0 0 528.824 5.175 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)sc2c1CCCC2 ZINC000101008208 554556337 /nfs/dbraw/zinc/55/63/37/554556337.db2.gz BLLLOZGHSVASAN-HMMYKYKNSA-N 0 0 528.721 5.732 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000101013324 554558668 /nfs/dbraw/zinc/55/86/68/554558668.db2.gz WFRDEUVQMVGZPO-ONUIUJJFSA-N 0 0 538.044 5.859 40 10 KKCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000101013340 554558718 /nfs/dbraw/zinc/55/87/18/554558718.db2.gz DOVZHZVKHJNOEJ-IMRQLAEWSA-N 0 0 552.071 6.249 40 10 KKCBRN CC[C@H](C)NC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)N[C@@H](C)CC)c4)C3=O)SC2=S)c1 ZINC000101017031 554560794 /nfs/dbraw/zinc/56/07/94/554560794.db2.gz NLBNAVJNLSKWMM-ZLVSMDRDSA-N 0 0 612.824 5.384 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000101035953 554565498 /nfs/dbraw/zinc/56/54/98/554565498.db2.gz HHURUKUFSRKNNK-MTJSOVHGSA-N 0 0 548.564 5.726 40 10 KKCBRN COc1cc(Br)c(Br)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000101090263 554581657 /nfs/dbraw/zinc/58/16/57/554581657.db2.gz VNEVIEAYUQHODV-VGOFMYFVSA-N 0 0 515.248 5.327 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000101093419 554583512 /nfs/dbraw/zinc/58/35/12/554583512.db2.gz ZWJMXNUHRNBJBO-FYJGNVAPSA-N 0 0 551.589 5.888 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC1=S ZINC000101099522 554586075 /nfs/dbraw/zinc/58/60/75/554586075.db2.gz UQCAFBXVEZTEQL-OVCLIPMQSA-N 0 0 536.243 6.008 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101133323 554650675 /nfs/dbraw/zinc/65/06/75/554650675.db2.gz QETYVWJHHQUZBE-NJDAHSKKSA-N 0 0 571.210 5.451 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101483277 554784788 /nfs/dbraw/zinc/78/47/88/554784788.db2.gz ZMNPSEVWJBDGSK-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000101483856 554785083 /nfs/dbraw/zinc/78/50/83/554785083.db2.gz RVURBOGPHSVYAN-RBZQAINGSA-N 0 0 517.940 5.298 40 10 KKCBRN O=C1C(=CNCC2CCN(C(=S)Nc3ccccc3)CC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000101535261 554795459 /nfs/dbraw/zinc/79/54/59/554795459.db2.gz KEIWYYBDEXTSEO-UHFFFAOYSA-N 0 0 551.757 5.025 40 10 KKCBRN CCOc1cc(/C=C2/SC(N(C(C)=O)c3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000101602845 554804505 /nfs/dbraw/zinc/80/45/05/554804505.db2.gz HVXKMTNYTZBJTA-WGOQTCKBSA-N 0 0 564.063 5.457 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S)c1ccc(Cl)cc1 ZINC000101744879 554834397 /nfs/dbraw/zinc/83/43/97/554834397.db2.gz YTZXUDPEVWXWMQ-SRZZPIQSSA-N 0 0 549.888 6.772 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000101744719 554834581 /nfs/dbraw/zinc/83/45/81/554834581.db2.gz WNPGVBHBZPXADD-PDGQHHTCSA-N 0 0 555.903 5.836 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000101744890 554834606 /nfs/dbraw/zinc/83/46/06/554834606.db2.gz XQUGEORFTHCIDW-SRZZPIQSSA-N 0 0 549.888 6.772 40 10 KKCBRN CC(NCCSc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000101771077 554837399 /nfs/dbraw/zinc/83/73/99/554837399.db2.gz JGVPXLWVFMBGBX-QJOMJCCJSA-N 0 0 505.068 6.357 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4cccc5ccccc54)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000102129858 554884599 /nfs/dbraw/zinc/88/45/99/554884599.db2.gz YSKOHYCONRRBGS-LMBBUSAASA-N 0 0 603.744 5.597 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000102465094 554935724 /nfs/dbraw/zinc/93/57/24/554935724.db2.gz HOGQXVRPOCCVNS-HACRSSKKSA-N 0 0 590.443 5.177 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102547332 554959956 /nfs/dbraw/zinc/95/99/56/554959956.db2.gz WXCPSTBGKXECPT-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102562211 554968598 /nfs/dbraw/zinc/96/85/98/554968598.db2.gz VBXPNNKFEVZBLA-CEUYOYMZSA-N 0 0 599.639 5.945 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000102585923 554973314 /nfs/dbraw/zinc/97/33/14/554973314.db2.gz ZPUHPKANEMSEBR-FAJBNVMPSA-N 0 0 620.525 6.618 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000102631806 554989657 /nfs/dbraw/zinc/98/96/57/554989657.db2.gz ZFVWXMACRMEQBQ-AHNSQEAUSA-N 0 0 569.727 5.221 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000102769570 555056881 /nfs/dbraw/zinc/05/68/81/555056881.db2.gz JEBRXEOELKQQQU-UQJNUVEPSA-N 0 0 529.453 5.033 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000102866608 555096004 /nfs/dbraw/zinc/09/60/04/555096004.db2.gz TUAFMTOXWOQTQN-FRXPANAUSA-N 0 0 564.468 7.618 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102869694 555099411 /nfs/dbraw/zinc/09/94/11/555099411.db2.gz QWFKXRMSQNCQPN-UODIDJSMSA-N 0 0 564.896 7.695 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000102887716 555119829 /nfs/dbraw/zinc/11/98/29/555119829.db2.gz MUQRUCANDPOVJX-JFHPUIQFSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102893148 555130167 /nfs/dbraw/zinc/13/01/67/555130167.db2.gz YDYHRBAJFZULDI-XWHIBYANSA-N 0 0 589.619 6.168 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102896152 555135793 /nfs/dbraw/zinc/13/57/93/555135793.db2.gz JODDAKYJMIDCKZ-PKTNWEFCSA-N 0 0 552.051 6.726 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000102898262 555138508 /nfs/dbraw/zinc/13/85/08/555138508.db2.gz CJSXBFHBKAQADD-IDZRBWSNSA-N 0 0 582.458 7.757 40 10 KKCBRN Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3/N=N/c3ccc(C)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000102938393 555166657 /nfs/dbraw/zinc/16/66/57/555166657.db2.gz XVKDNLRSMDJVPJ-XAHDOWKMSA-N 0 0 594.697 6.570 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(/N=N/c3ccccc3)C(=Nc3ccccc3S2)N1c1ccccn1 ZINC000102938859 555167446 /nfs/dbraw/zinc/16/74/46/555167446.db2.gz HAJTVDYXEIIDHM-QNEJGDQOSA-N 0 0 525.062 8.135 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000103530441 555430780 /nfs/dbraw/zinc/43/07/80/555430780.db2.gz BKQUUZIYODHVFK-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103534821 555434700 /nfs/dbraw/zinc/43/47/00/555434700.db2.gz KHQDMADGRDSMNN-IDZRBWSNSA-N 0 0 530.023 6.965 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103535160 555435031 /nfs/dbraw/zinc/43/50/31/555435031.db2.gz BHYXAQRVGNKHBF-ULNSLHSMSA-N 0 0 547.632 6.082 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103539802 555437843 /nfs/dbraw/zinc/43/78/43/555437843.db2.gz XGFQQEFJPARAQM-NGDRWEMDSA-N 0 0 556.574 5.920 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103542082 555439128 /nfs/dbraw/zinc/43/91/28/555439128.db2.gz IGJPGVNAHHPVOF-AYQJTBPPSA-N 0 0 570.601 6.310 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103544227 555439634 /nfs/dbraw/zinc/43/96/34/555439634.db2.gz IMPAYYJSVJJYLX-AYQJTBPPSA-N 0 0 560.049 7.055 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103544933 555440085 /nfs/dbraw/zinc/44/00/85/555440085.db2.gz BCKVVYUMHRLUHN-PKTNWEFCSA-N 0 0 552.051 6.726 40 10 KKCBRN Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000103593488 555452959 /nfs/dbraw/zinc/45/29/59/555452959.db2.gz UKJOGUMFNYYTJT-QCRXEWDHSA-N 0 0 524.650 5.020 40 10 KKCBRN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 ZINC000103593338 555453022 /nfs/dbraw/zinc/45/30/22/555453022.db2.gz OJZQCONFQNCXOH-CLRLIWORSA-N 0 0 530.698 5.629 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103593319 555453068 /nfs/dbraw/zinc/45/30/68/555453068.db2.gz PPAMSEPJEYYBFU-XSUKZNSRSA-N 0 0 542.587 5.135 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103759119 555470858 /nfs/dbraw/zinc/47/08/58/555470858.db2.gz CIIJAIJZXSPRAZ-UHFFFAOYSA-N 0 0 625.519 7.545 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103761644 555471708 /nfs/dbraw/zinc/47/17/08/555471708.db2.gz GYUHGMHOHWOWHA-UHFFFAOYSA-N 0 0 588.670 7.043 40 10 KKCBRN Cn1ccnc1Sc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000103761657 555471725 /nfs/dbraw/zinc/47/17/25/555471725.db2.gz RLKMVHZALPRYGU-UHFFFAOYSA-N 0 0 541.614 5.228 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103785134 555477174 /nfs/dbraw/zinc/47/71/74/555477174.db2.gz XQFPRHXQMVHWAO-DJTCXORXSA-N 0 0 568.045 5.137 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790062 555479838 /nfs/dbraw/zinc/47/98/38/555479838.db2.gz ATZQWTOJJCQGEW-XSTKMXAKSA-N 0 0 583.710 5.058 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000103817176 555482653 /nfs/dbraw/zinc/48/26/53/555482653.db2.gz LACQSLWRQZFHNM-FATJQOLTSA-N 0 0 543.692 5.735 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000103854856 571365890 /nfs/dbraw/zinc/36/58/90/571365890.db2.gz LKVSYMZLLFDISR-JVWAILMASA-N 0 0 574.464 6.989 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000103854729 571365930 /nfs/dbraw/zinc/36/59/30/571365930.db2.gz QBPOAMQEBSSJRV-ANYBSYGZSA-N 0 0 568.589 6.728 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855533 571365999 /nfs/dbraw/zinc/36/59/99/571365999.db2.gz PLDVGRSKAYEDPV-CJLVFECKSA-N 0 0 561.819 7.254 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000103855164 571366009 /nfs/dbraw/zinc/36/60/09/571366009.db2.gz VCTNXHARLRXFNL-QLQYKETESA-N 0 0 609.770 8.454 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856283 571366087 /nfs/dbraw/zinc/36/60/87/571366087.db2.gz PJEVCRWDLNSSFP-UHFFFAOYSA-N 0 0 529.843 5.433 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N(C)C1=S ZINC000103856129 571366097 /nfs/dbraw/zinc/36/60/97/571366097.db2.gz SUWGSFLBSCBVLX-UHFFFAOYSA-N 0 0 593.124 5.696 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000103865812 571367970 /nfs/dbraw/zinc/36/79/70/571367970.db2.gz PEOWAGLGKSMNKP-ITYLOYPMSA-N 0 0 556.485 6.605 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000103872049 571368198 /nfs/dbraw/zinc/36/81/98/571368198.db2.gz QHMXOMVRHDWKCX-JCMHNJIXSA-N 0 0 566.477 5.244 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103874471 571368368 /nfs/dbraw/zinc/36/83/68/571368368.db2.gz CBPJCXMTVUJDSN-MTDXEUNCSA-N 0 0 606.748 6.878 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000103922116 571369824 /nfs/dbraw/zinc/36/98/24/571369824.db2.gz HSMZQGYVNBONAT-ONUIUJJFSA-N 0 0 529.984 5.595 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000103921816 571369848 /nfs/dbraw/zinc/36/98/48/571369848.db2.gz UMGUUWGSEKHEKF-SXBRIOAWSA-N 0 0 546.627 6.440 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=Nc3ccccc3N=C(C2N=Nc2cc(Cl)ccc2Cl)N1c1ccccn1 ZINC000103952513 571370454 /nfs/dbraw/zinc/37/04/54/571370454.db2.gz KVVCOECUGLDHHE-XAHDOWKMSA-N 0 0 576.900 8.762 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=Nc3ccccc3N=C(C2N=Nc2cc(Cl)ccc2Cl)N1c1ccccn1 ZINC000103952508 571370494 /nfs/dbraw/zinc/37/04/94/571370494.db2.gz KVVCOECUGLDHHE-KNWKATPGSA-N 0 0 576.900 8.762 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104073946 571372274 /nfs/dbraw/zinc/37/22/74/571372274.db2.gz NEFWJTAFLRBKQT-ANJBIJILSA-N 0 0 572.617 5.518 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(/N=N/c3ccccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1 ZINC000104116385 571374137 /nfs/dbraw/zinc/37/41/37/571374137.db2.gz SOXMZPIOFDVBRC-ULIFNZDWSA-N 0 0 559.507 8.789 40 10 KKCBRN O=C1c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2C(=O)[C@@H]2[C@H]1[C@H](c1ccccc1)c1ccccc1[C@@H]2c1ccccc1 ZINC000104155277 571375581 /nfs/dbraw/zinc/37/55/81/571375581.db2.gz QGZNJDOMXWNBIH-VLPGEBACSA-N 0 0 616.760 10.763 40 10 KKCBRN O=C1c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2C(=O)[C@@H]2[C@H]1[C@@H](c1ccccc1)c1ccccc1[C@@H]2c1ccccc1 ZINC000104155283 571375614 /nfs/dbraw/zinc/37/56/14/571375614.db2.gz QGZNJDOMXWNBIH-GSJVLKJMSA-N 0 0 616.760 10.763 40 10 KKCBRN Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000104288628 571378298 /nfs/dbraw/zinc/37/82/98/571378298.db2.gz INWATODZILKANX-KNWKATPGSA-N 0 0 534.019 8.263 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2-c2ccccc2)cc1 ZINC000104290551 571378371 /nfs/dbraw/zinc/37/83/71/571378371.db2.gz AXRGTLBJYRDFIL-KNWKATPGSA-N 0 0 550.018 7.964 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(COc2ccc(I)cc2I)c1 ZINC000104660636 571384975 /nfs/dbraw/zinc/38/49/75/571384975.db2.gz IKQBZUYMACKYMU-UHFFFAOYSA-N 0 0 616.189 5.229 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646044 571381792 /nfs/dbraw/zinc/38/17/92/571381792.db2.gz BUSALCLRCRJHFO-XXAUWVGASA-N 0 0 539.495 6.702 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104645706 571381830 /nfs/dbraw/zinc/38/18/30/571381830.db2.gz PHSCEOULUIFXAO-NPLMNSEMSA-N 0 0 567.667 7.110 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646700 571381872 /nfs/dbraw/zinc/38/18/72/571381872.db2.gz YVNCOVZYYHKSRJ-GLDPYIMESA-N 0 0 516.406 6.529 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646765 571381889 /nfs/dbraw/zinc/38/18/89/571381889.db2.gz LSNLMHDUCWGJQL-WTNLLYQRSA-N 0 0 588.085 7.455 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646171 571381897 /nfs/dbraw/zinc/38/18/97/571381897.db2.gz PWNZVNIXWZFPFO-CTVOUCONSA-N 0 0 534.678 6.463 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104646325 571381918 /nfs/dbraw/zinc/38/19/18/571381918.db2.gz CLSRPIVYXZTGNU-FVXXUCQHSA-N 0 0 546.614 8.000 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104646286 571381967 /nfs/dbraw/zinc/38/19/67/571381967.db2.gz OQQONJFVVQBSDO-PYYUSEHKSA-N 0 0 538.669 6.998 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104646891 571382093 /nfs/dbraw/zinc/38/20/93/571382093.db2.gz FNHRCJVPFDGUQE-HOOSLVGPSA-N 0 0 550.305 7.383 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647145 571382094 /nfs/dbraw/zinc/38/20/94/571382094.db2.gz GGLNAWGOZHGGJM-XLNZFTOWSA-N 0 0 516.406 6.529 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647113 571382106 /nfs/dbraw/zinc/38/21/06/571382106.db2.gz CCUJSJBVOSGXPO-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104647338 571382124 /nfs/dbraw/zinc/38/21/24/571382124.db2.gz ANLPNMGJRLGJSP-ATLLOTDBSA-N 0 0 580.331 7.392 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104647258 571382133 /nfs/dbraw/zinc/38/21/33/571382133.db2.gz OQEWPTNFEIIOGC-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647495 571382136 /nfs/dbraw/zinc/38/21/36/571382136.db2.gz VGHSNXHGNWIUSR-DFIYOIEZSA-N 0 0 580.331 7.392 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647469 571382163 /nfs/dbraw/zinc/38/21/63/571382163.db2.gz AUSJHAUQYUDLGN-YZUZCNPQSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647384 571382198 /nfs/dbraw/zinc/38/21/98/571382198.db2.gz WDXGGLSEQNDUNI-GLDPYIMESA-N 0 0 540.299 7.928 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647458 571382226 /nfs/dbraw/zinc/38/22/26/571382226.db2.gz ZEUZRZUXARVQNB-GLDPYIMESA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647357 571382235 /nfs/dbraw/zinc/38/22/35/571382235.db2.gz LAMPRPBRXAQKKC-RVFQGNMQSA-N 0 0 594.314 7.112 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647855 571382359 /nfs/dbraw/zinc/38/23/59/571382359.db2.gz JXVRKXXVLSTZTA-DFXHWTJYSA-N 0 0 573.896 6.767 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1Cl ZINC000104647914 571382372 /nfs/dbraw/zinc/38/23/72/571382372.db2.gz WELQAPUAMLJHAX-ATLLOTDBSA-N 0 0 519.881 7.583 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648112 571382435 /nfs/dbraw/zinc/38/24/35/571382435.db2.gz ATCRTNLOORZQEV-GLDPYIMESA-N 0 0 549.412 7.095 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648131 571382457 /nfs/dbraw/zinc/38/24/57/571382457.db2.gz TXCPMJMTICNAQJ-DFIYOIEZSA-N 0 0 590.337 6.848 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648088 571382473 /nfs/dbraw/zinc/38/24/73/571382473.db2.gz WOSICLXMSWBLSX-SGIRGMQISA-N 0 0 539.451 5.863 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648614 571382623 /nfs/dbraw/zinc/38/26/23/571382623.db2.gz JOEVUTZAUICVLL-DXMSMQRWSA-N 0 0 573.851 8.293 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648729 571382642 /nfs/dbraw/zinc/38/26/42/571382642.db2.gz FJCRQIVOHAIVHR-OREGWCPLSA-N 0 0 563.041 7.773 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000104649215 571382850 /nfs/dbraw/zinc/38/28/50/571382850.db2.gz HVEPCKOJTGFMRI-PVTPYKNESA-N 0 0 529.061 7.760 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c(OC)c1 ZINC000104649488 571382962 /nfs/dbraw/zinc/38/29/62/571382962.db2.gz IPHMDMQIYAIVGL-ANSQWYIGSA-N 0 0 530.568 6.350 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c(OC)c1 ZINC000104649436 571382997 /nfs/dbraw/zinc/38/29/97/571382997.db2.gz VKSNIOSPCOVXCV-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649965 571383116 /nfs/dbraw/zinc/38/31/16/571383116.db2.gz NVXDKBMURAOBHB-DDFCPOBKSA-N 0 0 534.678 6.428 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104650203 571383151 /nfs/dbraw/zinc/38/31/51/571383151.db2.gz GSFQAINSKYFMCW-TYPXCFOJSA-N 0 0 521.469 7.774 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649975 571383161 /nfs/dbraw/zinc/38/31/61/571383161.db2.gz CAHWGFLVODSRER-QSOCVKKASA-N 0 0 597.693 7.118 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650434 571383310 /nfs/dbraw/zinc/38/33/10/571383310.db2.gz NGNZGSBZCPFJSH-RHGYRFJNSA-N 0 0 523.844 7.413 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000104655509 571383636 /nfs/dbraw/zinc/38/36/36/571383636.db2.gz OWLMXRAPXIGHJM-ASZNLBCTSA-N 0 0 572.528 5.156 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000104656226 571383881 /nfs/dbraw/zinc/38/38/81/571383881.db2.gz GWQSMVNBOCPLRV-MRWVFDTMSA-N 0 0 610.552 6.628 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000104660499 571384977 /nfs/dbraw/zinc/38/49/77/571384977.db2.gz UEYGDMLOVFYBJS-UHFFFAOYSA-N 0 0 581.213 5.843 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303590 571392792 /nfs/dbraw/zinc/39/27/92/571392792.db2.gz AIFZLTYKQVPGDX-UHFFFAOYSA-N 0 0 535.409 5.007 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303599 571392804 /nfs/dbraw/zinc/39/28/04/571392804.db2.gz XWVRAOASQYCLNQ-UHFFFAOYSA-N 0 0 535.409 5.007 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000222764589 571394594 /nfs/dbraw/zinc/39/45/94/571394594.db2.gz QLJWIRPWUJBIHN-JOCHJYFZSA-N 0 0 519.711 5.436 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000105311885 571396960 /nfs/dbraw/zinc/39/69/60/571396960.db2.gz ZCRACBSIVIONKA-UHFFFAOYSA-N 0 0 569.480 6.776 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000105500736 571406506 /nfs/dbraw/zinc/40/65/06/571406506.db2.gz BQUQFZOGGBDRPO-DMFZDPSVSA-N 0 0 573.718 5.873 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Oc5ccc(Br)cc5)cc4)C(=O)[C@@H]23)cc1 ZINC000105629932 571407930 /nfs/dbraw/zinc/40/79/30/571407930.db2.gz CRWKOHXGSLFECE-PKTNWEFCSA-N 0 0 608.444 6.245 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106680437 571413361 /nfs/dbraw/zinc/41/33/61/571413361.db2.gz DUEOUKFOHDBJSR-XKZIYDEJSA-N 0 0 528.415 6.244 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000106687493 571413848 /nfs/dbraw/zinc/41/38/48/571413848.db2.gz VDRZLQTZJOLHRU-VEILYXNESA-N 0 0 510.615 7.132 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106689560 571413982 /nfs/dbraw/zinc/41/39/82/571413982.db2.gz GOMFQYOXJYCJOW-VYYCAZPPSA-N 0 0 610.544 8.697 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)c2C)cc1 ZINC000106689920 571414002 /nfs/dbraw/zinc/41/40/02/571414002.db2.gz TWQRGFDLZIZNII-QFEZKATASA-N 0 0 557.499 7.594 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106716362 571415545 /nfs/dbraw/zinc/41/55/45/571415545.db2.gz DIIYCVPESSHEHI-MXAYSNPKSA-N 0 0 587.485 6.382 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106732331 571416673 /nfs/dbraw/zinc/41/66/73/571416673.db2.gz LTOGVDAIDGDCMH-XYGWBWBKSA-N 0 0 552.494 5.930 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106743579 571417333 /nfs/dbraw/zinc/41/73/33/571417333.db2.gz ODCNNPFWQSMTRT-FBHDLOMBSA-N 0 0 502.379 6.546 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106757301 571417869 /nfs/dbraw/zinc/41/78/69/571417869.db2.gz RKSOMTAQNCFDQM-ONUIUJJFSA-N 0 0 576.700 6.202 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000108268219 571422891 /nfs/dbraw/zinc/42/28/91/571422891.db2.gz SKRSNCGVDCSXJA-UHFFFAOYSA-N 0 0 551.462 5.995 40 10 KKCBRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000108828669 571426838 /nfs/dbraw/zinc/42/68/38/571426838.db2.gz LAKRZBYTJRWVGK-WOIUINJBSA-N 0 0 557.112 5.842 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC ZINC000109060913 571428297 /nfs/dbraw/zinc/42/82/97/571428297.db2.gz CGICMKBVVPKZQC-UHFFFAOYSA-N 0 0 598.462 5.837 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000109090862 571428474 /nfs/dbraw/zinc/42/84/74/571428474.db2.gz VMDXUZZXAOAMRK-UHFFFAOYSA-N 0 0 570.408 5.057 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000109428840 571429313 /nfs/dbraw/zinc/42/93/13/571429313.db2.gz PMNKACCZACABPC-UUASQNMZSA-N 0 0 552.242 5.674 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100394 571431073 /nfs/dbraw/zinc/43/10/73/571431073.db2.gz LUHXYSDNVMKBDE-FQLXRVMXSA-N 0 0 501.744 6.641 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223103087 571431471 /nfs/dbraw/zinc/43/14/71/571431471.db2.gz ACPGPILKFFFSAT-UIOOFZCWSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223102976 571431491 /nfs/dbraw/zinc/43/14/91/571431491.db2.gz ACPGPILKFFFSAT-FTJBHMTQSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c([N+](=O)[O-])c1 ZINC000223103303 571431565 /nfs/dbraw/zinc/43/15/65/571431565.db2.gz RRDDPQYBFKWJMK-IZZNHLLZSA-N 0 0 505.644 5.711 40 10 KKCBRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000113634985 571442039 /nfs/dbraw/zinc/44/20/39/571442039.db2.gz PFFJOWJLKIPLBI-UHFFFAOYSA-N 0 0 532.493 5.495 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000113830749 571442435 /nfs/dbraw/zinc/44/24/35/571442435.db2.gz BDGBGZYOPBLRBK-XIEYBQDHSA-N 0 0 598.584 7.619 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000113830805 571442437 /nfs/dbraw/zinc/44/24/37/571442437.db2.gz XXUBIVCELVYJFB-FSJBWODESA-N 0 0 532.470 6.995 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113830810 571442439 /nfs/dbraw/zinc/44/24/39/571442439.db2.gz STYWTWCLNUPMPY-LPYMAVHISA-N 0 0 557.447 6.351 40 10 KKCBRN O=C1C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113831885 571442531 /nfs/dbraw/zinc/44/25/31/571442531.db2.gz HDHVXBHRZATXFV-UHFFFAOYSA-N 0 0 531.612 6.577 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833376 571442657 /nfs/dbraw/zinc/44/26/57/571442657.db2.gz DUKRZAXDGDVCQU-WSDLNYQXSA-N 0 0 546.548 6.607 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833985 571442683 /nfs/dbraw/zinc/44/26/83/571442683.db2.gz SWSCKPGHFFZWKH-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000113835579 571442724 /nfs/dbraw/zinc/44/27/24/571442724.db2.gz MXTISEMSYWRUPT-WGOQTCKBSA-N 0 0 576.537 7.904 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1 ZINC000113834263 571442728 /nfs/dbraw/zinc/44/27/28/571442728.db2.gz XHNMZDDMRIQMCR-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189831 571442996 /nfs/dbraw/zinc/44/29/96/571442996.db2.gz NXQNEAFZPARPCH-RRPNLBNLSA-N 0 0 524.134 5.146 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191498 571443149 /nfs/dbraw/zinc/44/31/49/571443149.db2.gz UZPACILQAQQCMU-XRKRLSELSA-N 0 0 517.743 5.055 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000139625442 571453250 /nfs/dbraw/zinc/45/32/50/571453250.db2.gz ZMPVRHWLMXGRAH-CMISJSSVSA-N 0 0 542.502 5.147 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000144217138 571456282 /nfs/dbraw/zinc/45/62/82/571456282.db2.gz UUMLXXYQBJYUEA-ONUIUJJFSA-N 0 0 527.627 7.394 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223307837 571458662 /nfs/dbraw/zinc/45/86/62/571458662.db2.gz GNAAZCGNKCFEDD-GLYQVZKVSA-N 0 0 500.590 5.659 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000223324052 571460499 /nfs/dbraw/zinc/46/04/99/571460499.db2.gz SYAYRVYEBNMIHG-OSWZSTQVSA-N 0 0 503.668 5.641 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2ccc(N(S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2C(=O)c2ccccc2)cc1 ZINC000150346811 571460655 /nfs/dbraw/zinc/46/06/55/571460655.db2.gz AZWLYJJVVKYLRF-UHFFFAOYSA-N 0 0 674.822 6.228 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000223346608 571463803 /nfs/dbraw/zinc/46/38/03/571463803.db2.gz JHWVDUIQBAGBPF-ZEQRLZLVSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c([N+](=O)[O-])c1 ZINC000223351632 571464539 /nfs/dbraw/zinc/46/45/39/571464539.db2.gz ORDZXHDFUHUUKO-RPBOFIJWSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223352721 571464586 /nfs/dbraw/zinc/46/45/86/571464586.db2.gz IMMWYOBRFLKYDP-DQEYMECFSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223352676 571464591 /nfs/dbraw/zinc/46/45/91/571464591.db2.gz IMMWYOBRFLKYDP-LOSJGSFVSA-N 0 0 503.584 5.172 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000150369299 571465490 /nfs/dbraw/zinc/46/54/90/571465490.db2.gz WXNMKYSBRBFNKK-ZMOGYAJESA-N 0 0 645.825 9.003 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223371328 571466979 /nfs/dbraw/zinc/46/69/79/571466979.db2.gz JWWSIJYUKQAILW-CLJLJLNGSA-N 0 0 506.597 6.681 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000150385387 571468781 /nfs/dbraw/zinc/46/87/81/571468781.db2.gz VWLFXWYCFSILKP-ZVHZXABRSA-N 0 0 656.377 8.258 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223382852 571468841 /nfs/dbraw/zinc/46/88/41/571468841.db2.gz PHBFDUMJCZUTJL-FTJBHMTQSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000223385401 571469373 /nfs/dbraw/zinc/46/93/73/571469373.db2.gz FFLLONFDMLJHDC-IZZNHLLZSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223388293 571469801 /nfs/dbraw/zinc/46/98/01/571469801.db2.gz FOYAKFPRTJYTML-UIOOFZCWSA-N 0 0 507.490 6.969 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000150387952 571470486 /nfs/dbraw/zinc/47/04/86/571470486.db2.gz VPUWMPJHOPSAPQ-ZMOGYAJESA-N 0 0 623.421 8.756 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000150389532 571471880 /nfs/dbraw/zinc/47/18/80/571471880.db2.gz GOAPSCRYZURUPW-MKMNVTDBSA-N 0 0 624.219 5.218 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223418375 571473745 /nfs/dbraw/zinc/47/37/45/571473745.db2.gz QDSBAGISEBGTHM-IOWSJCHKSA-N 0 0 518.686 6.824 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223421083 571474074 /nfs/dbraw/zinc/47/40/74/571474074.db2.gz IJWCHPRHNUZILO-SXOMAYOGSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223424133 571474568 /nfs/dbraw/zinc/47/45/68/571474568.db2.gz RVPQQAMOGFXDMD-FQLXRVMXSA-N 0 0 511.695 5.736 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223427296 571474937 /nfs/dbraw/zinc/47/49/37/571474937.db2.gz LCCMGAASTOIIPW-IZLXSDGUSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223427755 571475068 /nfs/dbraw/zinc/47/50/68/571475068.db2.gz QRUCERZVJVECEG-NSOVKSMOSA-N 0 0 533.097 6.332 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223428293 571475104 /nfs/dbraw/zinc/47/51/04/571475104.db2.gz NJCNRFLGMVAYRO-PQHLKRTFSA-N 0 0 510.707 6.541 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2c(I)cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000150397606 571476866 /nfs/dbraw/zinc/47/68/66/571476866.db2.gz FJOHCQDFYBHBKZ-XHLNEMQHSA-N 0 0 703.664 8.118 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CN(C)CN3C(=O)/C(=C/c4ccc(N(CC)CC)cc4)SC3=S)C2=O)cc1 ZINC000150398747 571477389 /nfs/dbraw/zinc/47/73/89/571477389.db2.gz GNTHFBHCADCDFM-SZNZDIFOSA-N 0 0 639.938 6.328 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223444973 571477697 /nfs/dbraw/zinc/47/76/97/571477697.db2.gz JZDFJTGJCOOBNS-VSGBNLITSA-N 0 0 526.662 5.457 40 10 KKCBRN CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(C)Cc3ccccc3)C2=O)SC1=S ZINC000150405689 571479329 /nfs/dbraw/zinc/47/93/29/571479329.db2.gz YZHUBYOZPZQGGY-QVIHXGFCSA-N 0 0 696.986 6.357 40 10 KKCBRN NC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4sc5c(c4C(N)=O)CCCC5)C3=O)SC2=S)sc2c1CCCC2 ZINC000150405959 571479402 /nfs/dbraw/zinc/47/94/02/571479402.db2.gz CCIRGAATFQILBK-BYYHNAKLSA-N 0 0 847.170 6.395 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Br ZINC000223461115 571480068 /nfs/dbraw/zinc/48/00/68/571480068.db2.gz UWUSSHCWHCKSHE-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Br)c1 ZINC000223461406 571480100 /nfs/dbraw/zinc/48/01/00/571480100.db2.gz GJJCASXUHIFZRN-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224121238 571480337 /nfs/dbraw/zinc/48/03/37/571480337.db2.gz RPEBLUQOYCRKJG-UMDBZIIZSA-N 0 0 571.194 7.197 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(CCNC(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)c1 ZINC000150408764 571481008 /nfs/dbraw/zinc/48/10/08/571481008.db2.gz NPRNINSCNHTKPA-UNVYMFJTSA-N 0 0 816.891 5.381 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467242 571481560 /nfs/dbraw/zinc/48/15/60/571481560.db2.gz FSEAHYSGLKGUIV-FTJBHMTQSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224127911 571481789 /nfs/dbraw/zinc/48/17/89/571481789.db2.gz UYUKTLOOAJYRAD-RUIKBKNUSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224127967 571481798 /nfs/dbraw/zinc/48/17/98/571481798.db2.gz GRNXKFBMLKYBIE-GSYQMTENSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224127825 571481804 /nfs/dbraw/zinc/48/18/04/571481804.db2.gz UYUKTLOOAJYRAD-KKZQLBJISA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224127710 571481891 /nfs/dbraw/zinc/48/18/91/571481891.db2.gz IDELWIIDLWQHFM-RZKSXRECSA-N 0 0 584.233 8.110 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224128580 571481998 /nfs/dbraw/zinc/48/19/98/571481998.db2.gz JHGWCQNTYKRIGY-WADAGNOZSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224129371 571482394 /nfs/dbraw/zinc/48/23/94/571482394.db2.gz BFLBQNPYUAUWAY-CKUCSLQLSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224130650 571482555 /nfs/dbraw/zinc/48/25/55/571482555.db2.gz CTRLHHSOFRMSMV-BAVULBIOSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224130442 571482594 /nfs/dbraw/zinc/48/25/94/571482594.db2.gz IUKPIKVTZYFSDC-BAVULBIOSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224133003 571483103 /nfs/dbraw/zinc/48/31/03/571483103.db2.gz UPIMPNZCVYCGPQ-WFHUPMPSSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224134268 571483302 /nfs/dbraw/zinc/48/33/02/571483302.db2.gz QWIUANXHIXVRDZ-QYDQVORMSA-N 0 0 612.287 8.727 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135466 571483563 /nfs/dbraw/zinc/48/35/63/571483563.db2.gz NIPLOHOYPJETKD-ZZBMHTCRSA-N 0 0 634.677 8.464 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135435 571483635 /nfs/dbraw/zinc/48/36/35/571483635.db2.gz NIPLOHOYPJETKD-DRHZDZKSSA-N 0 0 634.677 8.464 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224136111 571483782 /nfs/dbraw/zinc/48/37/82/571483782.db2.gz KGCPQDZDUYFZHS-ITLLMBSPSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000224147957 571486307 /nfs/dbraw/zinc/48/63/07/571486307.db2.gz YCDCWVFOFKBFNT-MMXHUUHVSA-N 0 0 556.179 7.494 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224149204 571486496 /nfs/dbraw/zinc/48/64/96/571486496.db2.gz YDGOORLZDKRUAH-HYEYWOLSSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Br)cc1 ZINC000223497861 571487286 /nfs/dbraw/zinc/48/72/86/571487286.db2.gz RLJHCXYIVSAYND-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCC ZINC000150421731 571487836 /nfs/dbraw/zinc/48/78/36/571487836.db2.gz XWJBEXYVWXGXFA-KOEQRZSOSA-N 0 0 646.481 7.134 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150422158 571488038 /nfs/dbraw/zinc/48/80/38/571488038.db2.gz URIYICBCQPAKSE-VUTHCHCSSA-N 0 0 742.997 8.967 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150422974 571488695 /nfs/dbraw/zinc/48/86/95/571488695.db2.gz ZGNIAWARHIJGPN-NDZAJKAJSA-N 0 0 753.549 8.222 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150424748 571489330 /nfs/dbraw/zinc/48/93/30/571489330.db2.gz AQYAPXKDZPQKAG-NDZAJKAJSA-N 0 0 740.448 9.234 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)SC1=S)Nc1cccc(Cl)c1Cl ZINC000150426168 571490385 /nfs/dbraw/zinc/49/03/85/571490385.db2.gz DHMDPAHEUVFUHM-QURGRASLSA-N 0 0 722.550 7.370 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000150427967 571492004 /nfs/dbraw/zinc/49/20/04/571492004.db2.gz FHTPAUXVMRUJNU-GSTVVXAASA-N 0 0 669.588 6.339 40 10 KKCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223519852 571492567 /nfs/dbraw/zinc/49/25/67/571492567.db2.gz AFALCYRGSKXEOB-QFEZKATASA-N 0 0 503.668 6.389 40 10 KKCBRN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(C)cc4)C3=O)SC2=S)cc1 ZINC000150431280 571493451 /nfs/dbraw/zinc/49/34/51/571493451.db2.gz RLRAVMIHVXJJQE-BYYHNAKLSA-N 0 0 668.932 6.934 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000224203615 571495950 /nfs/dbraw/zinc/49/59/50/571495950.db2.gz VYOCEHIJWHVSEC-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224207655 571496961 /nfs/dbraw/zinc/49/69/61/571496961.db2.gz DXHDPANVQHPNNK-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208452 571497158 /nfs/dbraw/zinc/49/71/58/571497158.db2.gz CZTTVXXPZUKZKK-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Br ZINC000223536711 571497235 /nfs/dbraw/zinc/49/72/35/571497235.db2.gz NKUKURMMWZLHLR-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)NCCNC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000150439682 571497348 /nfs/dbraw/zinc/49/73/48/571497348.db2.gz LQGWWRPXXNCJPQ-IINORCHSSA-N 0 0 748.588 6.415 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223539830 571498009 /nfs/dbraw/zinc/49/80/09/571498009.db2.gz MZOZDLMQXPJIPJ-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1OC ZINC000150443057 571499175 /nfs/dbraw/zinc/49/91/75/571499175.db2.gz RZIQCXMUIPXRCL-NVMNQCDNSA-N 0 0 679.250 6.611 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S)Nc1cccc(Cl)c1 ZINC000150444617 571499752 /nfs/dbraw/zinc/49/97/52/571499752.db2.gz QVFUXQWLTUAKFV-FMQUCBEESA-N 0 0 625.606 5.283 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000150444732 571499986 /nfs/dbraw/zinc/49/99/86/571499986.db2.gz RNEFRSQRIFIEGZ-FMQUCBEESA-N 0 0 694.496 6.590 40 10 KKCBRN O=C(C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S)Nc1ccc(Cl)cc1 ZINC000150445497 571500702 /nfs/dbraw/zinc/50/07/02/571500702.db2.gz LNETUYYDVNOIAD-IGIMDHNISA-N 0 0 691.445 8.798 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000150447693 571501519 /nfs/dbraw/zinc/50/15/19/571501519.db2.gz PJRHOQURGVUDPT-JEUVFDQPSA-N 0 0 721.996 5.000 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223567765 571503622 /nfs/dbraw/zinc/50/36/22/571503622.db2.gz CVYZDRPRGLFUTB-QETRNLNESA-N 0 0 521.683 6.261 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224238209 571504065 /nfs/dbraw/zinc/50/40/65/571504065.db2.gz AJIOHEAPURXVLQ-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000150454828 571504118 /nfs/dbraw/zinc/50/41/18/571504118.db2.gz WYFHUBCFEZAVLO-RPDYKPSSSA-N 0 0 648.720 7.348 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240759 571504506 /nfs/dbraw/zinc/50/45/06/571504506.db2.gz XTUZKSAGBVVMOG-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Cl)C2=O)SC1=S)Nc1ccccc1Cl ZINC000150462897 571506978 /nfs/dbraw/zinc/50/69/78/571506978.db2.gz KUWOQJDPGQRWKZ-OCEACIFDSA-N 0 0 709.768 7.624 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224257943 571508043 /nfs/dbraw/zinc/50/80/43/571508043.db2.gz WYIIOBHPMZONDW-FIRIVFDPSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(C)c(C)c4)C3=O)SC2=S)cc1C ZINC000150469581 571508715 /nfs/dbraw/zinc/50/87/15/571508715.db2.gz IWIWYQBHTUJHHI-OCEACIFDSA-N 0 0 640.878 5.990 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000150469992 571509225 /nfs/dbraw/zinc/50/92/25/571509225.db2.gz ULKUOGKUKAXDSF-OCEACIFDSA-N 0 0 847.548 10.237 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224265253 571509654 /nfs/dbraw/zinc/50/96/54/571509654.db2.gz YFDPZAHAPSFXDX-FIRIVFDPSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224268876 571510358 /nfs/dbraw/zinc/51/03/58/571510358.db2.gz ATNHUZSDXURSQD-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224272958 571511182 /nfs/dbraw/zinc/51/11/82/571511182.db2.gz CKPAWFLBHGZIFG-NSOVKSMOSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150477536 571511308 /nfs/dbraw/zinc/51/13/08/571511308.db2.gz KLHUVLYJMQHTKD-RDRPBHBLSA-N 0 0 773.421 8.686 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000150481020 571512309 /nfs/dbraw/zinc/51/23/09/571512309.db2.gz KZOZPUKBBKGJRW-MTDXEUNCSA-N 0 0 681.970 8.735 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150481167 571512423 /nfs/dbraw/zinc/51/24/23/571512423.db2.gz PIHMYAXJFPKYGA-RDRPBHBLSA-N 0 0 739.522 7.832 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481147 571512462 /nfs/dbraw/zinc/51/24/62/571512462.db2.gz KSKWQAKBKGNCML-LQKURTRISA-N 0 0 763.415 9.231 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224286258 571513616 /nfs/dbraw/zinc/51/36/16/571513616.db2.gz XTBUJFYLIJORHM-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224286316 571513649 /nfs/dbraw/zinc/51/36/49/571513649.db2.gz LMQXDOPFGUYRRI-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224286169 571513653 /nfs/dbraw/zinc/51/36/53/571513653.db2.gz XTBUJFYLIJORHM-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224290313 571514411 /nfs/dbraw/zinc/51/44/11/571514411.db2.gz SGBSIPUQGQZNTA-SXOMAYOGSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223615926 571514501 /nfs/dbraw/zinc/51/45/01/571514501.db2.gz BDYCWFPLRLPOHC-DNNAEVNTSA-N 0 0 509.647 6.310 40 10 KKCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223615755 571514504 /nfs/dbraw/zinc/51/45/04/571514504.db2.gz XNRBDVOWGZVNIM-FQOPDIHJSA-N 0 0 505.684 6.479 40 10 KKCBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224291605 571514726 /nfs/dbraw/zinc/51/47/26/571514726.db2.gz DHLBLBRDANVQAI-SXOMAYOGSA-N 0 0 503.115 7.161 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000150492760 571517375 /nfs/dbraw/zinc/51/73/75/571517375.db2.gz YNHPKUFHCYNRHE-PLMBTIQCSA-N 0 0 695.623 5.906 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224306511 571518414 /nfs/dbraw/zinc/51/84/14/571518414.db2.gz KSKHSBJMRDYCED-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224306683 571518586 /nfs/dbraw/zinc/51/85/86/571518586.db2.gz GMAMEZPHUCLKQW-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(Br)c(OCC(=O)NCc2ccccc2)c(OC)c1 ZINC000150524267 571520329 /nfs/dbraw/zinc/52/03/29/571520329.db2.gz ZGHBXQNUKJRGLO-PCLIKHOPSA-N 0 0 634.527 5.916 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223656439 571521664 /nfs/dbraw/zinc/52/16/64/571521664.db2.gz CFPTWTHQFYSOCA-DHIUTWEWSA-N 0 0 503.455 5.332 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150578702 571521660 /nfs/dbraw/zinc/52/16/60/571521660.db2.gz BFPGHEJYQMJQJX-LAUBZIAYSA-N 0 0 632.580 5.206 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000224333324 571524022 /nfs/dbraw/zinc/52/40/22/571524022.db2.gz WSUSQBYYXOENOS-IOWSJCHKSA-N 0 0 502.687 7.382 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000224338797 571525443 /nfs/dbraw/zinc/52/54/43/571525443.db2.gz AJPJLECVDPJLHF-KAYWLYCHSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000224340586 571525838 /nfs/dbraw/zinc/52/58/38/571525838.db2.gz WDVVMDFLWFMBMF-NSOVKSMOSA-N 0 0 501.099 7.190 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000224340145 571525888 /nfs/dbraw/zinc/52/58/88/571525888.db2.gz HSPUGRGXFRWMTL-VSGBNLITSA-N 0 0 501.099 7.190 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000224341229 571525955 /nfs/dbraw/zinc/52/59/55/571525955.db2.gz UJRJIDOCRKUQTQ-WUFINQPMSA-N 0 0 527.650 6.145 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223687480 571526917 /nfs/dbraw/zinc/52/69/17/571526917.db2.gz WDPVVWAVUJGLQX-PKTZIBPZSA-N 0 0 502.562 5.044 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000150657627 571527175 /nfs/dbraw/zinc/52/71/75/571527175.db2.gz BKRVQIIHAFWDFT-ZONZVBGPSA-N 0 0 628.862 6.590 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N3N=C4/C(=C\c5ccc(OC)cc5)CCC[C@@H]4[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000150683672 571529018 /nfs/dbraw/zinc/52/90/18/571529018.db2.gz MWOAEBXAHIEWJU-RYEKTYQXSA-N 0 0 697.835 6.280 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224367788 571531254 /nfs/dbraw/zinc/53/12/54/571531254.db2.gz PTTMAIJFTLKMAA-VSGBNLITSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224368074 571531389 /nfs/dbraw/zinc/53/13/89/571531389.db2.gz FRHDSFGZFMZAKJ-WUFINQPMSA-N 0 0 501.099 7.443 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373201 571532625 /nfs/dbraw/zinc/53/26/25/571532625.db2.gz QYRTZUJQXFFYGO-WDYNHAJCSA-N 0 0 541.677 6.706 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223723387 571532915 /nfs/dbraw/zinc/53/29/15/571532915.db2.gz WQNYIJLGZBKFSN-ZEQRLZLVSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223725813 571533392 /nfs/dbraw/zinc/53/33/92/571533392.db2.gz LYXVMLYFIMVJIC-ZEQRLZLVSA-N 0 0 517.482 5.722 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000223728370 571534020 /nfs/dbraw/zinc/53/40/20/571534020.db2.gz DPIZFUDHJFXUQU-LOSJGSFVSA-N 0 0 513.063 5.077 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163282325 571534698 /nfs/dbraw/zinc/53/46/98/571534698.db2.gz DKXFKJFYHMRFDD-ZPMAPHDVSA-N 0 0 652.614 6.506 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nnc(-c4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000163439641 571535352 /nfs/dbraw/zinc/53/53/52/571535352.db2.gz ZPJHOITXCDWWQG-UHFFFAOYSA-N 0 0 680.771 7.742 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224385849 571535428 /nfs/dbraw/zinc/53/54/28/571535428.db2.gz KLIKLTJPRIGEEY-URLMMPGGSA-N 0 0 524.690 6.576 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224389770 571536080 /nfs/dbraw/zinc/53/60/80/571536080.db2.gz DCURVPQAQRHMEO-RPBOFIJWSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224389987 571536132 /nfs/dbraw/zinc/53/61/32/571536132.db2.gz OHXVMVWENTUSHN-URLMMPGGSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224398484 571537516 /nfs/dbraw/zinc/53/75/16/571537516.db2.gz XENBZVRSCMSXBE-JWQCQUIFSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000224400405 571537923 /nfs/dbraw/zinc/53/79/23/571537923.db2.gz KZLTXHDQLTXJPM-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402351 571538325 /nfs/dbraw/zinc/53/83/25/571538325.db2.gz ILPYHTPTCQKIHZ-FQLXRVMXSA-N 0 0 513.686 6.652 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224402884 571538548 /nfs/dbraw/zinc/53/85/48/571538548.db2.gz KLYVVQJTDYVMCV-DQEYMECFSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224404300 571538829 /nfs/dbraw/zinc/53/88/29/571538829.db2.gz JHMPDWLJLVXHDK-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224404535 571538902 /nfs/dbraw/zinc/53/89/02/571538902.db2.gz LDTJJBAXFPVISP-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223757923 571539268 /nfs/dbraw/zinc/53/92/68/571539268.db2.gz BHMMYETZKQCHNA-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763066 571539938 /nfs/dbraw/zinc/53/99/38/571539938.db2.gz ULHBZEPINZQVSJ-LOYHVIPDSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223765796 571540485 /nfs/dbraw/zinc/54/04/85/571540485.db2.gz WFNLXXRWMFTOSX-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223766271 571540610 /nfs/dbraw/zinc/54/06/10/571540610.db2.gz ACKIGKIPAXOHRR-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223766932 571540784 /nfs/dbraw/zinc/54/07/84/571540784.db2.gz QXBQFCGFMFKGIE-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163713052 571541271 /nfs/dbraw/zinc/54/12/71/571541271.db2.gz RZDGKVOBJJLWSE-ZGOFBEGVSA-N 0 0 669.610 5.532 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(COc4ccc(I)cc4I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163721515 571541658 /nfs/dbraw/zinc/54/16/58/571541658.db2.gz FENCPWZCQXYMFU-YVBHXKDBSA-N 0 0 805.476 5.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163718821 571541665 /nfs/dbraw/zinc/54/16/65/571541665.db2.gz ATVSFUKXWAMWOO-ACHQHTMYSA-N 0 0 712.666 6.368 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163718584 571541667 /nfs/dbraw/zinc/54/16/67/571541667.db2.gz UGACZUNTAQTDOO-ZJTZAHLKSA-N 0 0 738.573 5.244 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(I)cc4I)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163721386 571541684 /nfs/dbraw/zinc/54/16/84/571541684.db2.gz VWJFXTBUNMOPHQ-VPHSIRQSSA-N 0 0 805.476 5.653 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224417342 571541788 /nfs/dbraw/zinc/54/17/88/571541788.db2.gz DYGRVUHCNJKNDS-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163725124 571541898 /nfs/dbraw/zinc/54/18/98/571541898.db2.gz AFZXKNFMEGMZRQ-WMOUMNHDSA-N 0 0 664.831 6.989 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163739621 571542389 /nfs/dbraw/zinc/54/23/89/571542389.db2.gz LUPFBYNPCBYVHU-IZBTWGKQSA-N 0 0 654.925 6.708 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163745306 571542462 /nfs/dbraw/zinc/54/24/62/571542462.db2.gz OMWVDSRVWSMNNN-QZROFMJUSA-N 0 0 653.804 7.035 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000164193428 571544853 /nfs/dbraw/zinc/54/48/53/571544853.db2.gz CPVHHMDFJOXZJR-IVNSTHILSA-N 0 0 661.824 6.670 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224435839 571545490 /nfs/dbraw/zinc/54/54/90/571545490.db2.gz GVBUCJGJFBDKRI-JWQCQUIFSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000224437605 571545809 /nfs/dbraw/zinc/54/58/09/571545809.db2.gz YWCUVNMHMMYVTJ-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438359 571545930 /nfs/dbraw/zinc/54/59/30/571545930.db2.gz BCLSWHFZGUQBSR-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438186 571545957 /nfs/dbraw/zinc/54/59/57/571545957.db2.gz QLCBVNYYAVUGKS-FTJBHMTQSA-N 0 0 507.034 6.467 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223798255 571546037 /nfs/dbraw/zinc/54/60/37/571546037.db2.gz UHEGJIYHFJSHQU-SVBPBHIXSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223801460 571546630 /nfs/dbraw/zinc/54/66/30/571546630.db2.gz NAOJZJVDKOAUJV-FQLXRVMXSA-N 0 0 511.695 6.131 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000223801586 571546639 /nfs/dbraw/zinc/54/66/39/571546639.db2.gz NCMSNUOKZSMPJA-JSOSNVBQSA-N 0 0 539.749 6.911 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223801828 571546644 /nfs/dbraw/zinc/54/66/44/571546644.db2.gz VZCIHNVEZDQWSX-SXOMAYOGSA-N 0 0 537.516 7.372 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(Oc6ccccc6)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164477756 571548797 /nfs/dbraw/zinc/54/87/97/571548797.db2.gz WTCBJKPZHRYNTE-YTFBDJPQSA-N 0 0 645.737 8.593 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224454831 571549763 /nfs/dbraw/zinc/54/97/63/571549763.db2.gz MXJAETNFVOGCGK-LOSJGSFVSA-N 0 0 527.015 7.338 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)c(OCc2ccccc2)c1 ZINC000164571855 571550176 /nfs/dbraw/zinc/55/01/76/571550176.db2.gz NHOHTFAKFGXAQS-NHJYWPGGSA-N 0 0 686.878 6.925 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000164802542 571551081 /nfs/dbraw/zinc/55/10/81/571551081.db2.gz INURRTVYWXYOCO-UHFFFAOYSA-N 0 0 655.614 8.100 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000164790894 571551101 /nfs/dbraw/zinc/55/11/01/571551101.db2.gz NBRMBMHSKLDICG-UHFFFAOYSA-N 0 0 658.492 7.079 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164803189 571551118 /nfs/dbraw/zinc/55/11/18/571551118.db2.gz UWUWRDIPEAMLEZ-UHFFFAOYSA-N 0 0 767.483 8.397 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000164802028 571551142 /nfs/dbraw/zinc/55/11/42/571551142.db2.gz ADIQCSLZPWWZOE-UHFFFAOYSA-N 0 0 641.587 7.792 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000164802407 571551143 /nfs/dbraw/zinc/55/11/43/571551143.db2.gz QNMFIFIKDBINJU-UHFFFAOYSA-N 0 0 688.587 7.552 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164807996 571551276 /nfs/dbraw/zinc/55/12/76/571551276.db2.gz XWUKFPYQGBUXEA-UHFFFAOYSA-N 0 0 656.489 7.145 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164809104 571551299 /nfs/dbraw/zinc/55/12/99/571551299.db2.gz YYBVYRRDSMKFQK-UHFFFAOYSA-N 0 0 733.584 7.542 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224466720 571552545 /nfs/dbraw/zinc/55/25/45/571552545.db2.gz ZQGALMHYPJGZRQ-KAYWLYCHSA-N 0 0 502.087 6.386 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470145 571553423 /nfs/dbraw/zinc/55/34/23/571553423.db2.gz DIEOTKWIONABRQ-IZZNHLLZSA-N 0 0 534.041 6.236 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1 ZINC000224481432 571556145 /nfs/dbraw/zinc/55/61/45/571556145.db2.gz PEYCEJFXESWJNC-FTJBHMTQSA-N 0 0 517.054 6.106 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1 ZINC000224481389 571556207 /nfs/dbraw/zinc/55/62/07/571556207.db2.gz PEYCEJFXESWJNC-CLJLJLNGSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223823938 571556660 /nfs/dbraw/zinc/55/66/60/571556660.db2.gz MLLIYNLRWRZOQD-WUFINQPMSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000223824239 571556795 /nfs/dbraw/zinc/55/67/95/571556795.db2.gz HZDQYDLUJHDXNW-PQHLKRTFSA-N 0 0 510.707 6.936 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000169680820 571556960 /nfs/dbraw/zinc/55/69/60/571556960.db2.gz NPUGASPDXRYGGI-ZONZVBGPSA-N 0 0 533.967 5.702 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224485274 571557131 /nfs/dbraw/zinc/55/71/31/571557131.db2.gz OULIMURSTVLGLL-DQEYMECFSA-N 0 0 571.466 7.448 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccn1 ZINC000224487662 571557995 /nfs/dbraw/zinc/55/79/95/571557995.db2.gz AMOMBUAJHMLVGW-RPWUZVMVSA-N 0 0 504.457 5.824 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000169689803 571558453 /nfs/dbraw/zinc/55/84/53/571558453.db2.gz IYQTVQXGMVBYEC-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000223839738 571559601 /nfs/dbraw/zinc/55/96/01/571559601.db2.gz XJFKVVIMXZPWKN-NSOVKSMOSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1 ZINC000224494229 571559730 /nfs/dbraw/zinc/55/97/30/571559730.db2.gz ZWVILSQYCXXQRV-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000223839907 571559765 /nfs/dbraw/zinc/55/97/65/571559765.db2.gz XJFKVVIMXZPWKN-VSGBNLITSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(F)c1 ZINC000224495338 571559994 /nfs/dbraw/zinc/55/99/94/571559994.db2.gz VIXLCGSWTXDFKU-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224497168 571560425 /nfs/dbraw/zinc/56/04/25/571560425.db2.gz KXZGRHRKJQYZCQ-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223845237 571560518 /nfs/dbraw/zinc/56/05/18/571560518.db2.gz RILOOQFOXJAEPU-LOSJGSFVSA-N 0 0 508.569 6.391 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224497599 571560567 /nfs/dbraw/zinc/56/05/67/571560567.db2.gz XOXRYPOAHGVXRI-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1C ZINC000224499232 571561159 /nfs/dbraw/zinc/56/11/59/571561159.db2.gz OLZLONYJVAXRQG-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224501244 571561558 /nfs/dbraw/zinc/56/15/58/571561558.db2.gz AFESRQKWUGWPMY-CLJLJLNGSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ncccc1C ZINC000224502830 571562021 /nfs/dbraw/zinc/56/20/21/571562021.db2.gz RZKZGZMFJFDXGH-ZEQRLZLVSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223856271 571562549 /nfs/dbraw/zinc/56/25/49/571562549.db2.gz UCGOKLZOBSROCB-DQEYMECFSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223858719 571563011 /nfs/dbraw/zinc/56/30/11/571563011.db2.gz RHSNGVKXQCSRLF-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223859029 571563170 /nfs/dbraw/zinc/56/31/70/571563170.db2.gz OTKDQCZKAYBDMP-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223861247 571563516 /nfs/dbraw/zinc/56/35/16/571563516.db2.gz KBZLFXDPZVTZQE-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224515608 571564259 /nfs/dbraw/zinc/56/42/59/571564259.db2.gz UKRVKKGDBTWBPK-UIOOFZCWSA-N 0 0 561.505 6.215 40 10 KKCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224514676 571564296 /nfs/dbraw/zinc/56/42/96/571564296.db2.gz OQRIHBZCBASUER-UHFFFAOYSA-N 0 0 502.655 5.933 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224516030 571564441 /nfs/dbraw/zinc/56/44/41/571564441.db2.gz QRWSVMJOAXQSDQ-UIOOFZCWSA-N 0 0 561.505 6.215 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223884863 571567958 /nfs/dbraw/zinc/56/79/58/571567958.db2.gz QZDLDCBLWGEWLF-SVBPBHIXSA-N 0 0 535.639 6.751 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534619 571568497 /nfs/dbraw/zinc/56/84/97/571568497.db2.gz CRVQNCLLEMXMJZ-IHLOFXLRSA-N 0 0 525.722 6.521 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224535039 571568576 /nfs/dbraw/zinc/56/85/76/571568576.db2.gz AKNZHZODCQZUGB-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223889932 571568922 /nfs/dbraw/zinc/56/89/22/571568922.db2.gz VXLMGIMARZTRFR-SXOMAYOGSA-N 0 0 518.086 6.091 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000224535930 571568947 /nfs/dbraw/zinc/56/89/47/571568947.db2.gz ZHELDVLSLLYQLA-GDLZYMKVSA-N 0 0 565.736 5.112 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224536440 571568958 /nfs/dbraw/zinc/56/89/58/571568958.db2.gz YBHDAYXYKJCPAS-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224537209 571569213 /nfs/dbraw/zinc/56/92/13/571569213.db2.gz MHEQHHONGWYBHH-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224537632 571569348 /nfs/dbraw/zinc/56/93/48/571569348.db2.gz XTOHHGDUEYJKJE-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223894468 571569751 /nfs/dbraw/zinc/56/97/51/571569751.db2.gz WTRZYWMFVVTBHU-SXOMAYOGSA-N 0 0 535.639 6.751 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000205677107 571569944 /nfs/dbraw/zinc/56/99/44/571569944.db2.gz PKASVBULHGBAMO-SSDVNMTOSA-N 0 0 537.465 6.018 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000223896044 571570062 /nfs/dbraw/zinc/57/00/62/571570062.db2.gz ZDFQSPJNFNOIJG-SVBPBHIXSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223897020 571570294 /nfs/dbraw/zinc/57/02/94/571570294.db2.gz XJXNFKNCVHOQHF-SVBPBHIXSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223901227 571571211 /nfs/dbraw/zinc/57/12/11/571571211.db2.gz RBETXTDARLPFGV-VSGBNLITSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223901689 571571291 /nfs/dbraw/zinc/57/12/91/571571291.db2.gz NMFUENKYSKNOSV-VSGBNLITSA-N 0 0 542.665 5.649 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223901520 571571353 /nfs/dbraw/zinc/57/13/53/571571353.db2.gz JKZNUFUOAXROPD-IZLXSDGUSA-N 0 0 542.665 5.649 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223901967 571571382 /nfs/dbraw/zinc/57/13/82/571571382.db2.gz NBMWFGQQBHKEEX-IZLXSDGUSA-N 0 0 516.114 6.694 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C ZINC000224551425 571572645 /nfs/dbraw/zinc/57/26/45/571572645.db2.gz HCXBUQTVNIVKNG-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000206883140 571573034 /nfs/dbraw/zinc/57/30/34/571573034.db2.gz NFSZPJYRUGKJHX-HMAPJEAMSA-N 0 0 555.475 5.583 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000206910880 571573054 /nfs/dbraw/zinc/57/30/54/571573054.db2.gz NASUKOCPOVDKMK-FSJBWODESA-N 0 0 593.941 7.171 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000206884736 571573057 /nfs/dbraw/zinc/57/30/57/571573057.db2.gz FJSNYCHGNAHMND-HYARGMPZSA-N 0 0 603.947 6.626 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000207499093 571573234 /nfs/dbraw/zinc/57/32/34/571573234.db2.gz HDIPLJFYRQXIHM-HRIDGTDGSA-N 0 0 539.701 5.131 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000208256158 571573695 /nfs/dbraw/zinc/57/36/95/571573695.db2.gz SMQKVUKXRSOIHS-LKEIMFIWSA-N 0 0 518.466 6.390 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000224557190 571573815 /nfs/dbraw/zinc/57/38/15/571573815.db2.gz RUDVJIXPFYWNIY-FTJBHMTQSA-N 0 0 505.087 6.552 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21 ZINC000208470617 571574468 /nfs/dbraw/zinc/57/44/68/571574468.db2.gz WWBGREAJFZGVHM-FBHDLOMBSA-N 0 0 517.876 6.971 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1 ZINC000208469180 571574519 /nfs/dbraw/zinc/57/45/19/571574519.db2.gz OXNLLSNYEHOMJX-FMCGGJTJSA-N 0 0 526.058 6.045 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000208646850 571574677 /nfs/dbraw/zinc/57/46/77/571574677.db2.gz ICDFMVGBTLZHDX-MTJSOVHGSA-N 0 0 500.960 6.372 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCc1ccccc1F ZINC000208661324 571574787 /nfs/dbraw/zinc/57/47/87/571574787.db2.gz LDTDXFIPSXASQZ-BKUYFWCQSA-N 0 0 560.388 6.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208656183 571574822 /nfs/dbraw/zinc/57/48/22/571574822.db2.gz NNVCGFRFUOKETR-NHDPSOOVSA-N 0 0 645.437 7.443 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208708281 571575091 /nfs/dbraw/zinc/57/50/91/571575091.db2.gz WISNDEAQLQQRBM-JJFYIABZSA-N 0 0 530.986 6.381 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208716407 571575117 /nfs/dbraw/zinc/57/51/17/571575117.db2.gz VHPUBFFGJVVDNS-QFEZKATASA-N 0 0 580.500 7.735 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223917534 571575119 /nfs/dbraw/zinc/57/51/19/571575119.db2.gz BUWWUVHXGKFKEF-NSOVKSMOSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000224567508 571576395 /nfs/dbraw/zinc/57/63/95/571576395.db2.gz JZRRDMPPMPCIAN-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C(=Cc4ccc5c6ccccc6n(CC)c5c4)NC(=O)c4ccccc4)c3)C2=O)cc1 ZINC000211452441 571576469 /nfs/dbraw/zinc/57/64/69/571576469.db2.gz TYLIMLRFSJRQCE-WCTLWSTLSA-N 0 0 736.850 7.825 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000224572609 571577471 /nfs/dbraw/zinc/57/74/71/571577471.db2.gz YDJYODPUELXQGW-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223932279 571578022 /nfs/dbraw/zinc/57/80/22/571578022.db2.gz RVCDWZMTPKMVNQ-FIRIVFDPSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000223933406 571578304 /nfs/dbraw/zinc/57/83/04/571578304.db2.gz IMYCRYROBTZBMS-VMPREFPWSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223934484 571578430 /nfs/dbraw/zinc/57/84/30/571578430.db2.gz ADCXMTYKPQTPHZ-FQLXRVMXSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br ZINC000223934288 571578453 /nfs/dbraw/zinc/57/84/53/571578453.db2.gz RIUUOJLLZXBPPN-WDYNHAJCSA-N 0 0 588.575 6.265 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223935464 571578610 /nfs/dbraw/zinc/57/86/10/571578610.db2.gz CQZZBROAPRRBQH-LOYHVIPDSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223935806 571578653 /nfs/dbraw/zinc/57/86/53/571578653.db2.gz FKHZNBXNCOIDJK-XZWHSSHBSA-N 0 0 539.705 5.511 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223936956 571579056 /nfs/dbraw/zinc/57/90/56/571579056.db2.gz GTOJPIQXPKKINJ-SAIUNTKASA-N 0 0 580.802 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223937418 571579080 /nfs/dbraw/zinc/57/90/80/571579080.db2.gz LDQXUCIFWMIXAF-FQLXRVMXSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000223937831 571579174 /nfs/dbraw/zinc/57/91/74/571579174.db2.gz OWQAUEBIJTYXRQ-CONSDPRKSA-N 0 0 537.733 6.120 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940435 571579764 /nfs/dbraw/zinc/57/97/64/571579764.db2.gz XGLLKLFJSRNMPZ-IHLOFXLRSA-N 0 0 574.150 6.165 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ncccc1C ZINC000223941499 571580076 /nfs/dbraw/zinc/58/00/76/571580076.db2.gz XSJZIJPYOVYDBN-WUFINQPMSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000214932820 571581952 /nfs/dbraw/zinc/58/19/52/571581952.db2.gz RJMSGPLGTJJQNH-WGOQTCKBSA-N 0 0 551.506 7.111 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592364 571582164 /nfs/dbraw/zinc/58/21/64/571582164.db2.gz NAXGIVDKUILUNI-DQEYMECFSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592477 571582330 /nfs/dbraw/zinc/58/23/30/571582330.db2.gz ZNMOILCAKVZCRW-WDYNHAJCSA-N 0 0 525.678 5.208 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000215119807 571583230 /nfs/dbraw/zinc/58/32/30/571583230.db2.gz ADYDQETXSONORG-VULFUBBASA-N 0 0 525.045 7.141 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223961433 571584381 /nfs/dbraw/zinc/58/43/81/571584381.db2.gz LMFOUKGPHYEDOH-JSOSNVBQSA-N 0 0 566.731 5.461 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609188 571585766 /nfs/dbraw/zinc/58/57/66/571585766.db2.gz KVHIMXUMHIKXBD-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223971233 571586206 /nfs/dbraw/zinc/58/62/06/571586206.db2.gz HDHVJBSCVZSCCJ-IOWSJCHKSA-N 0 0 531.685 6.778 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5cc(C)ccc5OC)ccc4s3)CC2)cc1 ZINC000215876577 571586823 /nfs/dbraw/zinc/58/68/23/571586823.db2.gz RONQWJNPRKEZPI-UHFFFAOYSA-N 0 0 565.717 5.014 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223974989 571586893 /nfs/dbraw/zinc/58/68/93/571586893.db2.gz LECDYSUDEXAHCB-SXOMAYOGSA-N 0 0 560.521 6.387 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000223978569 571587663 /nfs/dbraw/zinc/58/76/63/571587663.db2.gz HPJBTICXYJSWAZ-WDYNHAJCSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000223978520 571587676 /nfs/dbraw/zinc/58/76/76/571587676.db2.gz HPJBTICXYJSWAZ-VMPREFPWSA-N 0 0 509.679 6.241 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224626880 571589784 /nfs/dbraw/zinc/58/97/84/571589784.db2.gz BRDMIZXZZHGLNQ-FIRIVFDPSA-N 0 0 584.667 8.477 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000224629433 571590532 /nfs/dbraw/zinc/59/05/32/571590532.db2.gz IDJYYQPWOFKOPG-LOYHVIPDSA-N 0 0 517.658 6.854 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224631486 571590858 /nfs/dbraw/zinc/59/08/58/571590858.db2.gz DQWFIXKJMYRWNE-JSOSNVBQSA-N 0 0 567.114 7.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000224635256 571591657 /nfs/dbraw/zinc/59/16/57/571591657.db2.gz ZSHLNBFXYVSVKW-JSOSNVBQSA-N 0 0 516.670 7.459 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224636203 571592005 /nfs/dbraw/zinc/59/20/05/571592005.db2.gz CMUCUKKVGKBXQR-SAIUNTKASA-N 0 0 544.724 8.021 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224636797 571592168 /nfs/dbraw/zinc/59/21/68/571592168.db2.gz VNIUIZSLNAIMFN-JSOSNVBQSA-N 0 0 534.660 7.598 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224638809 571592750 /nfs/dbraw/zinc/59/27/50/571592750.db2.gz LEZHKMBOGMOVJT-ROJLCIKYSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224641024 571593119 /nfs/dbraw/zinc/59/31/19/571593119.db2.gz KQYCFTBZQYSOGA-WEZIJMHWSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224640711 571593159 /nfs/dbraw/zinc/59/31/59/571593159.db2.gz RAKXWZLBQWJINS-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224641676 571593302 /nfs/dbraw/zinc/59/33/02/571593302.db2.gz XGNVHTABIUIBSC-TWJUONSBSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224642497 571593417 /nfs/dbraw/zinc/59/34/17/571593417.db2.gz RZBYSVSLPLPTLZ-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643170 571593466 /nfs/dbraw/zinc/59/34/66/571593466.db2.gz IDSJNOCQGCSHQY-ACHIHNKUSA-N 0 0 591.693 7.375 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21 ZINC000224003058 571593490 /nfs/dbraw/zinc/59/34/90/571593490.db2.gz GKAONXQAADHXEL-CLJLJLNGSA-N 0 0 519.070 6.273 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000224643736 571593528 /nfs/dbraw/zinc/59/35/28/571593528.db2.gz ZRGQGTXBDBRSFJ-XZWHSSHBSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl ZINC000224013754 571595373 /nfs/dbraw/zinc/59/53/73/571595373.db2.gz KLYUQRFZCURMGP-FTJBHMTQSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br ZINC000224014480 571595424 /nfs/dbraw/zinc/59/54/24/571595424.db2.gz IJRSYVYCSCWVNN-FTJBHMTQSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 ZINC000224014954 571595517 /nfs/dbraw/zinc/59/55/17/571595517.db2.gz PNLQDNMTQQMFOH-FTJBHMTQSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl ZINC000224017422 571595902 /nfs/dbraw/zinc/59/59/02/571595902.db2.gz FZJGOSUCGHEDEV-UIOOFZCWSA-N 0 0 537.472 6.702 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1c(C)cc(C)cc1C ZINC000224018930 571596238 /nfs/dbraw/zinc/59/62/38/571596238.db2.gz CNILPUXOCKMFSQ-PXJZQJOASA-N 0 0 510.663 6.320 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])c1 ZINC000224019666 571596334 /nfs/dbraw/zinc/59/63/34/571596334.db2.gz AZKDSLTZLSXHDZ-RRPNLBNLSA-N 0 0 543.605 5.312 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])c1 ZINC000224019718 571596338 /nfs/dbraw/zinc/59/63/38/571596338.db2.gz AZKDSLTZLSXHDZ-SVBPBHIXSA-N 0 0 543.605 5.312 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224659862 571597597 /nfs/dbraw/zinc/59/75/97/571597597.db2.gz KWPIZXUIDLIPNU-ROJLCIKYSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224660128 571597641 /nfs/dbraw/zinc/59/76/41/571597641.db2.gz CMUJTKBVEWZIAI-XDSPJLLDSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224664776 571598713 /nfs/dbraw/zinc/59/87/13/571598713.db2.gz IEVYUWPWGOQLSN-AJQTZOPKSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224668116 571599177 /nfs/dbraw/zinc/59/91/77/571599177.db2.gz ZIYIWPYACFANRB-MPQUPPDSSA-N 0 0 580.757 8.920 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224669693 571599560 /nfs/dbraw/zinc/59/95/60/571599560.db2.gz UGWRAPOBIGTZOW-SZAHLOSFSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Cl ZINC000224670630 571599613 /nfs/dbraw/zinc/59/96/13/571599613.db2.gz VREOGOTZVKRTRB-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224670989 571599648 /nfs/dbraw/zinc/59/96/48/571599648.db2.gz SYJPQTIBOFVACX-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Br ZINC000224671188 571599882 /nfs/dbraw/zinc/59/98/82/571599882.db2.gz FDEISOAMQSCMRB-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224673333 571600344 /nfs/dbraw/zinc/60/03/44/571600344.db2.gz TVXOOBNVHUCGCP-SZAHLOSFSA-N 0 0 573.766 7.833 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224674742 571600669 /nfs/dbraw/zinc/60/06/69/571600669.db2.gz OOFIDMUMPCOQCP-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224675341 571600895 /nfs/dbraw/zinc/60/08/95/571600895.db2.gz HMOKHDCPBTXLSJ-SAIUNTKASA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224675425 571600900 /nfs/dbraw/zinc/60/09/00/571600900.db2.gz HMOKHDCPBTXLSJ-LQJZCPKCSA-N 0 0 579.169 8.729 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676807 571601141 /nfs/dbraw/zinc/60/11/41/571601141.db2.gz VASQOFXHWLRMFU-QWOOXDRHSA-N 0 0 572.778 8.638 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676564 571601165 /nfs/dbraw/zinc/60/11/65/571601165.db2.gz JHBDDAXLULPTSH-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224677058 571601307 /nfs/dbraw/zinc/60/13/07/571601307.db2.gz IKKCHVFESCEFQH-ACHIHNKUSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ncccc1C ZINC000224677271 571601340 /nfs/dbraw/zinc/60/13/40/571601340.db2.gz LSFWBOIAXGVXHA-CONSDPRKSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224049963 571602040 /nfs/dbraw/zinc/60/20/40/571602040.db2.gz UCVWHDRYYAKJAN-AJQTZOPKSA-N 0 0 583.157 7.498 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224053105 571602672 /nfs/dbraw/zinc/60/26/72/571602672.db2.gz WHMHEKDTWCQEDB-VSGBNLITSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224053747 571602873 /nfs/dbraw/zinc/60/28/73/571602873.db2.gz SWARVDXRQVZTNI-WUFINQPMSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000224054928 571602940 /nfs/dbraw/zinc/60/29/40/571602940.db2.gz YCTKFEPGCSGKBV-URLMMPGGSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000224054868 571602995 /nfs/dbraw/zinc/60/29/95/571602995.db2.gz YCTKFEPGCSGKBV-WDYNHAJCSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224057309 571603621 /nfs/dbraw/zinc/60/36/21/571603621.db2.gz JEUVWMSALOUTSO-XZWHSSHBSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224058300 571603900 /nfs/dbraw/zinc/60/39/00/571603900.db2.gz XJQSCYHUJDJKEB-BVRKHOPBSA-N 0 0 575.178 7.270 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224058541 571603987 /nfs/dbraw/zinc/60/39/87/571603987.db2.gz NWMGHIZCRAMJIU-FQLXRVMXSA-N 0 0 581.569 7.307 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000224058845 571604095 /nfs/dbraw/zinc/60/40/95/571604095.db2.gz GTSYJYHMMRSDAZ-VMPREFPWSA-N 0 0 608.120 6.262 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224694324 571605932 /nfs/dbraw/zinc/60/59/32/571605932.db2.gz AQTULHKAIBQVIH-XDSPJLLDSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000224695311 571605989 /nfs/dbraw/zinc/60/59/89/571605989.db2.gz OBOUHQDITONRAY-ACHIHNKUSA-N 0 0 546.740 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224703168 571606858 /nfs/dbraw/zinc/60/68/58/571606858.db2.gz WZNRLHHZLKLTTA-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224703883 571606874 /nfs/dbraw/zinc/60/68/74/571606874.db2.gz YOQISCSTIQBLCL-HEVIKAOCSA-N 0 0 558.751 8.329 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224703740 571606889 /nfs/dbraw/zinc/60/68/89/571606889.db2.gz YOQISCSTIQBLCL-KKLWWLSJSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224704572 571606916 /nfs/dbraw/zinc/60/69/16/571606916.db2.gz ZZYSYQAJSPTGBF-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224703677 571606926 /nfs/dbraw/zinc/60/69/26/571606926.db2.gz RTERXNWZJSDBBS-ACHIHNKUSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224704713 571606929 /nfs/dbraw/zinc/60/69/29/571606929.db2.gz ZZYSYQAJSPTGBF-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224705423 571606977 /nfs/dbraw/zinc/60/69/77/571606977.db2.gz ZEIRPFGGHPCAAZ-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224705584 571606986 /nfs/dbraw/zinc/60/69/86/571606986.db2.gz AVAYZWQFNCLNQW-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224705227 571607007 /nfs/dbraw/zinc/60/70/07/571607007.db2.gz QJTFRIGXSUNJJK-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224708134 571607461 /nfs/dbraw/zinc/60/74/61/571607461.db2.gz JSMMWVJPINHNMK-AJQTZOPKSA-N 0 0 599.587 9.074 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710927 571608007 /nfs/dbraw/zinc/60/80/07/571608007.db2.gz IVFVYTXVZUUVQQ-OQBISYOISA-N 0 0 572.778 8.638 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710720 571608058 /nfs/dbraw/zinc/60/80/58/571608058.db2.gz ACMKOKLORZAIIJ-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224711085 571608147 /nfs/dbraw/zinc/60/81/47/571608147.db2.gz ZELIJYJVAQGNRS-ROJLCIKYSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1F ZINC000224091125 571608599 /nfs/dbraw/zinc/60/85/99/571608599.db2.gz UMMIQXBQWPXHAT-VMPREFPWSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224091644 571608772 /nfs/dbraw/zinc/60/87/72/571608772.db2.gz RXYDLABUEBXGDS-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224093849 571609094 /nfs/dbraw/zinc/60/90/94/571609094.db2.gz JQRPKOYTYWPUKZ-XZWHSSHBSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224095682 571609234 /nfs/dbraw/zinc/60/92/34/571609234.db2.gz ZSWCQCJMMNXKBA-IOWSJCHKSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224095115 571609255 /nfs/dbraw/zinc/60/92/55/571609255.db2.gz FWHBQWXFBQKEOW-FQLXRVMXSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224096432 571609401 /nfs/dbraw/zinc/60/94/01/571609401.db2.gz IUDKDFURAUDPIW-CONSDPRKSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224098845 571609806 /nfs/dbraw/zinc/60/98/06/571609806.db2.gz HHDKLPXIMMOAHM-FQLXRVMXSA-N 0 0 538.721 6.273 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224099384 571609894 /nfs/dbraw/zinc/60/98/94/571609894.db2.gz UKDUOZPNRGRWFX-WDYNHAJCSA-N 0 0 538.721 6.273 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000224723388 571610812 /nfs/dbraw/zinc/61/08/12/571610812.db2.gz QGSAZGNZAJUPNK-ZWXJPIIXSA-N 0 0 546.696 7.467 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224113631 571611459 /nfs/dbraw/zinc/61/14/59/571611459.db2.gz VRGYSZIADSGYRW-KYJUHHDHSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000224729522 571611878 /nfs/dbraw/zinc/61/18/78/571611878.db2.gz SOJQOHNMLWKZSK-ZWXJPIIXSA-N 0 0 562.739 7.691 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4O)c3C)cc2)cc1 ZINC000224733152 571612245 /nfs/dbraw/zinc/61/22/45/571612245.db2.gz PPIBWSOAVWSAPG-ROJLCIKYSA-N 0 0 597.140 7.826 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 ZINC000224736962 571612503 /nfs/dbraw/zinc/61/25/03/571612503.db2.gz IVEUMZHXXIAGSC-ZWXJPIIXSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 ZINC000224737445 571612548 /nfs/dbraw/zinc/61/25/48/571612548.db2.gz LSWKNEVWZMPDJQ-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 ZINC000224739291 571612659 /nfs/dbraw/zinc/61/26/59/571612659.db2.gz UVIYIWKRBWBHFI-ACHIHNKUSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 ZINC000224739132 571612669 /nfs/dbraw/zinc/61/26/69/571612669.db2.gz NNZKKFANDIPHIV-ZWXJPIIXSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)cc1 ZINC000224739707 571612692 /nfs/dbraw/zinc/61/26/92/571612692.db2.gz CTSVJYUQZKKZGH-ACHIHNKUSA-N 0 0 625.592 8.230 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742330 571612924 /nfs/dbraw/zinc/61/29/24/571612924.db2.gz MNPOBURLXFFGFI-MPQUPPDSSA-N 0 0 617.819 8.313 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)cc1 ZINC000224743326 571612982 /nfs/dbraw/zinc/61/29/82/571612982.db2.gz DMASMHUDHAJIMP-CWTKIQHKSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)cc1 ZINC000224743490 571612997 /nfs/dbraw/zinc/61/29/97/571612997.db2.gz WYLGAHWNWDZZRP-HEVIKAOCSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)cc2)cc1 ZINC000224743955 571613017 /nfs/dbraw/zinc/61/30/17/571613017.db2.gz LFERUUZJCYGQOT-OQBISYOISA-N 0 0 588.777 8.392 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)cc2)cc1 ZINC000224745126 571613168 /nfs/dbraw/zinc/61/31/68/571613168.db2.gz HOCDFNAGXFCJKN-SAIUNTKASA-N 0 0 611.167 8.129 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)ccn4)c3C)cc2)cc1 ZINC000224745713 571613234 /nfs/dbraw/zinc/61/32/34/571613234.db2.gz CJHTUAOTDAGTPV-ACHIHNKUSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ncccc4C)c3C)cc2)cc1 ZINC000224745921 571613236 /nfs/dbraw/zinc/61/32/36/571613236.db2.gz QBLDAQWWNRRKSU-CONSDPRKSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ncccc4C)c3C)cc2)cc1 ZINC000224745974 571613238 /nfs/dbraw/zinc/61/32/38/571613238.db2.gz QBLDAQWWNRRKSU-JSOSNVBQSA-N 0 0 561.711 7.171 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224770498 571615475 /nfs/dbraw/zinc/61/54/75/571615475.db2.gz DWJIHCXGXMSKGV-GPOMZPHUSA-N 0 0 627.795 8.879 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224771793 571615670 /nfs/dbraw/zinc/61/56/70/571615670.db2.gz CYDZCSXZGCBUHB-AJQTZOPKSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224772700 571615695 /nfs/dbraw/zinc/61/56/95/571615695.db2.gz JOPRZIHYDSOMRD-FIRIVFDPSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224773155 571615755 /nfs/dbraw/zinc/61/57/55/571615755.db2.gz TUCRRLVERIPVCL-JSOSNVBQSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224774578 571615827 /nfs/dbraw/zinc/61/58/27/571615827.db2.gz KZRIATSULKDRJZ-FIRIVFDPSA-N 0 0 593.734 7.431 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224774823 571615888 /nfs/dbraw/zinc/61/58/88/571615888.db2.gz CDJFNQIHQOVYAF-ZWXJPIIXSA-N 0 0 607.761 7.734 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224776900 571616080 /nfs/dbraw/zinc/61/60/80/571616080.db2.gz KIJXSRJRXXSOHN-JHOUSYSJSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224777499 571616094 /nfs/dbraw/zinc/61/60/94/571616094.db2.gz AZZYPLRJNKVVKA-AJQTZOPKSA-N 0 0 621.744 7.454 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224777010 571616110 /nfs/dbraw/zinc/61/61/10/571616110.db2.gz YAVWYOFGYHUTMK-ZQWAWDFXSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ncccc1C ZINC000224779583 571616318 /nfs/dbraw/zinc/61/63/18/571616318.db2.gz HMPMGDOFRNFFRA-IHLOFXLRSA-N 0 0 592.750 7.429 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1ccccc1 ZINC000224791214 571617478 /nfs/dbraw/zinc/61/74/78/571617478.db2.gz KQHPYZNYZFZNRJ-IHLOFXLRSA-N 0 0 563.708 7.417 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c(OC)c1 ZINC000224800603 571618381 /nfs/dbraw/zinc/61/83/81/571618381.db2.gz WRDHZRMLJPDZGD-RRPNLBNLSA-N 0 0 535.069 6.042 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c(OC)c1 ZINC000224800557 571618393 /nfs/dbraw/zinc/61/83/93/571618393.db2.gz WRDHZRMLJPDZGD-SXOMAYOGSA-N 0 0 535.069 6.042 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c(OC)c1 ZINC000224803805 571618648 /nfs/dbraw/zinc/61/86/48/571618648.db2.gz CFFCMNZIXMCUHH-FIRIVFDPSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c(OC)c1 ZINC000224805153 571618752 /nfs/dbraw/zinc/61/87/52/571618752.db2.gz OSNCHZPEVBAFNC-RRPNLBNLSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000224806717 571618875 /nfs/dbraw/zinc/61/88/75/571618875.db2.gz OPOFNDKVDRMNGI-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c(OC)c1 ZINC000224807062 571618951 /nfs/dbraw/zinc/61/89/51/571618951.db2.gz CZYYFFUSUYAQOT-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c(OC)c1 ZINC000224809717 571619232 /nfs/dbraw/zinc/61/92/32/571619232.db2.gz RAEBGUUDZCTBGC-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1 ZINC000224810429 571619266 /nfs/dbraw/zinc/61/92/66/571619266.db2.gz ZPKFTVFJZAZQMM-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c(OC)c1 ZINC000224810793 571619298 /nfs/dbraw/zinc/61/92/98/571619298.db2.gz WMKKBLFRXRXKII-DGPALRBDSA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c(OC)c1 ZINC000224811333 571619358 /nfs/dbraw/zinc/61/93/58/571619358.db2.gz SYAPPQGTGCJUTA-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224812448 571619425 /nfs/dbraw/zinc/61/94/25/571619425.db2.gz DLVBKEAYJRGNNZ-JDXGNMNLSA-N 0 0 526.706 6.554 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c(OC)c1 ZINC000224812118 571619444 /nfs/dbraw/zinc/61/94/44/571619444.db2.gz AOEHCMAGGUZMID-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c(OC)c1 ZINC000224812167 571619454 /nfs/dbraw/zinc/61/94/54/571619454.db2.gz AOEHCMAGGUZMID-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224824634 571620649 /nfs/dbraw/zinc/62/06/49/571620649.db2.gz JMONUKSXYDTUCV-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000224830040 571621239 /nfs/dbraw/zinc/62/12/39/571621239.db2.gz OVXVAOZTTSXONJ-SVBPBHIXSA-N 0 0 500.668 5.908 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224838399 571622060 /nfs/dbraw/zinc/62/20/60/571622060.db2.gz LDNHABKALLTGIT-VMPREFPWSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000224838949 571622141 /nfs/dbraw/zinc/62/21/41/571622141.db2.gz IPQMKWFXPHYWCQ-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000224838991 571622152 /nfs/dbraw/zinc/62/21/52/571622152.db2.gz IPQMKWFXPHYWCQ-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224840734 571622319 /nfs/dbraw/zinc/62/23/19/571622319.db2.gz OSGXHDNCLKTYJZ-NSOVKSMOSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224840880 571622336 /nfs/dbraw/zinc/62/23/36/571622336.db2.gz NPBKHPDLSZDXHL-WUFINQPMSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224840839 571622347 /nfs/dbraw/zinc/62/23/47/571622347.db2.gz NPBKHPDLSZDXHL-IZLXSDGUSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224844069 571622607 /nfs/dbraw/zinc/62/26/07/571622607.db2.gz LXKAKISSIDUQCI-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224845015 571622671 /nfs/dbraw/zinc/62/26/71/571622671.db2.gz JRSXADZEIVOFJX-MFMCTBQISA-N 0 0 526.706 6.554 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1O ZINC000224864382 571624539 /nfs/dbraw/zinc/62/45/39/571624539.db2.gz QHBIXDPASPTFMT-RPBOFIJWSA-N 0 0 525.461 6.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224868481 571624916 /nfs/dbraw/zinc/62/49/16/571624916.db2.gz YSNMEAILPNVNQK-JWQCQUIFSA-N 0 0 543.014 7.044 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224868651 571624945 /nfs/dbraw/zinc/62/49/45/571624945.db2.gz JMJCNCMUTJUJPS-KAYWLYCHSA-N 0 0 503.071 6.588 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)ccc1C ZINC000224872803 571625419 /nfs/dbraw/zinc/62/54/19/571625419.db2.gz HQMPSNFAXFTYDT-KAYWLYCHSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cccc1C ZINC000224872982 571625504 /nfs/dbraw/zinc/62/55/04/571625504.db2.gz YOMUXASPZALCFV-XNMGPUDCSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224890048 571627157 /nfs/dbraw/zinc/62/71/57/571627157.db2.gz BGHSPEROQAJRCF-IZZNHLLZSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224894112 571627568 /nfs/dbraw/zinc/62/75/68/571627568.db2.gz MNVQATSLXXYKTN-UIOOFZCWSA-N 0 0 507.034 6.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224896846 571627811 /nfs/dbraw/zinc/62/78/11/571627811.db2.gz LDWVDWUGLSFGIB-IHLOFXLRSA-N 0 0 506.650 7.267 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224919722 571629884 /nfs/dbraw/zinc/62/98/84/571629884.db2.gz KBFVKXUFMGBPBP-UIOOFZCWSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccn1 ZINC000224921994 571630211 /nfs/dbraw/zinc/63/02/11/571630211.db2.gz JUPRLZZWXRRXOQ-JWQCQUIFSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C ZINC000224927512 571630818 /nfs/dbraw/zinc/63/08/18/571630818.db2.gz PJEDZHJUEFYQPX-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224929464 571631031 /nfs/dbraw/zinc/63/10/31/571631031.db2.gz UMNYZIPKTDADFB-CLJLJLNGSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224929952 571631072 /nfs/dbraw/zinc/63/10/72/571631072.db2.gz MASTYPPMRISIHY-UIOOFZCWSA-N 0 0 596.392 7.500 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224930362 571631097 /nfs/dbraw/zinc/63/10/97/571631097.db2.gz LGMZEYJWVNDIGH-KAYWLYCHSA-N 0 0 547.522 6.746 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224931951 571631260 /nfs/dbraw/zinc/63/12/60/571631260.db2.gz LLERKOUIMFAXDQ-IZLXSDGUSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224932504 571631296 /nfs/dbraw/zinc/63/12/96/571631296.db2.gz YJBVDFPEATZLGF-WUFINQPMSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224933019 571631357 /nfs/dbraw/zinc/63/13/57/571631357.db2.gz ALQZTHUQCUPJRU-RRPNLBNLSA-N 0 0 565.968 7.699 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224933372 571631405 /nfs/dbraw/zinc/63/14/05/571631405.db2.gz QJKSOTOGVOUNHU-RRPNLBNLSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224933335 571631420 /nfs/dbraw/zinc/63/14/20/571631420.db2.gz QJKSOTOGVOUNHU-SXOMAYOGSA-N 0 0 592.519 6.654 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224945411 571632619 /nfs/dbraw/zinc/63/26/19/571632619.db2.gz DBLFMQLCTGMZGK-SVBPBHIXSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000224950337 571633057 /nfs/dbraw/zinc/63/30/57/571633057.db2.gz UQYDDEDSZIYERY-FTJBHMTQSA-N 0 0 505.087 6.552 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224957861 571633763 /nfs/dbraw/zinc/63/37/63/571633763.db2.gz CMICWIGXZLOYSX-NSOVKSMOSA-N 0 0 517.098 6.891 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224958451 571633767 /nfs/dbraw/zinc/63/37/67/571633767.db2.gz PEEZCFUMVFMUTA-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224958093 571633772 /nfs/dbraw/zinc/63/37/72/571633772.db2.gz GAADVZAEDGANKY-UIOOFZCWSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224958661 571633850 /nfs/dbraw/zinc/63/38/50/571633850.db2.gz NPJKHAJOTHGCIN-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224959363 571633961 /nfs/dbraw/zinc/63/39/61/571633961.db2.gz UWPGIDXEXYNVDP-IZZNHLLZSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224961206 571634125 /nfs/dbraw/zinc/63/41/25/571634125.db2.gz PGALNFYQKPWILY-FTJBHMTQSA-N 0 0 557.934 7.635 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224974781 571635431 /nfs/dbraw/zinc/63/54/31/571635431.db2.gz GRJSRAGOIHZRLK-KAYWLYCHSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224982232 571635980 /nfs/dbraw/zinc/63/59/80/571635980.db2.gz VHEIXHCKKUIJFQ-FIRIVFDPSA-N 0 0 606.623 7.915 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224985087 571636365 /nfs/dbraw/zinc/63/63/65/571636365.db2.gz QGHXTHZUQJKESF-PXLJZGITSA-N 0 0 606.239 8.709 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224985914 571636423 /nfs/dbraw/zinc/63/64/23/571636423.db2.gz LBZLANMVOWPJNG-ACHIHNKUSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224986074 571636462 /nfs/dbraw/zinc/63/64/62/571636462.db2.gz ZMYJQOFYVAHFPI-ACHIHNKUSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224986127 571636508 /nfs/dbraw/zinc/63/65/08/571636508.db2.gz ODKXFSIFXRPHLL-FIRIVFDPSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224987159 571636602 /nfs/dbraw/zinc/63/66/02/571636602.db2.gz WIOAQOKSAHZVDS-FIRIVFDPSA-N 0 0 590.624 8.209 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989541 571636840 /nfs/dbraw/zinc/63/68/40/571636840.db2.gz CIMZTTXDSFUCPH-VSJLXWSYSA-N 0 0 627.302 8.402 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224990402 571636956 /nfs/dbraw/zinc/63/69/56/571636956.db2.gz RCFFQQSCRUHHLZ-VTIYRKAUSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224990145 571636984 /nfs/dbraw/zinc/63/69/84/571636984.db2.gz XIKWMJARSBDGBH-LQJZCPKCSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224990621 571636996 /nfs/dbraw/zinc/63/69/96/571636996.db2.gz UCSKFQKGWGWTED-JHOUSYSJSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224990999 571637010 /nfs/dbraw/zinc/63/70/10/571637010.db2.gz NWKVMNRRMULWCQ-TWJUONSBSA-N 0 0 598.260 8.481 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991332 571637055 /nfs/dbraw/zinc/63/70/55/571637055.db2.gz CHGOWMBLEYRQFH-ACHIHNKUSA-N 0 0 631.202 7.473 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991214 571637060 /nfs/dbraw/zinc/63/70/60/571637060.db2.gz CHGOWMBLEYRQFH-ROJLCIKYSA-N 0 0 631.202 7.473 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991863 571637162 /nfs/dbraw/zinc/63/71/62/571637162.db2.gz OJXYLNKNWZHUNU-ROJLCIKYSA-N 0 0 620.650 8.218 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991973 571637179 /nfs/dbraw/zinc/63/71/79/571637179.db2.gz OJXYLNKNWZHUNU-ACHIHNKUSA-N 0 0 620.650 8.218 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000225002490 571638168 /nfs/dbraw/zinc/63/81/68/571638168.db2.gz NIWRHQBBQLRQFN-JSOSNVBQSA-N 0 0 572.178 7.256 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)n1-c1ccccc1 ZINC000225002409 571638191 /nfs/dbraw/zinc/63/81/91/571638191.db2.gz XRFXHKGIOIIOFV-KYJUHHDHSA-N 0 0 542.152 7.248 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225035391 571640913 /nfs/dbraw/zinc/64/09/13/571640913.db2.gz MEFPACBZBGXPSR-AJQTZOPKSA-N 0 0 566.775 5.800 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225043556 571641547 /nfs/dbraw/zinc/64/15/47/571641547.db2.gz HTMSICRDANMKOV-KYJUHHDHSA-N 0 0 509.723 6.526 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225044225 571641566 /nfs/dbraw/zinc/64/15/66/571641566.db2.gz UECSJYDRRAPNMJ-NSOVKSMOSA-N 0 0 516.114 6.617 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046552 571641809 /nfs/dbraw/zinc/64/18/09/571641809.db2.gz JBNWIOWOILMKNG-AJQTZOPKSA-N 0 0 552.792 6.810 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225046897 571641863 /nfs/dbraw/zinc/64/18/63/571641863.db2.gz YJXNCFDESCGJJP-WUFINQPMSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225046853 571641872 /nfs/dbraw/zinc/64/18/72/571641872.db2.gz YJXNCFDESCGJJP-IZLXSDGUSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225047717 571641970 /nfs/dbraw/zinc/64/19/70/571641970.db2.gz YUPZPPGXVSVEBM-WDYNHAJCSA-N 0 0 525.678 5.693 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048863 571642091 /nfs/dbraw/zinc/64/20/91/571642091.db2.gz YRJPXTOLPCPSBA-FQLXRVMXSA-N 0 0 546.140 6.626 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225048528 571642105 /nfs/dbraw/zinc/64/21/05/571642105.db2.gz XDYMUGZCNWZOOX-FQLXRVMXSA-N 0 0 530.141 6.926 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225060113 571643016 /nfs/dbraw/zinc/64/30/16/571643016.db2.gz SVZONHBNGVVNRL-WDYNHAJCSA-N 0 0 539.705 5.750 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000225064895 571643491 /nfs/dbraw/zinc/64/34/91/571643491.db2.gz FGXJIOOQCXNPSM-CZNDPXEESA-N 0 0 589.765 6.908 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000225066160 571643580 /nfs/dbraw/zinc/64/35/80/571643580.db2.gz WZCJKSQEUJRSGO-ZWXJPIIXSA-N 0 0 574.710 6.079 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000225071323 571644123 /nfs/dbraw/zinc/64/41/23/571644123.db2.gz KOQUIIWNMWOBFJ-CZNDPXEESA-N 0 0 573.722 6.684 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225071864 571644183 /nfs/dbraw/zinc/64/41/83/571644183.db2.gz JAUZRVKQEBDOTD-KKLWWLSJSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225072124 571644185 /nfs/dbraw/zinc/64/41/85/571644185.db2.gz BHTZMWXLDFDLPK-JHOUSYSJSA-N 0 0 641.719 7.703 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225072403 571644202 /nfs/dbraw/zinc/64/42/02/571644202.db2.gz OTWOVGPOLQKJOE-VSJLXWSYSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225074376 571644421 /nfs/dbraw/zinc/64/44/21/571644421.db2.gz WGADRLMOZZXFJR-LQJZCPKCSA-N 0 0 589.721 6.389 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225074648 571644482 /nfs/dbraw/zinc/64/44/82/571644482.db2.gz LRKRTMPWGCRWDT-NOCHOARKSA-N 0 0 603.748 6.692 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225077554 571644780 /nfs/dbraw/zinc/64/47/80/571644780.db2.gz MOOHWBAEHMMJCE-KKLWWLSJSA-N 0 0 622.194 7.646 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225078381 571644878 /nfs/dbraw/zinc/64/48/78/571644878.db2.gz VVZYYRJPIYNAKQ-CZNDPXEESA-N 0 0 588.737 6.387 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000225078613 571644947 /nfs/dbraw/zinc/64/49/47/571644947.db2.gz CVRDLICWRBCSEU-AJQTZOPKSA-N 0 0 588.737 6.387 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225089246 571646227 /nfs/dbraw/zinc/64/62/27/571646227.db2.gz RZIOJNWFSYOQCO-KKLWWLSJSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)(C)C ZINC000225094000 571646637 /nfs/dbraw/zinc/64/66/37/571646637.db2.gz ZGJMTZJZUGBMFQ-WDYNHAJCSA-N 0 0 569.775 6.884 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225095230 571646767 /nfs/dbraw/zinc/64/67/67/571646767.db2.gz HKFZNEBLKRFNBR-NSOVKSMOSA-N 0 0 554.720 6.054 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1NC(=O)C(C)(C)C ZINC000225099691 571647163 /nfs/dbraw/zinc/64/71/63/571647163.db2.gz XIPRMILTCYGVAM-LQJZCPKCSA-N 0 0 603.792 7.813 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102528 571647379 /nfs/dbraw/zinc/64/73/79/571647379.db2.gz RULVGFXSDIRLKL-VMPREFPWSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102355 571647386 /nfs/dbraw/zinc/64/73/86/571647386.db2.gz CORUFWVYKMSWFD-VMPREFPWSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102218 571647394 /nfs/dbraw/zinc/64/73/94/571647394.db2.gz HUBRHINGVWXMMK-WDYNHAJCSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103041 571647436 /nfs/dbraw/zinc/64/74/36/571647436.db2.gz FJVZYFRTNWPWCX-VMPREFPWSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102698 571647473 /nfs/dbraw/zinc/64/74/73/571647473.db2.gz CIWCNJNOCLVKMR-VMPREFPWSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225103583 571647551 /nfs/dbraw/zinc/64/75/51/571647551.db2.gz VLJYOSXTYCROMZ-IHLOFXLRSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104737 571647684 /nfs/dbraw/zinc/64/76/84/571647684.db2.gz DYWSNOJOQQNVJU-VMPREFPWSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105205 571647730 /nfs/dbraw/zinc/64/77/30/571647730.db2.gz SIZMPNLWAABKAK-FIRIVFDPSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105805 571647751 /nfs/dbraw/zinc/64/77/51/571647751.db2.gz FUICUECGQDAEGZ-BHYZAODMSA-N 0 0 595.813 7.585 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107565 571648016 /nfs/dbraw/zinc/64/80/16/571648016.db2.gz OMOLMVFDULAZGY-WUFINQPMSA-N 0 0 568.747 6.363 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)cc1 ZINC000225117966 571649195 /nfs/dbraw/zinc/64/91/95/571649195.db2.gz BQEAIIGYAGMWMH-FQLXRVMXSA-N 0 0 569.731 6.360 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225118387 571649234 /nfs/dbraw/zinc/64/92/34/571649234.db2.gz DRKSGVWDKKUYEG-KYJUHHDHSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225122107 571649552 /nfs/dbraw/zinc/64/95/52/571649552.db2.gz PHMZHYNQNWDENS-NSOVKSMOSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225122278 571649597 /nfs/dbraw/zinc/64/95/97/571649597.db2.gz WZDNPQUDZKRPEK-ACHIHNKUSA-N 0 0 629.230 6.751 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000225122972 571649644 /nfs/dbraw/zinc/64/96/44/571649644.db2.gz TVDXTDUDOBYYNR-VSGBNLITSA-N 0 0 560.167 7.138 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225129695 571650134 /nfs/dbraw/zinc/65/01/34/571650134.db2.gz ATFYXQGMXIYWSS-VSGBNLITSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000225131662 571650278 /nfs/dbraw/zinc/65/02/78/571650278.db2.gz DKRUGRLFBSGWOI-IZLXSDGUSA-N 0 0 560.123 6.620 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000225133440 571650441 /nfs/dbraw/zinc/65/04/41/571650441.db2.gz VUPMQRNVFCTPGL-LOYHVIPDSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225134267 571650562 /nfs/dbraw/zinc/65/05/62/571650562.db2.gz IVRMQRKOCZUBMA-VEEOACQBSA-N 0 0 586.205 7.839 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225134336 571650566 /nfs/dbraw/zinc/65/05/66/571650566.db2.gz IVRMQRKOCZUBMA-SMCANUKXSA-N 0 0 586.205 7.839 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225134995 571650623 /nfs/dbraw/zinc/65/06/23/571650623.db2.gz MEZOQIYELGTCBD-VMPREFPWSA-N 0 0 592.596 7.876 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135208 571650667 /nfs/dbraw/zinc/65/06/67/571650667.db2.gz JRNHQBUCMFPFBB-FQLXRVMXSA-N 0 0 608.595 7.576 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135545 571650674 /nfs/dbraw/zinc/65/06/74/571650674.db2.gz ZAZXMPRHAXVDQU-VEEOACQBSA-N 0 0 586.205 7.785 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225145909 571651915 /nfs/dbraw/zinc/65/19/15/571651915.db2.gz DHRVVRYOWFFQRZ-WDYNHAJCSA-N 0 0 602.160 6.701 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)cc1 ZINC000225145617 571651922 /nfs/dbraw/zinc/65/19/22/571651922.db2.gz KDZRBSONXMNBHN-WUFINQPMSA-N 0 0 560.123 6.614 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225156836 571653018 /nfs/dbraw/zinc/65/30/18/571653018.db2.gz PDHKVSZWZHOFMH-XZWHSSHBSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225157365 571653079 /nfs/dbraw/zinc/65/30/79/571653079.db2.gz YKKGKKYYACIUAO-FQLXRVMXSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225158314 571653154 /nfs/dbraw/zinc/65/31/54/571653154.db2.gz DFMARFHYBFTMHA-VMPREFPWSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225158909 571653167 /nfs/dbraw/zinc/65/31/67/571653167.db2.gz OEFZQZQNOBXPPC-URLMMPGGSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225159254 571653175 /nfs/dbraw/zinc/65/31/75/571653175.db2.gz OIHRECLZMSIGFA-URLMMPGGSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225159078 571653195 /nfs/dbraw/zinc/65/31/95/571653195.db2.gz YKXOAVWZLUKVHK-URLMMPGGSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225159547 571653227 /nfs/dbraw/zinc/65/32/27/571653227.db2.gz VMMHVAJJROXPKV-WDYNHAJCSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225161795 571653429 /nfs/dbraw/zinc/65/34/29/571653429.db2.gz KECXREDHFFHQRN-JSOSNVBQSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225161964 571653478 /nfs/dbraw/zinc/65/34/78/571653478.db2.gz RVQTUUYWFFLKJK-IHLOFXLRSA-N 0 0 553.688 6.052 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225162529 571653523 /nfs/dbraw/zinc/65/35/23/571653523.db2.gz JHJNPAMVRUMBMF-XZWHSSHBSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1C ZINC000225163598 571653591 /nfs/dbraw/zinc/65/35/91/571653591.db2.gz WBZNIQGHSIMDRH-XLJNKUFUSA-N 0 0 551.760 7.194 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225163770 571653678 /nfs/dbraw/zinc/65/36/78/571653678.db2.gz LVPPQFCTDNBAIK-FQLXRVMXSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225174440 571654569 /nfs/dbraw/zinc/65/45/69/571654569.db2.gz BHVPGTAHFVREDQ-LOYHVIPDSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1OC ZINC000225178815 571655044 /nfs/dbraw/zinc/65/50/44/571655044.db2.gz PPUFZXBIMHVHOF-WDYNHAJCSA-N 0 0 541.721 6.248 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1OC ZINC000225186195 571655826 /nfs/dbraw/zinc/65/58/26/571655826.db2.gz XJGWIAVAJUZACX-VMPREFPWSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC ZINC000225187410 571655925 /nfs/dbraw/zinc/65/59/25/571655925.db2.gz BWAZRMMKZVMJQS-WDYNHAJCSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC ZINC000225190018 571656225 /nfs/dbraw/zinc/65/62/25/571656225.db2.gz IJUYMDCJQVOORS-IOWSJCHKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1OC ZINC000225191745 571656378 /nfs/dbraw/zinc/65/63/78/571656378.db2.gz NXKNIGFNYXPDPE-BHYZAODMSA-N 0 0 567.759 6.894 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1OC ZINC000225202444 571657438 /nfs/dbraw/zinc/65/74/38/571657438.db2.gz XKSMFRQPQCDMTI-LOYHVIPDSA-N 0 0 583.714 5.810 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1OC ZINC000225202704 571657510 /nfs/dbraw/zinc/65/75/10/571657510.db2.gz LXSZXNNAVWYQRN-IHLOFXLRSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000225210018 571658249 /nfs/dbraw/zinc/65/82/49/571658249.db2.gz XBXZQCSUPVGKMW-IZLXSDGUSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000225212739 571658472 /nfs/dbraw/zinc/65/84/72/571658472.db2.gz CMBNJIWGHRTHQB-ZWXJPIIXSA-N 0 0 561.711 6.404 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000225213597 571658496 /nfs/dbraw/zinc/65/84/96/571658496.db2.gz QWCYHHMFWYQOOQ-WDYNHAJCSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000225214522 571658609 /nfs/dbraw/zinc/65/86/09/571658609.db2.gz USOQTCJIXHCFAD-VSGBNLITSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000225215635 571658755 /nfs/dbraw/zinc/65/87/55/571658755.db2.gz AULBBZPXCIUABE-IZLXSDGUSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000225216455 571658881 /nfs/dbraw/zinc/65/88/81/571658881.db2.gz ZTFBURBCCKXATM-VMPREFPWSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000225217552 571658986 /nfs/dbraw/zinc/65/89/86/571658986.db2.gz QSYSPTQFCQABSA-IZLXSDGUSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000225219177 571659156 /nfs/dbraw/zinc/65/91/56/571659156.db2.gz GXEBWBKQSBUYCI-FQLXRVMXSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000225219316 571659164 /nfs/dbraw/zinc/65/91/64/571659164.db2.gz SJWWGHUZRPQEKF-URLMMPGGSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000225219275 571659174 /nfs/dbraw/zinc/65/91/74/571659174.db2.gz SJWWGHUZRPQEKF-WDYNHAJCSA-N 0 0 586.674 5.168 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225220101 571659246 /nfs/dbraw/zinc/65/92/46/571659246.db2.gz FNGJEVLPKAUZAX-VEEOACQBSA-N 0 0 553.732 6.122 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225220134 571659273 /nfs/dbraw/zinc/65/92/73/571659273.db2.gz FNGJEVLPKAUZAX-IGYGKHONSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000225236357 571661070 /nfs/dbraw/zinc/66/10/70/571661070.db2.gz GBGMZRDURHOTCF-KAYWLYCHSA-N 0 0 547.084 5.300 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000225241405 571661600 /nfs/dbraw/zinc/66/16/00/571661600.db2.gz FXQUNLBEDAZDQN-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225242146 571661695 /nfs/dbraw/zinc/66/16/95/571661695.db2.gz NPBSJOYOVJOEFF-XZWHSSHBSA-N 0 0 574.150 6.467 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000225242564 571661742 /nfs/dbraw/zinc/66/17/42/571661742.db2.gz ZBEVLZBUBFNEMM-NSOVKSMOSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000225242313 571661747 /nfs/dbraw/zinc/66/17/47/571661747.db2.gz VUZQHGRXWISXHK-WUFINQPMSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000225242964 571661810 /nfs/dbraw/zinc/66/18/10/571661810.db2.gz IIDGXWGEAKFSAN-VSGBNLITSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000225243170 571661859 /nfs/dbraw/zinc/66/18/59/571661859.db2.gz IYPKMYKIMYUXEC-NSOVKSMOSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000225244076 571661959 /nfs/dbraw/zinc/66/19/59/571661959.db2.gz ZDRKZXPJFIOTEO-URLMMPGGSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000225246408 571662167 /nfs/dbraw/zinc/66/21/67/571662167.db2.gz PGMCVDOUYBCKIN-VMPREFPWSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000225246650 571662226 /nfs/dbraw/zinc/66/22/26/571662226.db2.gz GYDSQYPJZHCWDU-URLMMPGGSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000225257391 571663377 /nfs/dbraw/zinc/66/33/77/571663377.db2.gz IVOROEWYECIKKX-IZLXSDGUSA-N 0 0 562.095 5.605 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000225262182 571663903 /nfs/dbraw/zinc/66/39/03/571663903.db2.gz JLPSAGMSDRBSIE-WDYNHAJCSA-N 0 0 541.721 5.784 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225264763 571664205 /nfs/dbraw/zinc/66/42/05/571664205.db2.gz XBVTVXNPSDUYOC-URLMMPGGSA-N 0 0 576.122 5.919 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225267058 571664497 /nfs/dbraw/zinc/66/44/97/571664497.db2.gz VODLTEDUAPVKNP-JHOUSYSJSA-N 0 0 575.738 6.713 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225266993 571664515 /nfs/dbraw/zinc/66/45/15/571664515.db2.gz VODLTEDUAPVKNP-LQJZCPKCSA-N 0 0 575.738 6.713 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225268523 571664712 /nfs/dbraw/zinc/66/47/12/571664712.db2.gz HIVMIJJJVVDEMW-VMPREFPWSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225270126 571664931 /nfs/dbraw/zinc/66/49/31/571664931.db2.gz PCIDDZYRVSMITD-URLMMPGGSA-N 0 0 541.677 5.265 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271185 571665007 /nfs/dbraw/zinc/66/50/07/571665007.db2.gz NFYRIIMWOKKHPV-SAIUNTKASA-N 0 0 596.801 6.406 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225271079 571665024 /nfs/dbraw/zinc/66/50/24/571665024.db2.gz ASQVWHCFFJVKSG-FIRIVFDPSA-N 0 0 568.747 5.626 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225272385 571665186 /nfs/dbraw/zinc/66/51/86/571665186.db2.gz CJJCUEPNWGREIE-IHLOFXLRSA-N 0 0 569.687 5.288 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225272706 571665209 /nfs/dbraw/zinc/66/52/09/571665209.db2.gz ZFZUUJFPKPDDGK-IHLOFXLRSA-N 0 0 574.150 6.521 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225273794 571665310 /nfs/dbraw/zinc/66/53/10/571665310.db2.gz KELMUDYVNMSSHE-XLJNKUFUSA-N 0 0 567.759 6.430 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225273741 571665324 /nfs/dbraw/zinc/66/53/24/571665324.db2.gz PKUHSLVNMAWCCK-LOYHVIPDSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225273666 571665344 /nfs/dbraw/zinc/66/53/44/571665344.db2.gz PKUHSLVNMAWCCK-IHLOFXLRSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1OC ZINC000225288178 571666882 /nfs/dbraw/zinc/66/68/82/571666882.db2.gz UMIRFYCPCIGMEI-FQLXRVMXSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1OC ZINC000225289035 571666980 /nfs/dbraw/zinc/66/69/80/571666980.db2.gz DLKXMSAVWDQDMK-WDYNHAJCSA-N 0 0 592.165 6.137 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1OC ZINC000225294367 571667679 /nfs/dbraw/zinc/66/76/79/571667679.db2.gz ILADFKUMKIIYKK-WDYNHAJCSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC ZINC000225294654 571667750 /nfs/dbraw/zinc/66/77/50/571667750.db2.gz VPTHBQISXVMORY-IHLOFXLRSA-N 0 0 555.704 5.568 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225295236 571667812 /nfs/dbraw/zinc/66/78/12/571667812.db2.gz CHHZHKZYNSLYRU-FIRIVFDPSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1OC ZINC000225295983 571667934 /nfs/dbraw/zinc/66/79/34/571667934.db2.gz IMILQSLJGZPEGO-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1OC ZINC000225298395 571668324 /nfs/dbraw/zinc/66/83/24/571668324.db2.gz AIDCVRDNMQJVJG-CONSDPRKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1OC ZINC000225298324 571668362 /nfs/dbraw/zinc/66/83/62/571668362.db2.gz PRHCIYMBOILQRF-URLMMPGGSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)ccc1OC ZINC000225299717 571668486 /nfs/dbraw/zinc/66/84/86/571668486.db2.gz ZCGDAZDJJUBTMH-LOYHVIPDSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1OC ZINC000225299845 571668542 /nfs/dbraw/zinc/66/85/42/571668542.db2.gz FPNWETHSQAVUPN-XZWHSSHBSA-N 0 0 590.149 6.222 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225300487 571668582 /nfs/dbraw/zinc/66/85/82/571668582.db2.gz JMBIVPPQKKQVLG-CDZUIXILSA-N 0 0 583.758 6.131 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)ccc1OC ZINC000225309084 571669789 /nfs/dbraw/zinc/66/97/89/571669789.db2.gz SSMNXJGKJWQANW-XZWHSSHBSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NC(C)=O ZINC000225318112 571672268 /nfs/dbraw/zinc/67/22/68/571672268.db2.gz IUBSBZSNTMBFGF-IZLXSDGUSA-N 0 0 511.651 5.633 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225318953 571672860 /nfs/dbraw/zinc/67/28/60/571672860.db2.gz IZZOMPYMHOSSHG-LOYHVIPDSA-N 0 0 539.705 6.196 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225318869 571672887 /nfs/dbraw/zinc/67/28/87/571672887.db2.gz YFFMXYWDOGDUJG-IHLOFXLRSA-N 0 0 539.705 6.196 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225319042 571672906 /nfs/dbraw/zinc/67/29/06/571672906.db2.gz IZZOMPYMHOSSHG-KYJUHHDHSA-N 0 0 539.705 6.196 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NC(C)=O ZINC000225319245 571673291 /nfs/dbraw/zinc/67/32/91/571673291.db2.gz CMIFUKXPJCWJKY-NSOVKSMOSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NC(C)=O ZINC000225319786 571674410 /nfs/dbraw/zinc/67/44/10/571674410.db2.gz NZWFKGWPQAWDHD-NSOVKSMOSA-N 0 0 590.547 6.396 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320940 571676310 /nfs/dbraw/zinc/67/63/10/571676310.db2.gz SCQIFQAQUFGJDT-ACHIHNKUSA-N 0 0 582.774 6.479 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NC(C)=O ZINC000225323809 571679932 /nfs/dbraw/zinc/67/99/32/571679932.db2.gz ZHDVMJOITLMBEK-IZLXSDGUSA-N 0 0 526.666 5.337 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225332751 571690976 /nfs/dbraw/zinc/69/09/76/571690976.db2.gz HWFYVSKRXXVCND-FQLXRVMXSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225335970 571694124 /nfs/dbraw/zinc/69/41/24/571694124.db2.gz JWJPZLRBAPGARS-IZLXSDGUSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225336176 571694168 /nfs/dbraw/zinc/69/41/68/571694168.db2.gz IDEMLFXNNNERIT-AJQTZOPKSA-N 0 0 567.759 6.290 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000225344167 571703416 /nfs/dbraw/zinc/70/34/16/571703416.db2.gz JGFVWFCUTFDIAO-IZLXSDGUSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225344032 571703499 /nfs/dbraw/zinc/70/34/99/571703499.db2.gz JMJUGCZVNIKPGA-IZLXSDGUSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000225344594 571704158 /nfs/dbraw/zinc/70/41/58/571704158.db2.gz OLRLERVVYTYZSK-IZLXSDGUSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225344861 571704679 /nfs/dbraw/zinc/70/46/79/571704679.db2.gz VZEHUGHOGFSXCL-VSGBNLITSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225346241 571706387 /nfs/dbraw/zinc/70/63/87/571706387.db2.gz UUBOIICNCPAODA-KYJUHHDHSA-N 0 0 525.722 6.519 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225346169 571706389 /nfs/dbraw/zinc/70/63/89/571706389.db2.gz UUBOIICNCPAODA-IHLOFXLRSA-N 0 0 525.722 6.519 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225358965 571720120 /nfs/dbraw/zinc/72/01/20/571720120.db2.gz VLCYMLTWEYPOTC-WDYNHAJCSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225368961 571733490 /nfs/dbraw/zinc/73/34/90/571733490.db2.gz HGJMKMCRVAGRGP-JSOSNVBQSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1F ZINC000225369607 571734620 /nfs/dbraw/zinc/73/46/20/571734620.db2.gz MMKWJOOZCKLMLM-XZWHSSHBSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225370614 571735605 /nfs/dbraw/zinc/73/56/05/571735605.db2.gz UFJHKIPLXQTIFQ-LOYHVIPDSA-N 0 0 587.587 7.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225370339 571735686 /nfs/dbraw/zinc/73/56/86/571735686.db2.gz JIVUQALJDXRYAY-IHLOFXLRSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225372324 571737872 /nfs/dbraw/zinc/73/78/72/571737872.db2.gz WRBDPVZICBCQOK-XZWHSSHBSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225372698 571738578 /nfs/dbraw/zinc/73/85/78/571738578.db2.gz XNYASLQIDIWCJM-ROJLCIKYSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225374674 571740488 /nfs/dbraw/zinc/74/04/88/571740488.db2.gz SZFLWXUECSVZGV-XZWHSSHBSA-N 0 0 523.706 6.691 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374496 571740512 /nfs/dbraw/zinc/74/05/12/571740512.db2.gz RHTPQMARNIISSY-VTIYRKAUSA-N 0 0 550.772 7.858 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225374615 571740567 /nfs/dbraw/zinc/74/05/67/571740567.db2.gz SZFLWXUECSVZGV-LOYHVIPDSA-N 0 0 523.706 6.691 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260851046 571750675 /nfs/dbraw/zinc/75/06/75/571750675.db2.gz CQWWPYGXCSPRJC-IZLXSDGUSA-N 0 0 529.685 5.854 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1OC ZINC000260851032 571750704 /nfs/dbraw/zinc/75/07/04/571750704.db2.gz CEUZEPWVHPRSKA-FQLXRVMXSA-N 0 0 576.166 6.901 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851305 571751868 /nfs/dbraw/zinc/75/18/68/571751868.db2.gz OLHJXDCLPNKMHJ-NSOVKSMOSA-N 0 0 529.685 5.854 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NS(C)(=O)=O ZINC000260851302 571751889 /nfs/dbraw/zinc/75/18/89/571751889.db2.gz NHUXYZFWZYHOEJ-RRPNLBNLSA-N 0 0 563.749 5.271 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1OC ZINC000260851319 571752012 /nfs/dbraw/zinc/75/20/12/571752012.db2.gz PPUFZXBIMHVHOF-FQLXRVMXSA-N 0 0 541.721 6.248 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1OC ZINC000260852617 571752996 /nfs/dbraw/zinc/75/29/96/571752996.db2.gz UWSGBNABOFZEBO-FQLXRVMXSA-N 0 0 557.720 5.484 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260852496 571753024 /nfs/dbraw/zinc/75/30/24/571753024.db2.gz QGYPTMZYIKFCOK-WUFINQPMSA-N 0 0 596.584 6.782 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21 ZINC000260852513 571753029 /nfs/dbraw/zinc/75/30/29/571753029.db2.gz QRCDRJBOEUWTKN-IZLXSDGUSA-N 0 0 533.141 7.331 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260852700 571753468 /nfs/dbraw/zinc/75/34/68/571753468.db2.gz YFTGVUNPHMUDIT-XZWHSSHBSA-N 0 0 574.194 6.985 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225389771 571758543 /nfs/dbraw/zinc/75/85/43/571758543.db2.gz AMFDMZCXAVGZPE-IZZNHLLZSA-N 0 0 568.124 5.397 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000225393182 571762363 /nfs/dbraw/zinc/76/23/63/571762363.db2.gz KASBELIZGYHIFR-FTJBHMTQSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225394015 571762869 /nfs/dbraw/zinc/76/28/69/571762869.db2.gz BHQPIBYGFTZNCW-UIOOFZCWSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225393699 571762881 /nfs/dbraw/zinc/76/28/81/571762881.db2.gz SNRROXYFJFQGNZ-KAYWLYCHSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F ZINC000225394568 571763877 /nfs/dbraw/zinc/76/38/77/571763877.db2.gz GDSUAZIOESBHMT-UIOOFZCWSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225395339 571764505 /nfs/dbraw/zinc/76/45/05/571764505.db2.gz BYAGOOGOESXLGP-CLJLJLNGSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225397930 571767786 /nfs/dbraw/zinc/76/77/86/571767786.db2.gz MYIMJDVIILHRSO-IZZNHLLZSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225398658 571768406 /nfs/dbraw/zinc/76/84/06/571768406.db2.gz UJURFDVORJGTTF-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400212 571769911 /nfs/dbraw/zinc/76/99/11/571769911.db2.gz YWIXDRQSEAPSDZ-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225424835 571791064 /nfs/dbraw/zinc/79/10/64/571791064.db2.gz FCSXPISCVVNYPB-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225424498 571791184 /nfs/dbraw/zinc/79/11/84/571791184.db2.gz YGVVXGKUSKWEER-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225424549 571791201 /nfs/dbraw/zinc/79/12/01/571791201.db2.gz NAKFJGCBSSHFBG-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426180 571792259 /nfs/dbraw/zinc/79/22/59/571792259.db2.gz VGAOGDDXJXNAIB-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426856 571793506 /nfs/dbraw/zinc/79/35/06/571793506.db2.gz CLRLLRYBCQIJCA-RRPNLBNLSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428174 571795044 /nfs/dbraw/zinc/79/50/44/571795044.db2.gz OCSVDXCEUMUMSO-WDYNHAJCSA-N 0 0 590.775 5.112 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428342 571795790 /nfs/dbraw/zinc/79/57/90/571795790.db2.gz PTVYNSPXEIHDPG-IOWSJCHKSA-N 0 0 618.829 5.893 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225429296 571797134 /nfs/dbraw/zinc/79/71/34/571797134.db2.gz KNQSFOYQAJFIJL-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429710 571797476 /nfs/dbraw/zinc/79/74/76/571797476.db2.gz ZAXIGLCVAKGPII-LMSSTIIKSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225430380 571797900 /nfs/dbraw/zinc/79/79/00/571797900.db2.gz BFFDSSPEACIQDY-IZLXSDGUSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430913 571798449 /nfs/dbraw/zinc/79/84/49/571798449.db2.gz MCBAEDRELUNCAC-IZLXSDGUSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225431224 571798837 /nfs/dbraw/zinc/79/88/37/571798837.db2.gz SMCJFULAOUJGQR-NSOVKSMOSA-N 0 0 612.177 5.708 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C ZINC000225452858 571824525 /nfs/dbraw/zinc/82/45/25/571824525.db2.gz LFIAEPGSROMQQD-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1O ZINC000225455201 571826644 /nfs/dbraw/zinc/82/66/44/571826644.db2.gz ZYKYVJUOPDBVPB-SXOMAYOGSA-N 0 0 547.706 5.052 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1O ZINC000225455163 571826820 /nfs/dbraw/zinc/82/68/20/571826820.db2.gz ZYKYVJUOPDBVPB-KAYWLYCHSA-N 0 0 547.706 5.052 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458643 571830615 /nfs/dbraw/zinc/83/06/15/571830615.db2.gz UEKJLGZGAVJQCC-PQHLKRTFSA-N 0 0 573.788 6.217 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000260909826 571836616 /nfs/dbraw/zinc/83/66/16/571836616.db2.gz ADOMMSHWQMRIAH-HBFWWTAJSA-N 0 0 620.694 8.680 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NS(C)(=O)=O ZINC000225473232 571843048 /nfs/dbraw/zinc/84/30/48/571843048.db2.gz KMXAKVYJRISFHL-SVBPBHIXSA-N 0 0 598.194 5.924 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260916196 571848091 /nfs/dbraw/zinc/84/80/91/571848091.db2.gz HWTDBVAVLUBLIE-RRPNLBNLSA-N 0 0 535.113 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000260916476 571848476 /nfs/dbraw/zinc/84/84/76/571848476.db2.gz JBXLZHOAKOBGNJ-SMTPQVMYSA-N 0 0 639.096 9.109 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260916488 571848510 /nfs/dbraw/zinc/84/85/10/571848510.db2.gz JCEMHSTUEWODJH-KAYWLYCHSA-N 0 0 503.115 7.106 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)cc21 ZINC000260916445 571848567 /nfs/dbraw/zinc/84/85/67/571848567.db2.gz IZCVDTQCHLZRSX-IZZNHLLZSA-N 0 0 526.150 5.062 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000260916421 571848626 /nfs/dbraw/zinc/84/86/26/571848626.db2.gz IUKPIKVTZYFSDC-HBFWWTAJSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NS(C)(=O)=O ZINC000225479513 571849601 /nfs/dbraw/zinc/84/96/01/571849601.db2.gz ZKFDRJFXWVTHGB-SXOMAYOGSA-N 0 0 615.703 6.065 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000260919489 571853177 /nfs/dbraw/zinc/85/31/77/571853177.db2.gz LQTIHAIMVIIDEN-FGCOXFRFSA-N 0 0 511.489 5.403 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21 ZINC000260919472 571853246 /nfs/dbraw/zinc/85/32/46/571853246.db2.gz LKIMJHQFNJLDRA-RPBOFIJWSA-N 0 0 509.506 7.197 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NS(C)(=O)=O ZINC000225482744 571853563 /nfs/dbraw/zinc/85/35/63/571853563.db2.gz QWEWETRRFBASCD-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000260919518 571853629 /nfs/dbraw/zinc/85/36/29/571853629.db2.gz LWFCJIHVNVMSPL-HBFWWTAJSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)c1 ZINC000260921163 571856439 /nfs/dbraw/zinc/85/64/39/571856439.db2.gz ORARJJUQJKGVKI-SNRDUXDUSA-N 0 0 600.232 7.811 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260921268 571856996 /nfs/dbraw/zinc/85/69/96/571856996.db2.gz PBZZIMBIDDCAAL-LQJZCPKCSA-N 0 0 624.210 7.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000260922609 571859665 /nfs/dbraw/zinc/85/96/65/571859665.db2.gz QLSQHPRVRUCENB-HBFWWTAJSA-N 0 0 588.196 7.941 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260925533 571864534 /nfs/dbraw/zinc/86/45/34/571864534.db2.gz VJVGAIGCLLECQZ-BJUYILBYSA-N 0 0 645.229 7.719 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21 ZINC000260925508 571864559 /nfs/dbraw/zinc/86/45/59/571864559.db2.gz UTGMTRWIDBNMFI-NSOVKSMOSA-N 0 0 517.142 7.667 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)c1 ZINC000260925637 571865122 /nfs/dbraw/zinc/86/51/22/571865122.db2.gz WIUHPIAHLSPGBS-SNRDUXDUSA-N 0 0 628.242 7.589 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260925668 571865126 /nfs/dbraw/zinc/86/51/26/571865126.db2.gz WNWDXIKKFZTPES-VSGBNLITSA-N 0 0 583.585 7.222 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260926911 571867983 /nfs/dbraw/zinc/86/79/83/571867983.db2.gz WXSNEIOQYBPBAR-QGKSIAKZSA-N 0 0 600.232 7.811 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260927021 571868060 /nfs/dbraw/zinc/86/80/60/571868060.db2.gz XUDVFMNTUBMCFE-SNRDUXDUSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000260927096 571868157 /nfs/dbraw/zinc/86/81/57/571868157.db2.gz YCSWMEASNRMIPW-FGCOXFRFSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225500567 571870637 /nfs/dbraw/zinc/87/06/37/571870637.db2.gz SCZRQTVLVARNMU-KAYWLYCHSA-N 0 0 532.069 5.459 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225503880 571874294 /nfs/dbraw/zinc/87/42/94/571874294.db2.gz SZUAIQFLJVMQNJ-SXOMAYOGSA-N 0 0 549.622 6.119 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225505352 571875474 /nfs/dbraw/zinc/87/54/74/571875474.db2.gz NUOQOVWHYMWOPT-KAYWLYCHSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225505164 571875575 /nfs/dbraw/zinc/87/55/75/571875575.db2.gz OPIALAFEEXEKJK-SVBPBHIXSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225505568 571875937 /nfs/dbraw/zinc/87/59/37/571875937.db2.gz PPBUYYXNSVYNKC-RRPNLBNLSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225505507 571876019 /nfs/dbraw/zinc/87/60/19/571876019.db2.gz PPBUYYXNSVYNKC-KAYWLYCHSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225507082 571878206 /nfs/dbraw/zinc/87/82/06/571878206.db2.gz WMVNDZYKRKFMIY-SVBPBHIXSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225507717 571878497 /nfs/dbraw/zinc/87/84/97/571878497.db2.gz WYCNLLMEWVGPOI-FQLXRVMXSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225507530 571878696 /nfs/dbraw/zinc/87/86/96/571878696.db2.gz BGMKTZNUQAZWLD-VMPREFPWSA-N 0 0 509.679 5.717 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508316 571879566 /nfs/dbraw/zinc/87/95/66/571879566.db2.gz BYQOSUXODIOCCH-VSGBNLITSA-N 0 0 556.648 5.017 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509051 571880433 /nfs/dbraw/zinc/88/04/33/571880433.db2.gz SWQOSSJOEBBVJR-VSGBNLITSA-N 0 0 556.648 5.017 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509297 571880454 /nfs/dbraw/zinc/88/04/54/571880454.db2.gz SGLIGKHFBGAZCL-JDXGNMNLSA-N 0 0 523.706 5.971 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225521984 571890378 /nfs/dbraw/zinc/89/03/78/571890378.db2.gz VMKSIYRVNDZOPV-NSOVKSMOSA-N 0 0 563.649 6.509 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225528414 571894942 /nfs/dbraw/zinc/89/49/42/571894942.db2.gz HSCOCEOMPDZZCV-KYJUHHDHSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225528294 571895074 /nfs/dbraw/zinc/89/50/74/571895074.db2.gz UYSOQYBCTXPRHB-KYJUHHDHSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225528810 571895416 /nfs/dbraw/zinc/89/54/16/571895416.db2.gz ZQIYOQWCLNKZBX-IZLXSDGUSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000225529442 571896398 /nfs/dbraw/zinc/89/63/98/571896398.db2.gz GADQMCIJWAFRRT-IZLXSDGUSA-N 0 0 511.651 5.196 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000225529467 571896482 /nfs/dbraw/zinc/89/64/82/571896482.db2.gz GADQMCIJWAFRRT-WUFINQPMSA-N 0 0 511.651 5.196 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 ZINC000225529426 571896424 /nfs/dbraw/zinc/89/64/24/571896424.db2.gz GADQMCIJWAFRRT-VSGBNLITSA-N 0 0 511.651 5.196 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530204 571897200 /nfs/dbraw/zinc/89/72/00/571897200.db2.gz SCMSIGMQUPWAHE-ACHIHNKUSA-N 0 0 566.775 6.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225530318 571897342 /nfs/dbraw/zinc/89/73/42/571897342.db2.gz WIOATVDHBAZUQB-NSOVKSMOSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225530833 571897764 /nfs/dbraw/zinc/89/77/64/571897764.db2.gz DEVQWPWVBQGESX-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225531074 571897786 /nfs/dbraw/zinc/89/77/86/571897786.db2.gz JHMAZXLRDDJYHM-SMCANUKXSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531298 571898307 /nfs/dbraw/zinc/89/83/07/571898307.db2.gz FRSMQUZKQNWICC-VMPREFPWSA-N 0 0 570.675 5.407 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000225532105 571898702 /nfs/dbraw/zinc/89/87/02/571898702.db2.gz JWPRVOHTHGAVBB-IZLXSDGUSA-N 0 0 510.667 5.194 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531732 571898773 /nfs/dbraw/zinc/89/87/73/571898773.db2.gz GZNLMDKICHZVOT-WDYNHAJCSA-N 0 0 560.123 6.152 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225539706 571904870 /nfs/dbraw/zinc/90/48/70/571904870.db2.gz ZWJDVEGFAMKASH-FQLXRVMXSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225543026 571907570 /nfs/dbraw/zinc/90/75/70/571907570.db2.gz HUPYIVHSLOUPJW-KYJUHHDHSA-N 0 0 574.194 6.930 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225549292 571911983 /nfs/dbraw/zinc/91/19/83/571911983.db2.gz WPUYWPFZQSALSW-KYJUHHDHSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225549700 571912610 /nfs/dbraw/zinc/91/26/10/571912610.db2.gz FEFAJQXSAQYIIS-LOYHVIPDSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225550273 571913181 /nfs/dbraw/zinc/91/31/81/571913181.db2.gz REZMUUXCONBPCB-LOYHVIPDSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225551207 571914247 /nfs/dbraw/zinc/91/42/47/571914247.db2.gz BAIZUAVBOLPZOV-ROJLCIKYSA-N 0 0 566.775 6.119 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225553732 571916202 /nfs/dbraw/zinc/91/62/02/571916202.db2.gz ROOFUQUETDTCFS-VMPREFPWSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225553585 571916221 /nfs/dbraw/zinc/91/62/21/571916221.db2.gz OJTIQZYZWRLHPA-KYJUHHDHSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000225561677 571923565 /nfs/dbraw/zinc/92/35/65/571923565.db2.gz TZULTSTVVOURSB-JSOSNVBQSA-N 0 0 581.742 5.839 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000225561422 571923590 /nfs/dbraw/zinc/92/35/90/571923590.db2.gz DCCXNILTLAAVQN-IHLOFXLRSA-N 0 0 539.705 5.753 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000225565273 571927374 /nfs/dbraw/zinc/92/73/74/571927374.db2.gz UTNUDIQYYOKRQF-WDYNHAJCSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C ZINC000225569614 571931434 /nfs/dbraw/zinc/93/14/34/571931434.db2.gz JHUHPRBTTMJZLG-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C ZINC000225569631 571931471 /nfs/dbraw/zinc/93/14/71/571931471.db2.gz JHUHPRBTTMJZLG-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225569957 571931714 /nfs/dbraw/zinc/93/17/14/571931714.db2.gz MZJPRVUYZTYGND-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225570999 571932190 /nfs/dbraw/zinc/93/21/90/571932190.db2.gz ZURSIRDBKILKAA-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Cl ZINC000225570697 571932393 /nfs/dbraw/zinc/93/23/93/571932393.db2.gz FLHVHSMHZXAUIW-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225572379 571933462 /nfs/dbraw/zinc/93/34/62/571933462.db2.gz FVEUOVVPDRFXLE-FIRIVFDPSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225572975 571933980 /nfs/dbraw/zinc/93/39/80/571933980.db2.gz KUKDDOSEVIDSGD-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225573144 571934045 /nfs/dbraw/zinc/93/40/45/571934045.db2.gz PTVDVXONPGHYKK-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225572943 571934096 /nfs/dbraw/zinc/93/40/96/571934096.db2.gz KUKDDOSEVIDSGD-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225573362 571934121 /nfs/dbraw/zinc/93/41/21/571934121.db2.gz HTPMJSSWMBEKHL-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225573918 571934654 /nfs/dbraw/zinc/93/46/54/571934654.db2.gz PXAPPHFHBWCDKB-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225573886 571934662 /nfs/dbraw/zinc/93/46/62/571934662.db2.gz PXAPPHFHBWCDKB-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225574801 571935002 /nfs/dbraw/zinc/93/50/02/571935002.db2.gz GYNXTMLRIPNGFT-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ncccc1C ZINC000225574938 571935481 /nfs/dbraw/zinc/93/54/81/571935481.db2.gz RBAFOOOJNAJTGX-WUFINQPMSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ncccc1C ZINC000225574974 571935545 /nfs/dbraw/zinc/93/55/45/571935545.db2.gz RBAFOOOJNAJTGX-NSOVKSMOSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225590418 571946686 /nfs/dbraw/zinc/94/66/86/571946686.db2.gz KZWUODKLJZHNJM-VSGBNLITSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Cl ZINC000225591277 571947442 /nfs/dbraw/zinc/94/74/42/571947442.db2.gz RGJJWLIHZSCQFR-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225591866 571947716 /nfs/dbraw/zinc/94/77/16/571947716.db2.gz YEXLKWHRUKHBQZ-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225594171 571949636 /nfs/dbraw/zinc/94/96/36/571949636.db2.gz GUTIHICPBLKKOF-URLMMPGGSA-N 0 0 557.651 5.358 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595334 571950284 /nfs/dbraw/zinc/95/02/84/571950284.db2.gz IMXLGIXAUHXWHQ-IGYGKHONSA-N 0 0 555.723 6.500 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595138 571950383 /nfs/dbraw/zinc/95/03/83/571950383.db2.gz LFVNBGBBOLXUAX-VMPREFPWSA-N 0 0 578.113 6.292 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595253 571950470 /nfs/dbraw/zinc/95/04/70/571950470.db2.gz ASGWHKKVBJQVQY-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc2ccccc21 ZINC000225610351 571962582 /nfs/dbraw/zinc/96/25/82/571962582.db2.gz PJQIALNIHGZDKL-ROJLCIKYSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cc1 ZINC000225610944 571962988 /nfs/dbraw/zinc/96/29/88/571962988.db2.gz FTGMKNGULKECHD-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225611321 571963344 /nfs/dbraw/zinc/96/33/44/571963344.db2.gz QSHZXMRAXLRREE-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1O ZINC000225612543 571964193 /nfs/dbraw/zinc/96/41/93/571964193.db2.gz CYTJJVKBAWBSQU-NSOVKSMOSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225612813 571964693 /nfs/dbraw/zinc/96/46/93/571964693.db2.gz CKWOFIIPNFOYKD-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225612773 571964723 /nfs/dbraw/zinc/96/47/23/571964723.db2.gz CVWIRODEMAWDLP-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225612838 571964792 /nfs/dbraw/zinc/96/47/92/571964792.db2.gz CKWOFIIPNFOYKD-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cc(C)cc1C ZINC000225614585 571965517 /nfs/dbraw/zinc/96/55/17/571965517.db2.gz JRKBOLCVZPCNJC-IGYGKHONSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225614485 571965586 /nfs/dbraw/zinc/96/55/86/571965586.db2.gz CTPUOGXLQPVSNY-VMPREFPWSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1C ZINC000225615019 571966019 /nfs/dbraw/zinc/96/60/19/571966019.db2.gz LQFNITZBXLIOHQ-FQLXRVMXSA-N 0 0 562.114 6.591 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccn1 ZINC000225615727 571966317 /nfs/dbraw/zinc/96/63/17/571966317.db2.gz RUJYEZXWNSTBML-NSOVKSMOSA-N 0 0 528.657 5.333 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615288 571966330 /nfs/dbraw/zinc/96/63/30/571966330.db2.gz XNNHHLBYNKVDEB-WDYNHAJCSA-N 0 0 578.113 6.292 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225622051 571972922 /nfs/dbraw/zinc/97/29/22/571972922.db2.gz JGMUVVPEADVKDF-NSOVKSMOSA-N 0 0 529.641 5.330 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225622300 571972948 /nfs/dbraw/zinc/97/29/48/571972948.db2.gz OKICZPVZYFGOQA-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225622342 571973264 /nfs/dbraw/zinc/97/32/64/571973264.db2.gz OKICZPVZYFGOQA-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C ZINC000225628831 571980544 /nfs/dbraw/zinc/98/05/44/571980544.db2.gz OPLQJFUYZPGRBK-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225629091 571981004 /nfs/dbraw/zinc/98/10/04/571981004.db2.gz ATHBSDONGLUPSB-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(F)c1 ZINC000225629588 571981383 /nfs/dbraw/zinc/98/13/83/571981383.db2.gz NMNQNWUFHXCYAU-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225629317 571981542 /nfs/dbraw/zinc/98/15/42/571981542.db2.gz RVSILIYDJFXCPJ-AJQTZOPKSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225629981 571982003 /nfs/dbraw/zinc/98/20/03/571982003.db2.gz OTDSFDAQLYPAIZ-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1O ZINC000225630461 571982262 /nfs/dbraw/zinc/98/22/62/571982262.db2.gz CCUKWGBBHQIWCD-IHLOFXLRSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225630346 571982322 /nfs/dbraw/zinc/98/23/22/571982322.db2.gz RFVVBTQZUYMIPC-IHLOFXLRSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1O ZINC000225630434 571982440 /nfs/dbraw/zinc/98/24/40/571982440.db2.gz CCUKWGBBHQIWCD-LOYHVIPDSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225630569 571982740 /nfs/dbraw/zinc/98/27/40/571982740.db2.gz QULRZHDIXFCTFI-IHLOFXLRSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1O ZINC000225630482 571982750 /nfs/dbraw/zinc/98/27/50/571982750.db2.gz CCUKWGBBHQIWCD-XZWHSSHBSA-N 0 0 539.705 5.813 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225630726 571982906 /nfs/dbraw/zinc/98/29/06/571982906.db2.gz JABYQRBTWIIPOP-CONSDPRKSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225632136 571984110 /nfs/dbraw/zinc/98/41/10/571984110.db2.gz OOUPGLHAJRMKCE-CONSDPRKSA-N 0 0 567.715 5.836 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225632662 571984561 /nfs/dbraw/zinc/98/45/61/571984561.db2.gz QEHHXDCHPBOBBX-IOWSJCHKSA-N 0 0 572.178 7.069 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632880 571985036 /nfs/dbraw/zinc/98/50/36/571985036.db2.gz RJZNYAKTSXWRJY-IOWSJCHKSA-N 0 0 588.177 6.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225633426 571985542 /nfs/dbraw/zinc/98/55/42/571985542.db2.gz VGEUVGDAJWJEGC-IHLOFXLRSA-N 0 0 538.721 5.811 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225639370 571990767 /nfs/dbraw/zinc/99/07/67/571990767.db2.gz YLRGJAPLFOKUHG-FIRIVFDPSA-N 0 0 581.742 5.894 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225639542 571990835 /nfs/dbraw/zinc/99/08/35/571990835.db2.gz XTJJBKVRWIVLKE-CONSDPRKSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225644479 571993590 /nfs/dbraw/zinc/99/35/90/571993590.db2.gz BRABNLITQIZKGL-URLMMPGGSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000225646374 571995106 /nfs/dbraw/zinc/99/51/06/571995106.db2.gz KJCHXVIWWOEKSK-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C ZINC000225646527 571995581 /nfs/dbraw/zinc/99/55/81/571995581.db2.gz CXNLEVSPLXJTEA-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1F ZINC000225647102 571995937 /nfs/dbraw/zinc/99/59/37/571995937.db2.gz NOKXRKKJXVTDQO-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225647580 571996466 /nfs/dbraw/zinc/99/64/66/571996466.db2.gz UINABKBJZVNCGS-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000225647733 571996471 /nfs/dbraw/zinc/99/64/71/571996471.db2.gz WZHDMFIPWGONFM-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225647883 571996995 /nfs/dbraw/zinc/99/69/95/571996995.db2.gz JHUHJWPFTUBBNP-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225649203 571998259 /nfs/dbraw/zinc/99/82/59/571998259.db2.gz UCUQYIHEALMSQU-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225649606 571998602 /nfs/dbraw/zinc/99/86/02/571998602.db2.gz BFZXBXXZHULKFM-IGYGKHONSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650569 571998924 /nfs/dbraw/zinc/99/89/24/571998924.db2.gz KCEBPEVAZOGAEF-XZWHSSHBSA-N 0 0 574.150 6.461 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225658027 572004409 /nfs/dbraw/zinc/00/44/09/572004409.db2.gz OOYDDYUHPXMNGE-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225660433 572005605 /nfs/dbraw/zinc/00/56/05/572005605.db2.gz NBUIGFDBAPLNAJ-FQLXRVMXSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225661100 572006205 /nfs/dbraw/zinc/00/62/05/572006205.db2.gz MJZXGQWHHTXGFE-WDYNHAJCSA-N 0 0 541.721 5.723 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225663161 572007923 /nfs/dbraw/zinc/00/79/23/572007923.db2.gz IVVNIABWODWBFO-FQLXRVMXSA-N 0 0 576.122 5.858 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225665005 572008648 /nfs/dbraw/zinc/00/86/48/572008648.db2.gz VFRFHLWLLXNUTI-LQJZCPKCSA-N 0 0 575.738 6.652 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225666063 572009137 /nfs/dbraw/zinc/00/91/37/572009137.db2.gz AQYDMTNNSCXERT-IOWSJCHKSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225666298 572009437 /nfs/dbraw/zinc/00/94/37/572009437.db2.gz XHGSWVZORIKIAD-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225666499 572009448 /nfs/dbraw/zinc/00/94/48/572009448.db2.gz GNIJGCDRHGLBRH-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225667532 572009843 /nfs/dbraw/zinc/00/98/43/572009843.db2.gz QTCNKJXSASMCGG-URLMMPGGSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225668929 572010681 /nfs/dbraw/zinc/01/06/81/572010681.db2.gz SOTQWBLQZVZDPI-JSOSNVBQSA-N 0 0 553.732 6.116 40 10 KKCBRN C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225670581 572011820 /nfs/dbraw/zinc/01/18/20/572011820.db2.gz MRPDAPMQVLHZSI-PKTZIBPZSA-N 0 0 513.751 7.499 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225670413 572011928 /nfs/dbraw/zinc/01/19/28/572011928.db2.gz BJLROBYZDMZIEB-BHYZAODMSA-N 0 0 567.759 6.370 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)cc1 ZINC000225677606 572016899 /nfs/dbraw/zinc/01/68/99/572016899.db2.gz CFWUTMWXUKBVNJ-WDYNHAJCSA-N 0 0 541.677 5.199 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225680243 572018354 /nfs/dbraw/zinc/01/83/54/572018354.db2.gz ONADHEWGTNDEGN-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225680281 572018391 /nfs/dbraw/zinc/01/83/91/572018391.db2.gz ONADHEWGTNDEGN-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225680381 572018689 /nfs/dbraw/zinc/01/86/89/572018689.db2.gz ZOSPGLPLPFBYPS-JHOUSYSJSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225686435 572022904 /nfs/dbraw/zinc/02/29/04/572022904.db2.gz SGPSCILORVREGM-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1O ZINC000225686552 572023100 /nfs/dbraw/zinc/02/31/00/572023100.db2.gz OIIGIVIBVXBENT-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225687807 572024031 /nfs/dbraw/zinc/02/40/31/572024031.db2.gz VKSFVIJJMIOINQ-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225688015 572024057 /nfs/dbraw/zinc/02/40/57/572024057.db2.gz VONPAERYPWBXNY-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225688627 572024282 /nfs/dbraw/zinc/02/42/82/572024282.db2.gz OVYZJENEHAZNRO-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688561 572024456 /nfs/dbraw/zinc/02/44/56/572024456.db2.gz KDDCRDUNWCXYSY-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225689367 572024782 /nfs/dbraw/zinc/02/47/82/572024782.db2.gz LJMSYCKJMNGUKN-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225689552 572025363 /nfs/dbraw/zinc/02/53/63/572025363.db2.gz QMMLOOQJGQLXAZ-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)cc1 ZINC000225696408 572028850 /nfs/dbraw/zinc/02/88/50/572028850.db2.gz JCRHPHIELWACRW-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225696794 572029125 /nfs/dbraw/zinc/02/91/25/572029125.db2.gz VBTFEBYUPSTSHE-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225699090 572030253 /nfs/dbraw/zinc/03/02/53/572030253.db2.gz AIMXAWITSVARSF-ZWXJPIIXSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000225704970 572035592 /nfs/dbraw/zinc/03/55/92/572035592.db2.gz KLOHAVXDVKFYSO-AJQTZOPKSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1 ZINC000225705206 572035835 /nfs/dbraw/zinc/03/58/35/572035835.db2.gz RIWDFZGOJFHTSJ-ACHIHNKUSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000225705334 572035885 /nfs/dbraw/zinc/03/58/85/572035885.db2.gz SGIYNITVEGBRPE-ACHIHNKUSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cccc1C ZINC000225707212 572037542 /nfs/dbraw/zinc/03/75/42/572037542.db2.gz XZEWGJPYRRGRIX-ZFEZZJPFSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225707807 572038005 /nfs/dbraw/zinc/03/80/05/572038005.db2.gz ABVQIVBZSPEYMI-CZNDPXEESA-N 0 0 620.735 6.560 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225707883 572038066 /nfs/dbraw/zinc/03/80/66/572038066.db2.gz ABVQIVBZSPEYMI-LQJZCPKCSA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1C ZINC000225708043 572038168 /nfs/dbraw/zinc/03/81/68/572038168.db2.gz ODKLTHUAYQONLN-CZNDPXEESA-N 0 0 594.184 7.605 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708576 572038880 /nfs/dbraw/zinc/03/88/80/572038880.db2.gz OGXIJLNKLYLDPN-LRHLLKFHSA-N 0 0 587.793 7.514 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225715354 572043804 /nfs/dbraw/zinc/04/38/04/572043804.db2.gz ZSMZVRLVXKRLGF-ROJLCIKYSA-N 0 0 561.711 6.344 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225715408 572044068 /nfs/dbraw/zinc/04/40/68/572044068.db2.gz ZSMZVRLVXKRLGF-AJQTZOPKSA-N 0 0 561.711 6.344 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225715437 572044156 /nfs/dbraw/zinc/04/41/56/572044156.db2.gz ZSMZVRLVXKRLGF-ACHIHNKUSA-N 0 0 561.711 6.344 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000225720245 572046366 /nfs/dbraw/zinc/04/63/66/572046366.db2.gz KQAPVUXVERAMHG-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225792545 572069693 /nfs/dbraw/zinc/06/96/93/572069693.db2.gz NMHGOIFVMAFHRP-HXUWFJFHSA-N 0 0 556.153 6.041 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000225861536 572078524 /nfs/dbraw/zinc/07/85/24/572078524.db2.gz PKYUFWTXBKUKCC-BZSPEZQHSA-N 0 0 519.667 5.404 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000225865473 572079171 /nfs/dbraw/zinc/07/91/71/572079171.db2.gz XGEIIFIGVLFPIW-GDLZYMKVSA-N 0 0 549.737 5.411 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954059 572086534 /nfs/dbraw/zinc/08/65/34/572086534.db2.gz CRYGZKLYSUKGTE-RUZDIDTESA-N 0 0 570.811 5.269 40 10 KKCBRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954245 572087160 /nfs/dbraw/zinc/08/71/60/572087160.db2.gz OVPZYQKXHLWZPQ-ZRZAMGCNSA-N 0 0 521.779 5.426 40 10 KKCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000263600850 572128826 /nfs/dbraw/zinc/12/88/26/572128826.db2.gz KLUNJWMALJPAQN-UHFFFAOYSA-N 0 0 844.954 6.871 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000226094097 572134855 /nfs/dbraw/zinc/13/48/55/572134855.db2.gz SHFZVHWCUVKGBV-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000226092365 572134922 /nfs/dbraw/zinc/13/49/22/572134922.db2.gz CNWCIBDJUORESK-OEAKJJBVSA-N 0 0 590.948 7.495 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408526476 572157710 /nfs/dbraw/zinc/15/77/10/572157710.db2.gz CECIDYUKPIKEGC-HAHDFKILSA-N 0 0 583.368 7.706 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408527517 572160881 /nfs/dbraw/zinc/16/08/81/572160881.db2.gz FYQGGVMGZKNLOV-XLNRJJMWSA-N 0 0 600.521 5.693 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000408530209 572170908 /nfs/dbraw/zinc/17/09/08/572170908.db2.gz LHKXLWZKNATHCX-NSIKDUERSA-N 0 0 503.212 5.419 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408532253 572179255 /nfs/dbraw/zinc/17/92/55/572179255.db2.gz SZCSTBKQCAOKIY-AUWJEWJLSA-N 0 0 503.212 5.419 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408535354 572188346 /nfs/dbraw/zinc/18/83/46/572188346.db2.gz SKKBGGIRTHHFGB-HMAPJEAMSA-N 0 0 604.324 6.039 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O ZINC000408535535 572188727 /nfs/dbraw/zinc/18/87/27/572188727.db2.gz TWAMIZLMVJSRSE-YQYKVWLJSA-N 0 0 615.734 5.551 40 10 KKCBRN COc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408536705 572192308 /nfs/dbraw/zinc/19/23/08/572192308.db2.gz ALQSPZOEMQBIFI-UHFFFAOYSA-N 0 0 632.330 5.293 40 10 KKCBRN COc1cc(COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408537388 572194217 /nfs/dbraw/zinc/19/42/17/572194217.db2.gz DJIUXFMIECEFBG-UHFFFAOYSA-N 0 0 645.111 8.090 40 10 KKCBRN CCCCCCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408539137 572201078 /nfs/dbraw/zinc/20/10/78/572201078.db2.gz UBQZUQONVZVSPK-UHFFFAOYSA-N 0 0 547.449 6.992 40 10 KKCBRN COc1cc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540449 572205809 /nfs/dbraw/zinc/20/58/09/572205809.db2.gz RZLPKLRZCUMJCB-YDZHTSKRSA-N 0 0 528.051 6.004 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)ccc1OCc1ccccc1 ZINC000408540830 572206861 /nfs/dbraw/zinc/20/68/61/572206861.db2.gz WFOCCKIQVLGSON-QRQIAZFYSA-N 0 0 583.084 7.711 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551095 572235353 /nfs/dbraw/zinc/23/53/53/572235353.db2.gz BCCDWBSDVZVLSJ-NDENLUEZSA-N 0 0 514.796 6.470 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551838 572236947 /nfs/dbraw/zinc/23/69/47/572236947.db2.gz MTCMBHTVEWEXGY-UQQQWYQISA-N 0 0 586.475 7.244 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553331 572240184 /nfs/dbraw/zinc/24/01/84/572240184.db2.gz VEOQEUJBIFJKPU-QGMBQPNBSA-N 0 0 542.828 5.169 40 10 KKCBRN O=C(COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554060 572241418 /nfs/dbraw/zinc/24/14/18/572241418.db2.gz YSCJDUIYLRGLAA-UHFFFAOYSA-N 0 0 655.321 7.901 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555040 572242527 /nfs/dbraw/zinc/24/25/27/572242527.db2.gz VCZLFVLUARURGN-UHFFFAOYSA-N 0 0 695.353 7.365 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)SC2=S)cc1 ZINC000408571554 572257148 /nfs/dbraw/zinc/25/71/48/572257148.db2.gz BRDNOUDLDHQGHF-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)SC2=S)cc1 ZINC000408571637 572257253 /nfs/dbraw/zinc/25/72/53/572257253.db2.gz CAKGERHBBVLXAN-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000408571981 572257462 /nfs/dbraw/zinc/25/74/62/572257462.db2.gz DQPRDTZAZLQLAV-UQQQWYQISA-N 0 0 516.688 6.073 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408571943 572257489 /nfs/dbraw/zinc/25/74/89/572257489.db2.gz DKYYOZSBOARUGR-CFRMEGHHSA-N 0 0 573.523 6.811 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000408572125 572257557 /nfs/dbraw/zinc/25/75/57/572257557.db2.gz FHBSWTDPSOXZCG-IWIPYMOSSA-N 0 0 502.661 6.031 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000408572225 572257675 /nfs/dbraw/zinc/25/76/75/572257675.db2.gz FSKWZFOECRCHTA-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000408573777 572259128 /nfs/dbraw/zinc/25/91/28/572259128.db2.gz KLTVYAYWIZHLNC-QQXSKIMKSA-N 0 0 532.687 6.121 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000408574302 572259477 /nfs/dbraw/zinc/25/94/77/572259477.db2.gz LPGYZZFHVAEAME-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)cc3)SC2=S)cc1 ZINC000408575326 572260421 /nfs/dbraw/zinc/26/04/21/572260421.db2.gz NUJRBTHSCCTTBX-JLPGSUDCSA-N 0 0 504.633 5.186 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000408576714 572261379 /nfs/dbraw/zinc/26/13/79/572261379.db2.gz QORDDYNDIJDUOQ-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408576674 572261423 /nfs/dbraw/zinc/26/14/23/572261423.db2.gz QINJNELNHLXNFM-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000408577269 572261894 /nfs/dbraw/zinc/26/18/94/572261894.db2.gz SDVGBEFACFJRSG-IWIPYMOSSA-N 0 0 518.660 5.731 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408577503 572262045 /nfs/dbraw/zinc/26/20/45/572262045.db2.gz SVZAJLGJYLTSAB-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000408577681 572262227 /nfs/dbraw/zinc/26/22/27/572262227.db2.gz UHIBFPSOHYYBSK-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000408577915 572262434 /nfs/dbraw/zinc/26/24/34/572262434.db2.gz VRQSUXJONDNAJG-QFEZKATASA-N 0 0 603.549 7.214 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c1 ZINC000408578149 572262721 /nfs/dbraw/zinc/26/27/21/572262721.db2.gz WDNPLBKFMFANPB-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408578318 572262915 /nfs/dbraw/zinc/26/29/15/572262915.db2.gz XKPUSYQMNNRWLR-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000408578374 572262920 /nfs/dbraw/zinc/26/29/20/572262920.db2.gz XUZCWWCWBKNAOO-QQXSKIMKSA-N 0 0 546.714 6.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000408578580 572263234 /nfs/dbraw/zinc/26/32/34/572263234.db2.gz YYSQXZURSGNRCR-MYYYXRDXSA-N 0 0 532.687 6.039 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408578609 572263245 /nfs/dbraw/zinc/26/32/45/572263245.db2.gz ZGOWMWFQUVVGJL-QFEZKATASA-N 0 0 553.105 6.466 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000253569370 572300365 /nfs/dbraw/zinc/30/03/65/572300365.db2.gz MGDRFYPNAQZMNX-OYUWMTPXSA-N 0 0 594.417 5.937 40 10 KKCBRN CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652806 572304052 /nfs/dbraw/zinc/30/40/52/572304052.db2.gz IJLVYFDMPDNLIW-RGEJLENHSA-N 0 0 661.585 8.188 40 10 KKCBRN CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408662604 572309684 /nfs/dbraw/zinc/30/96/84/572309684.db2.gz FSHLWQWBMFSCJH-UHFFFAOYSA-N 0 0 526.589 6.322 40 10 KKCBRN COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408664758 572311006 /nfs/dbraw/zinc/31/10/06/572311006.db2.gz JZVOXLUBERXLBZ-UHFFFAOYSA-N 0 0 512.562 5.931 40 10 KKCBRN COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408669646 572314140 /nfs/dbraw/zinc/31/41/40/572314140.db2.gz XVRPQKBOSLEVIX-UHFFFAOYSA-N 0 0 542.588 5.940 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408670300 572314580 /nfs/dbraw/zinc/31/45/80/572314580.db2.gz ZGPQFMWWLYGZQM-UHFFFAOYSA-N 0 0 551.426 7.230 40 10 KKCBRN CC1(C)Oc2cc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c(O)cc2[C@@H]2O[C@H](c3ccccc3)CC[C@H]21 ZINC000257316633 572317336 /nfs/dbraw/zinc/31/73/36/572317336.db2.gz VGKCHPUUMUFPAL-IGKQJQGVSA-N 0 0 577.121 6.149 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Oc4cccc5ccccc54)cc3)C(=O)[C@@H]2C1 ZINC000408677821 572319313 /nfs/dbraw/zinc/31/93/13/572319313.db2.gz FFCWVVIZUTXKST-AHKZPQOWSA-N 0 0 502.570 6.730 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565194 572322639 /nfs/dbraw/zinc/32/26/39/572322639.db2.gz HGJIJVIXGIMZLI-SUVVMJBMSA-N 0 0 512.075 6.516 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260746980 572325258 /nfs/dbraw/zinc/32/52/58/572325258.db2.gz YZDRAIRZXIENRX-QHCPKHFHSA-N 0 0 519.711 5.436 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@H](N=Nc3ccc(Cl)cc3Cl)C(C)=O)c(C)c2)cc1C ZINC000095866424 1069688398 /nfs/dbraw/zinc/68/83/98/1069688398.db2.gz JFMYRCRXYIIGBB-PPUBVSIESA-N 0 0 726.448 9.944 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1 ZINC000100049666 1069695549 /nfs/dbraw/zinc/69/55/49/1069695549.db2.gz DMPXHEMGDYKSFL-CMMFWBQSSA-N 0 0 620.666 6.731 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@H](C(C)=O)C(=O)Nc3ccccc3)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1 ZINC000100049669 1069695473 /nfs/dbraw/zinc/69/54/73/1069695473.db2.gz DMPXHEMGDYKSFL-SZBABRPCSA-N 0 0 620.666 6.731 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1Cl ZINC000102681387 1069706013 /nfs/dbraw/zinc/70/60/13/1069706013.db2.gz HQKCINZRJCRMPN-OEAKJJBVSA-N 0 0 512.100 6.839 40 10 KKCBRN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000102687146 1069707194 /nfs/dbraw/zinc/70/71/94/1069707194.db2.gz BPEZVAMWOSKQCJ-OVVQPSECSA-N 0 0 557.697 6.009 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1OC ZINC000102855029 1069707862 /nfs/dbraw/zinc/70/78/62/1069707862.db2.gz CIESSRADYJBYCX-HMAPJEAMSA-N 0 0 530.465 6.170 40 10 KKCBRN C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)S2)C[C@H](C)O1 ZINC000103830461 1069714218 /nfs/dbraw/zinc/71/42/18/1069714218.db2.gz BIUZVUFDSYEREB-USURUWJNSA-N 0 0 585.129 6.851 40 10 KKCBRN COc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000108422883 1069716782 /nfs/dbraw/zinc/71/67/82/1069716782.db2.gz BUTCHOQJYNMEER-JAIQZWGSSA-N 0 0 590.883 5.144 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408893965 1069751415 /nfs/dbraw/zinc/75/14/15/1069751415.db2.gz PAQPKFDTTUCXML-PLRJNAJWSA-N 0 0 513.590 5.198 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C1=O ZINC000408872368 1069748316 /nfs/dbraw/zinc/74/83/16/1069748316.db2.gz LXNQYHRECTVCGD-RGVLZGJSSA-N 0 0 527.777 5.807 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408884427 1069749948 /nfs/dbraw/zinc/74/99/48/1069749948.db2.gz ZBZHJGCLDBKRFR-UHFFFAOYSA-N 0 0 611.492 7.237 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409089414 1069775746 /nfs/dbraw/zinc/77/57/46/1069775746.db2.gz IIYMRORVWPSMMC-VAMRJTSQSA-N 0 0 524.620 7.652 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409142461 1069790113 /nfs/dbraw/zinc/79/01/13/1069790113.db2.gz ABCSYDWVJLTSOK-ZMFRSBBQSA-N 0 0 591.755 5.470 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409137223 1069787915 /nfs/dbraw/zinc/78/79/15/1069787915.db2.gz UWRGJSTXKWIHHV-ZBKNUEDVSA-N 0 0 556.334 6.607 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2Br)cc1 ZINC000409143945 1069789857 /nfs/dbraw/zinc/78/98/57/1069789857.db2.gz OOLHKBDTTKSRLS-BKUYFWCQSA-N 0 0 586.305 6.499 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408771814 1069882572 /nfs/dbraw/zinc/88/25/72/1069882572.db2.gz IGJTXSVTGMKGBJ-XKZIYDEJSA-N 0 0 555.389 6.027 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000408812604 1069968446 /nfs/dbraw/zinc/96/84/46/1069968446.db2.gz SUCDPUMFHXCCFY-UHFFFAOYSA-N 0 0 518.375 5.601 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000408821280 1069996699 /nfs/dbraw/zinc/99/66/99/1069996699.db2.gz FODZMRSEVUKTNQ-UHAPOFRNSA-N 0 0 637.205 6.560 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826937 1070004965 /nfs/dbraw/zinc/00/49/65/1070004965.db2.gz LTWJZKLTDSSWSF-HZHHUVPKSA-N 0 0 630.210 6.185 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408833189 1070019670 /nfs/dbraw/zinc/01/96/70/1070019670.db2.gz ZUIDZIMEUTVBGR-WYEJZRMESA-N 0 0 541.829 7.425 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836791 1070028195 /nfs/dbraw/zinc/02/81/95/1070028195.db2.gz VOFMMTXCXFVAFF-SAGCDJCOSA-N 0 0 597.781 6.116 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408833715 1070031352 /nfs/dbraw/zinc/03/13/52/1070031352.db2.gz URKKNQFUPSJJCA-ODSXNOBESA-N 0 0 716.687 7.490 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836035 1070039874 /nfs/dbraw/zinc/03/98/74/1070039874.db2.gz PKKHGYDAAHWMSW-ASUJOLEISA-N 0 0 583.754 5.555 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408838714 1070047922 /nfs/dbraw/zinc/04/79/22/1070047922.db2.gz ZSDVKGVLLWZKGX-IGSWSUAKSA-N 0 0 664.931 6.164 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408846542 1070054093 /nfs/dbraw/zinc/05/40/93/1070054093.db2.gz NWUZCKQBEXVDDB-LPYMAVHISA-N 0 0 525.830 6.886 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408847408 1070055764 /nfs/dbraw/zinc/05/57/64/1070055764.db2.gz MLGVAUCCYSDUGN-WGOQTCKBSA-N 0 0 720.458 8.470 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1 ZINC000408851682 1070058206 /nfs/dbraw/zinc/05/82/06/1070058206.db2.gz MJGMAOBVUAFHCV-ITNAUSPISA-N 0 0 596.753 5.127 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccc(C)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408857742 1070068141 /nfs/dbraw/zinc/06/81/41/1070068141.db2.gz MDPNJGVSUQYYMV-VHSZZVNMSA-N 0 0 548.477 7.348 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408865452 1070082889 /nfs/dbraw/zinc/08/28/89/1070082889.db2.gz CMHSLNCFUFGKAD-UHFFFAOYSA-N 0 0 553.014 6.819 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3ccccc3Br)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408865636 1070083723 /nfs/dbraw/zinc/08/37/23/1070083723.db2.gz DEOVDMRIZSKROM-UHFFFAOYSA-N 0 0 571.858 7.277 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408870015 1070085418 /nfs/dbraw/zinc/08/54/18/1070085418.db2.gz UKVNLFVTSFAMRB-UHFFFAOYSA-N 0 0 526.951 6.642 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408866822 1070086674 /nfs/dbraw/zinc/08/66/74/1070086674.db2.gz JGAYTGOSGOQSJC-RGVLZGJSSA-N 0 0 509.389 5.876 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000408869033 1070090774 /nfs/dbraw/zinc/09/07/74/1070090774.db2.gz QTSKMILPYYLNSS-LPYMAVHISA-N 0 0 625.419 5.417 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408869521 1070091439 /nfs/dbraw/zinc/09/14/39/1070091439.db2.gz PURKRSGOLWBPBD-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408871288 1070095154 /nfs/dbraw/zinc/09/51/54/1070095154.db2.gz ZAURJLFRAXJLRG-NHDPSOOVSA-N 0 0 544.511 5.696 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408872195 1070097098 /nfs/dbraw/zinc/09/70/98/1070097098.db2.gz AYNVJLNJCVJEEN-UHFFFAOYSA-N 0 0 615.911 7.675 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408873569 1070099292 /nfs/dbraw/zinc/09/92/92/1070099292.db2.gz SCPVLIWLCYYMCJ-UHFFFAOYSA-N 0 0 553.958 6.411 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408874296 1070101723 /nfs/dbraw/zinc/10/17/23/1070101723.db2.gz ZXGJAOSRPPUDCM-UHFFFAOYSA-N 0 0 569.082 6.984 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408879748 1070104073 /nfs/dbraw/zinc/10/40/73/1070104073.db2.gz FHBHLQZPXIAGNP-UZEJHQAJSA-N 0 0 657.173 8.775 40 10 KKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408876412 1070109657 /nfs/dbraw/zinc/10/96/57/1070109657.db2.gz OOZJPWCBHKHGRS-NYULUDCUSA-N 0 0 546.892 8.670 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408877348 1070111802 /nfs/dbraw/zinc/11/18/02/1070111802.db2.gz VFOODJRBUOKUHI-UHFFFAOYSA-N 0 0 705.530 6.925 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408877279 1070111829 /nfs/dbraw/zinc/11/18/29/1070111829.db2.gz UVYCPOPDWWKAHB-UHFFFAOYSA-N 0 0 522.601 6.173 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O ZINC000408877684 1070112747 /nfs/dbraw/zinc/11/27/47/1070112747.db2.gz XSCWVWYGETYOKP-WGARJPEWSA-N 0 0 579.600 6.950 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408878465 1070115161 /nfs/dbraw/zinc/11/51/61/1070115161.db2.gz BLWQYXBGKXZLDD-UHFFFAOYSA-N 0 0 725.402 7.390 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408878784 1070116093 /nfs/dbraw/zinc/11/60/93/1070116093.db2.gz BPRJQYYCFNEZIR-UHFFFAOYSA-N 0 0 598.409 6.520 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408887090 1070137090 /nfs/dbraw/zinc/13/70/90/1070137090.db2.gz NTTFGEZBJLWVTK-AUWJEWJLSA-N 0 0 519.667 5.933 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408901226 1070166712 /nfs/dbraw/zinc/16/67/12/1070166712.db2.gz CGELJIBMQRKCLJ-CIAFOILYSA-N 0 0 628.340 7.591 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408901499 1070168601 /nfs/dbraw/zinc/16/86/01/1070168601.db2.gz GCYYPOZIEYCKRQ-ZVHZXABRSA-N 0 0 540.504 7.141 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408902268 1070182750 /nfs/dbraw/zinc/18/27/50/1070182750.db2.gz MPZUTCJWVANYBO-WPWMEQJKSA-N 0 0 531.102 7.732 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902335 1070183461 /nfs/dbraw/zinc/18/34/61/1070183461.db2.gz NBXLMGBSCBNSDS-UDWIEESQSA-N 0 0 640.216 7.959 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc(F)c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902697 1070184275 /nfs/dbraw/zinc/18/42/75/1070184275.db2.gz QBPUOBJUTFINDZ-FYJGNVAPSA-N 0 0 547.414 6.415 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408907992 1070192587 /nfs/dbraw/zinc/19/25/87/1070192587.db2.gz CZGKMLGNXRDAAS-GWXNNEATSA-N 0 0 617.771 6.050 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920323 1070225357 /nfs/dbraw/zinc/22/53/57/1070225357.db2.gz IMKLVPSSQAGCBH-SJXDCSIJSA-N 0 0 695.623 5.908 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408929699 1070257531 /nfs/dbraw/zinc/25/75/31/1070257531.db2.gz MQUKEQJOLMCRJY-UXHLAJHPSA-N 0 0 565.695 6.965 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1 ZINC000408934786 1070270690 /nfs/dbraw/zinc/27/06/90/1070270690.db2.gz MMDCBGNTHFIAPG-IWIPYMOSSA-N 0 0 517.607 5.254 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934110 1070268577 /nfs/dbraw/zinc/26/85/77/1070268577.db2.gz LGXQINGQCIFBLV-RXZPBKSNSA-N 0 0 633.770 5.890 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000408936929 1070278401 /nfs/dbraw/zinc/27/84/01/1070278401.db2.gz LIXDOHITDVJBEL-LPYMAVHISA-N 0 0 509.389 6.413 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)(C)C)cc5)c4C)c(=O)n32)cc1OCC ZINC000408932713 1070281103 /nfs/dbraw/zinc/28/11/03/1070281103.db2.gz DQXOMSSZPZPYMG-OYBLHVSXSA-N 0 0 613.780 5.521 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000408940082 1070284936 /nfs/dbraw/zinc/28/49/36/1070284936.db2.gz UCGUWRLYZDICTG-LPYMAVHISA-N 0 0 600.840 6.364 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n21 ZINC000408943225 1070303972 /nfs/dbraw/zinc/30/39/72/1070303972.db2.gz FIYMNHHCFPHXBX-HWMKKPCCSA-N 0 0 760.492 6.278 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408947670 1070312214 /nfs/dbraw/zinc/31/22/14/1070312214.db2.gz QQPSKHFNYUVWDJ-MQIAMDAWSA-N 0 0 600.499 5.270 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2C)c1 ZINC000408968117 1070333691 /nfs/dbraw/zinc/33/36/91/1070333691.db2.gz WOKRNZJGPPZYMS-UCQKPKSFSA-N 0 0 505.552 5.416 40 10 KKCBRN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)CC1 ZINC000408975031 1070336473 /nfs/dbraw/zinc/33/64/73/1070336473.db2.gz ITPQYBKVPDBXSL-UHFFFAOYSA-N 0 0 556.691 7.737 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)cc1N1CCCC[C@H]1C ZINC000408976000 1070336989 /nfs/dbraw/zinc/33/69/89/1070336989.db2.gz OKCPLYNBAIDYTA-UVBVLWFHSA-N 0 0 536.076 6.812 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408982241 1070340236 /nfs/dbraw/zinc/34/02/36/1070340236.db2.gz JFFNTWIUIODAHD-PSAPEEBNSA-N 0 0 628.581 6.650 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(I)cc4)C3=O)o2)cc1 ZINC000408983833 1070340871 /nfs/dbraw/zinc/34/08/71/1070340871.db2.gz DJHPNHCJCPLZGH-OQKWZONESA-N 0 0 573.386 6.809 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)c(C)c3)C2=O)cc1 ZINC000408987432 1070349746 /nfs/dbraw/zinc/34/97/46/1070349746.db2.gz XQMRLGLZQVLUIA-LTGZKZEYSA-N 0 0 507.371 6.470 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408987759 1070350471 /nfs/dbraw/zinc/35/04/71/1070350471.db2.gz BXJIKOHEAUTZGZ-UHFFFAOYSA-N 0 0 783.957 9.898 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408990224 1070355562 /nfs/dbraw/zinc/35/55/62/1070355562.db2.gz JYTYJPQKUJNIAF-UHFFFAOYSA-N 0 0 804.375 10.243 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408992819 1070367725 /nfs/dbraw/zinc/36/77/25/1070367725.db2.gz CGUULTUPKCTZSZ-DEDYPNTBSA-N 0 0 509.414 7.060 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409002967 1070373788 /nfs/dbraw/zinc/37/37/88/1070373788.db2.gz XOKODJVLIBMQAB-OGLMXYFKSA-N 0 0 573.640 7.478 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409000433 1070376141 /nfs/dbraw/zinc/37/61/41/1070376141.db2.gz YEKXQMBSFFIRDD-GATIEOLUSA-N 0 0 509.433 6.582 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000409002092 1070378772 /nfs/dbraw/zinc/37/87/72/1070378772.db2.gz SKMVWSSVMPNTIY-UHFFFAOYSA-N 0 0 543.000 6.135 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409008831 1070391337 /nfs/dbraw/zinc/39/13/37/1070391337.db2.gz LPAQVOSNLAPVBQ-ZCTHSVRISA-N 0 0 675.601 6.927 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409008686 1070391356 /nfs/dbraw/zinc/39/13/56/1070391356.db2.gz ZXPQVGXFQCHBSC-UHFFFAOYSA-N 0 0 577.662 5.769 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409018167 1070392959 /nfs/dbraw/zinc/39/29/59/1070392959.db2.gz XYKCACMKUOUEAR-QRVIBDJDSA-N 0 0 525.830 6.387 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409018370 1070393341 /nfs/dbraw/zinc/39/33/41/1070393341.db2.gz HEZIHRZIYRIKLC-GLYRRZRCSA-N 0 0 611.116 5.176 40 10 KKCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013650 1070393877 /nfs/dbraw/zinc/39/38/77/1070393877.db2.gz NEIHKVYJEFPFFZ-MTDXEUNCSA-N 0 0 613.132 5.342 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023328 1070400729 /nfs/dbraw/zinc/40/07/29/1070400729.db2.gz JWSWPCIXRMTOBS-BPOMCQNBSA-N 0 0 658.824 6.500 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409022790 1070400008 /nfs/dbraw/zinc/40/00/08/1070400008.db2.gz FLCLPXHCVZZYIE-JEBSQDRDSA-N 0 0 646.769 5.138 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022872 1070400066 /nfs/dbraw/zinc/40/00/66/1070400066.db2.gz VEEKKSOMXDQARK-NSQMGQQPSA-N 0 0 587.749 5.347 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000409025328 1070408878 /nfs/dbraw/zinc/40/88/78/1070408878.db2.gz TWWPAZLSFSGJIG-ZDLGFXPLSA-N 0 0 556.809 5.029 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030661 1070413864 /nfs/dbraw/zinc/41/38/64/1070413864.db2.gz DYLXFYNWBNZTKW-UAMLYEQYSA-N 0 0 664.622 5.764 40 10 KKCBRN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409032044 1070418257 /nfs/dbraw/zinc/41/82/57/1070418257.db2.gz HXYIWPSPMJTYGD-WMZJFQQLSA-N 0 0 568.090 5.639 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccccc1Cl ZINC000409033306 1070422411 /nfs/dbraw/zinc/42/24/11/1070422411.db2.gz LGFKEHPXXINNAF-BOPFTXTBSA-N 0 0 529.896 7.153 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409034896 1070433515 /nfs/dbraw/zinc/43/35/15/1070433515.db2.gz OJSPAZHDPXNTGP-AUWJEWJLSA-N 0 0 561.721 7.727 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409035217 1070434252 /nfs/dbraw/zinc/43/42/52/1070434252.db2.gz JGAPADSTFKVHBK-MLPAPPSSSA-N 0 0 779.068 8.283 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409035780 1070435454 /nfs/dbraw/zinc/43/54/54/1070435454.db2.gz UCYITPVIPCBKOZ-QCDXTXTGSA-N 0 0 779.068 8.283 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035965 1070435545 /nfs/dbraw/zinc/43/55/45/1070435545.db2.gz UWXURKQYSBNARA-ATGGPKJLSA-N 0 0 735.859 5.735 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000409036532 1070437729 /nfs/dbraw/zinc/43/77/29/1070437729.db2.gz LLWSRIFCFOAURJ-SXGWCWSVSA-N 0 0 510.821 6.560 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409042211 1070446678 /nfs/dbraw/zinc/44/66/78/1070446678.db2.gz BVLLYRWVVLCDSN-NSIKDUERSA-N 0 0 616.724 7.091 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409042974 1070448169 /nfs/dbraw/zinc/44/81/69/1070448169.db2.gz MAWCMLSKEDKEFZ-LZYBPNLTSA-N 0 0 662.780 7.424 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)c(OC(C)C)c(I)c1 ZINC000409043988 1070450861 /nfs/dbraw/zinc/45/08/61/1070450861.db2.gz NIWVJPCNWBSQNI-WMZJFQQLSA-N 0 0 662.134 6.185 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000409053084 1070456460 /nfs/dbraw/zinc/45/64/60/1070456460.db2.gz KGVMFWMFRQLPGD-QRVIBDJDSA-N 0 0 528.468 6.877 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046520 1070457275 /nfs/dbraw/zinc/45/72/75/1070457275.db2.gz RKNRNJQPXRKIMJ-ISZRBDKASA-N 0 0 613.780 5.564 40 10 KKCBRN COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409047652 1070459201 /nfs/dbraw/zinc/45/92/01/1070459201.db2.gz PGBCESIYVSKJKP-VCHYOVAHSA-N 0 0 531.779 5.901 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C1=O ZINC000409048218 1070460913 /nfs/dbraw/zinc/46/09/13/1070460913.db2.gz RNEBDHVMZDEYGZ-VCHYOVAHSA-N 0 0 622.672 6.558 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409052185 1070468179 /nfs/dbraw/zinc/46/81/79/1070468179.db2.gz GSVXKUVESYOOFR-MYYYXRDXSA-N 0 0 524.539 6.389 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409052358 1070468299 /nfs/dbraw/zinc/46/82/99/1070468299.db2.gz CURXYPVYNYBVGU-XKZIYDEJSA-N 0 0 555.856 6.396 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409059242 1070472321 /nfs/dbraw/zinc/47/23/21/1070472321.db2.gz VSOZNWAFTVSJNB-NHDPSOOVSA-N 0 0 529.851 7.240 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1Cl ZINC000409076747 1070491614 /nfs/dbraw/zinc/49/16/14/1070491614.db2.gz BQSFQKDFUISQMR-UQQQWYQISA-N 0 0 634.901 7.757 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000409071105 1070497168 /nfs/dbraw/zinc/49/71/68/1070497168.db2.gz ONKVIMVSAPZEAF-OYKKKHCWSA-N 0 0 510.512 5.999 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000409081981 1070505430 /nfs/dbraw/zinc/50/54/30/1070505430.db2.gz RCPIAWAOEPIRBR-FATJQOLTSA-N 0 0 588.733 5.598 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409092551 1070516259 /nfs/dbraw/zinc/51/62/59/1070516259.db2.gz VKLSTJGFSALDAT-IWIPYMOSSA-N 0 0 533.842 8.060 40 10 KKCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000409094842 1070518529 /nfs/dbraw/zinc/51/85/29/1070518529.db2.gz GJZUYYIBMCTBEZ-MTJSOVHGSA-N 0 0 503.418 5.303 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409087405 1070520797 /nfs/dbraw/zinc/52/07/97/1070520797.db2.gz UBVAYRQFCHSTED-XYGWBWBKSA-N 0 0 512.968 6.901 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409089255 1070523282 /nfs/dbraw/zinc/52/32/82/1070523282.db2.gz ZGSDJYNJIKIRCR-HAHDFKILSA-N 0 0 533.842 8.060 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409088568 1070522410 /nfs/dbraw/zinc/52/24/10/1070522410.db2.gz FMSBLXSKVZINHP-UHFFFAOYSA-N 0 0 642.373 8.296 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409091421 1070526612 /nfs/dbraw/zinc/52/66/12/1070526612.db2.gz UGZQSGADPIXHDA-NTNOMAAHSA-N 0 0 683.672 6.435 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091789 1070527518 /nfs/dbraw/zinc/52/75/18/1070527518.db2.gz USELFFDFDMSAGW-UHFFFAOYSA-N 0 0 580.509 5.887 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)SC2=S)cc1 ZINC000409131997 1070550801 /nfs/dbraw/zinc/55/08/01/1070550801.db2.gz OBHQYGXGJOXXAV-PKAZHMFMSA-N 0 0 530.671 6.139 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409129146 1070556287 /nfs/dbraw/zinc/55/62/87/1070556287.db2.gz QYACBPVCAOZFQU-MXAYSNPKSA-N 0 0 598.975 7.323 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Br)c5ccccc54)c3C)NC2=S)cc1 ZINC000409125212 1070553257 /nfs/dbraw/zinc/55/32/57/1070553257.db2.gz MWOIYPJVIBRUBT-XYGWBWBKSA-N 0 0 546.490 6.671 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1CCC1CCCC1 ZINC000409126939 1070554414 /nfs/dbraw/zinc/55/44/14/1070554414.db2.gz CLCPCUCYZVKVFD-YSMPRRRNSA-N 0 0 520.676 6.231 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409127841 1070554800 /nfs/dbraw/zinc/55/48/00/1070554800.db2.gz RSGCDELNHADQGX-XYGWBWBKSA-N 0 0 509.140 7.687 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409136644 1070561175 /nfs/dbraw/zinc/56/11/75/1070561175.db2.gz SLAAXINIJPKNPL-MRUKODCESA-N 0 0 618.405 8.169 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409138093 1070562419 /nfs/dbraw/zinc/56/24/19/1070562419.db2.gz ZUYGDQSFVSAMEO-XYGWBWBKSA-N 0 0 540.711 5.620 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409143987 1070572252 /nfs/dbraw/zinc/57/22/52/1070572252.db2.gz NSKULPWQUWPJHI-ZWXNIRCYSA-N 0 0 547.746 6.015 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149976 1070568313 /nfs/dbraw/zinc/56/83/13/1070568313.db2.gz WZWNRQWPXQNPTL-VIZOYTHASA-N 0 0 670.719 5.412 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccncc1 ZINC000409146074 1070573726 /nfs/dbraw/zinc/57/37/26/1070573726.db2.gz QWFHPPPUNQLQFV-WYMPLXKRSA-N 0 0 535.691 5.118 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC ZINC000409176450 1070591379 /nfs/dbraw/zinc/59/13/79/1070591379.db2.gz NPYIOYJSNQVKSU-ZDLGFXPLSA-N 0 0 530.868 6.835 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409179184 1070594535 /nfs/dbraw/zinc/59/45/35/1070594535.db2.gz NMYNLHJZAXTVMH-CFRMEGHHSA-N 0 0 514.043 7.171 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182013 1070599714 /nfs/dbraw/zinc/59/97/14/1070599714.db2.gz HKFVBZNLAFZNMG-XFPOKXRESA-N 0 0 807.723 8.338 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409181099 1070598604 /nfs/dbraw/zinc/59/86/04/1070598604.db2.gz WGEDHGOAZRPQMW-FOKLQQMPSA-N 0 0 577.486 6.955 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409179192 1070594779 /nfs/dbraw/zinc/59/47/79/1070594779.db2.gz NQXXJQHAWYPOKM-ZVHZXABRSA-N 0 0 626.554 5.638 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2c(O)ccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185129 1070604866 /nfs/dbraw/zinc/60/48/66/1070604866.db2.gz JNVRDTXRNCJPGM-HJFSHLRVSA-N 0 0 613.739 6.939 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183849 1070603191 /nfs/dbraw/zinc/60/31/91/1070603191.db2.gz UDLQUJNLTFEVSG-BRBBWVIMSA-N 0 0 656.204 7.141 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184178 1070603259 /nfs/dbraw/zinc/60/32/59/1070603259.db2.gz FNFRYMCFCFITHO-BITBMSFSSA-N 0 0 923.586 9.007 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3cccc4ccccc43)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185547 1070605506 /nfs/dbraw/zinc/60/55/06/1070605506.db2.gz MIDWOKGLBSFJTH-HWFKBBKOSA-N 0 0 812.786 9.583 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409193030 1070611381 /nfs/dbraw/zinc/61/13/81/1070611381.db2.gz ALFSNRJMZLCKRW-MYYYXRDXSA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409196083 1070615777 /nfs/dbraw/zinc/61/57/77/1070615777.db2.gz NFAHHWREVJQSBB-YBFXNURJSA-N 0 0 501.383 6.332 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000409193538 1070612128 /nfs/dbraw/zinc/61/21/28/1070612128.db2.gz GBMKOMZIWRWUQY-IWIPYMOSSA-N 0 0 516.644 5.813 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)c2C)cc1 ZINC000409195649 1070615087 /nfs/dbraw/zinc/61/50/87/1070615087.db2.gz RKGPVZPGVNBARL-JJFYIABZSA-N 0 0 574.884 6.194 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000409195901 1070615635 /nfs/dbraw/zinc/61/56/35/1070615635.db2.gz RZRVTCJESUCRKW-JFLMPSFJSA-N 0 0 511.071 7.902 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409197783 1070618784 /nfs/dbraw/zinc/61/87/84/1070618784.db2.gz OTKGPDBKURYYRB-ZMOGYAJESA-N 0 0 506.605 6.205 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409206729 1070622255 /nfs/dbraw/zinc/62/22/55/1070622255.db2.gz WPVCHROAUCUZBY-NHDPSOOVSA-N 0 0 579.310 7.336 40 10 KKCBRN Cc1cc(OCCn2cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c3ccccc32)ccc1Cl ZINC000409207234 1070622937 /nfs/dbraw/zinc/62/29/37/1070622937.db2.gz QSLZXIUFIVUYJF-VFCFBJKWSA-N 0 0 505.017 7.901 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1 ZINC000409205195 1070631053 /nfs/dbraw/zinc/63/10/53/1070631053.db2.gz OLLCTHLHPUZUOS-MXAYSNPKSA-N 0 0 589.739 5.239 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409211617 1070635801 /nfs/dbraw/zinc/63/58/01/1070635801.db2.gz NGJNMGOZKDYDDD-YBFXNURJSA-N 0 0 501.345 5.071 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409239499 1070654699 /nfs/dbraw/zinc/65/46/99/1070654699.db2.gz NULRTEDKGYPXSQ-CFRMEGHHSA-N 0 0 588.538 6.491 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409232187 1070657729 /nfs/dbraw/zinc/65/77/29/1070657729.db2.gz OOWKDCVFJVXOFA-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409232952 1070658279 /nfs/dbraw/zinc/65/82/79/1070658279.db2.gz JFKNTVKULUJQBU-UUYOSTAYSA-N 0 0 579.021 6.791 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409244844 1070661928 /nfs/dbraw/zinc/66/19/28/1070661928.db2.gz JLNOKEQFEWKTEK-FIJRTHIRSA-N 0 0 567.516 5.790 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409235627 1070662085 /nfs/dbraw/zinc/66/20/85/1070662085.db2.gz CPCWYFLOJKGGSZ-WQRHYEAKSA-N 0 0 555.903 5.740 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1C ZINC000409241573 1070669191 /nfs/dbraw/zinc/66/91/91/1070669191.db2.gz ONPYWGWNJOJXLW-FSJBWODESA-N 0 0 521.570 5.003 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)c(C)c1 ZINC000409243444 1070671332 /nfs/dbraw/zinc/67/13/32/1070671332.db2.gz WKMKHKFANMPFFR-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409249070 1070665608 /nfs/dbraw/zinc/66/56/08/1070665608.db2.gz GLDMJYXWQFUYOC-JJFYIABZSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409257892 1070678164 /nfs/dbraw/zinc/67/81/64/1070678164.db2.gz UDPVHXCONMMQKQ-QRVIBDJDSA-N 0 0 543.041 6.301 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409252227 1070683363 /nfs/dbraw/zinc/68/33/63/1070683363.db2.gz RIFBZVHAWBQAKV-NDENLUEZSA-N 0 0 524.586 5.731 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409252419 1070683831 /nfs/dbraw/zinc/68/38/31/1070683831.db2.gz BPFLZFASHCPUEC-JAIQZWGSSA-N 0 0 533.002 5.500 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000409259682 1070694836 /nfs/dbraw/zinc/69/48/36/1070694836.db2.gz CLMBQDNTFASRTQ-UQQQWYQISA-N 0 0 534.659 5.907 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1 ZINC000409261185 1070697081 /nfs/dbraw/zinc/69/70/81/1070697081.db2.gz BPCHGKXSRRQDRV-ZDLGFXPLSA-N 0 0 675.761 6.474 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409262113 1070698410 /nfs/dbraw/zinc/69/84/10/1070698410.db2.gz CSXAYMQYKZDSTL-GTNUZRKBSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409262637 1070699069 /nfs/dbraw/zinc/69/90/69/1070699069.db2.gz GGFQEZYHIUXZQN-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409263075 1070699972 /nfs/dbraw/zinc/69/99/72/1070699972.db2.gz KDHXZQRUGPCDHM-XKZIYDEJSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409270624 1070706204 /nfs/dbraw/zinc/70/62/04/1070706204.db2.gz GKAKWCWRANZUBE-UUYOSTAYSA-N 0 0 529.014 5.911 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Br)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408880421 1070788899 /nfs/dbraw/zinc/78/88/99/1070788899.db2.gz JTPUCBPUWHAQTQ-UHFFFAOYSA-N 0 0 569.480 6.776 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408879761 1070791515 /nfs/dbraw/zinc/79/15/15/1070791515.db2.gz DBBSBPGIFRUOSN-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccccc2Br)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408879890 1070791926 /nfs/dbraw/zinc/79/19/26/1070791926.db2.gz FXQBWFIMQSJCLB-UHFFFAOYSA-N 0 0 553.412 6.612 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879816 1070792061 /nfs/dbraw/zinc/79/20/61/1070792061.db2.gz GXIIXIVZDDWANR-UHFFFAOYSA-N 0 0 609.534 8.474 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000408879529 1070793226 /nfs/dbraw/zinc/79/32/26/1070793226.db2.gz FABVCTORLFQDDG-UHFFFAOYSA-N 0 0 553.083 7.284 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408879357 1070793959 /nfs/dbraw/zinc/79/39/59/1070793959.db2.gz FMFTUOWHBSXJLT-UHFFFAOYSA-N 0 0 521.038 6.274 40 10 KKCBRN CC(C)Oc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408878410 1070799971 /nfs/dbraw/zinc/79/99/71/1070799971.db2.gz ALQYPQDNUDBGPX-UHFFFAOYSA-N 0 0 505.368 5.820 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888766 1070812719 /nfs/dbraw/zinc/81/27/19/1070812719.db2.gz AIWCPNDMEVCIBA-UHFFFAOYSA-N 0 0 672.519 7.469 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408887623 1070820423 /nfs/dbraw/zinc/82/04/23/1070820423.db2.gz PQIGWSATWKJHRH-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408887370 1070820500 /nfs/dbraw/zinc/82/05/00/1070820500.db2.gz QFCCULCASIAAAM-UHFFFAOYSA-N 0 0 526.951 6.642 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409327374 1070827980 /nfs/dbraw/zinc/82/79/80/1070827980.db2.gz JHDMAKPBVPTLNZ-ZMOGYAJESA-N 0 0 549.630 5.644 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409328632 1070829522 /nfs/dbraw/zinc/82/95/22/1070829522.db2.gz ZDZCXHIWLLESNA-WGOQTCKBSA-N 0 0 501.604 6.972 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409328521 1070829758 /nfs/dbraw/zinc/82/97/58/1070829758.db2.gz WYFRFNXIUCCLOG-OYKKKHCWSA-N 0 0 522.623 5.956 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409328764 1070830499 /nfs/dbraw/zinc/83/04/99/1070830499.db2.gz ANASFCDNFCTNLJ-ZVHZXABRSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000409329483 1070831056 /nfs/dbraw/zinc/83/10/56/1070831056.db2.gz GJTOYMVECWPAHX-LZYBPNLTSA-N 0 0 500.823 5.534 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409329718 1070831837 /nfs/dbraw/zinc/83/18/37/1070831837.db2.gz HQQAXASIVLYKQS-LSCVHKIXSA-N 0 0 556.855 7.173 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409329669 1070832185 /nfs/dbraw/zinc/83/21/85/1070832185.db2.gz HIMSDKSGPIROLI-LZYBPNLTSA-N 0 0 609.385 5.276 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1 ZINC000409329938 1070832748 /nfs/dbraw/zinc/83/27/48/1070832748.db2.gz IFESMQMNTMEPDW-UDWIEESQSA-N 0 0 531.409 6.422 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000409330110 1070833081 /nfs/dbraw/zinc/83/30/81/1070833081.db2.gz IUFGDPBXNJIPQL-LDADJPATSA-N 0 0 543.423 6.024 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409330111 1070833782 /nfs/dbraw/zinc/83/37/82/1070833782.db2.gz IUKZCSXZIGEDBE-ZDLGFXPLSA-N 0 0 500.350 7.678 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409331595 1070835684 /nfs/dbraw/zinc/83/56/84/1070835684.db2.gz OONICHWDYBDULV-PKAZHMFMSA-N 0 0 561.729 6.308 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)c1 ZINC000409334127 1070839521 /nfs/dbraw/zinc/83/95/21/1070839521.db2.gz UDYHULPRHYJRTG-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000409339821 1070845137 /nfs/dbraw/zinc/84/51/37/1070845137.db2.gz YZPOOOHJFXEJPN-XKZIYDEJSA-N 0 0 573.465 5.722 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409340159 1070846162 /nfs/dbraw/zinc/84/61/62/1070846162.db2.gz RKFOPZKVOWZCGE-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409341286 1070847986 /nfs/dbraw/zinc/84/79/86/1070847986.db2.gz AWXVPBZJJJCYPC-XKZIYDEJSA-N 0 0 601.415 8.268 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409342946 1070850430 /nfs/dbraw/zinc/85/04/30/1070850430.db2.gz DAKOGBKIFWWVBD-YVNNLAQVSA-N 0 0 571.430 6.071 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409343378 1070852200 /nfs/dbraw/zinc/85/22/00/1070852200.db2.gz GTHFBLDOQFSKBP-VEILYXNESA-N 0 0 538.694 7.387 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409335658 1070855634 /nfs/dbraw/zinc/85/56/34/1070855634.db2.gz LFCUQCHCDPXWCT-OREGWCPLSA-N 0 0 593.092 7.480 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409334919 1070853853 /nfs/dbraw/zinc/85/38/53/1070853853.db2.gz WZXUHMCVLXRIFF-OYKKKHCWSA-N 0 0 539.078 6.158 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408894296 1070856836 /nfs/dbraw/zinc/85/68/36/1070856836.db2.gz HTXSHRGYVICSIR-UHFFFAOYSA-N 0 0 587.459 7.555 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1I ZINC000409338066 1070860085 /nfs/dbraw/zinc/86/00/85/1070860085.db2.gz CHVNOABIAQPINU-CHHVJCJISA-N 0 0 566.667 6.122 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409338153 1070860458 /nfs/dbraw/zinc/86/04/58/1070860458.db2.gz DXQRIKKEIXGVRV-MTJSOVHGSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409338401 1070860620 /nfs/dbraw/zinc/86/06/20/1070860620.db2.gz JHHJWFMXRMBGTL-BOPFTXTBSA-N 0 0 527.405 5.113 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409346891 1070864121 /nfs/dbraw/zinc/86/41/21/1070864121.db2.gz ORRGTMDTULHXOH-SRZZPIQSSA-N 0 0 517.415 6.886 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccccc1F ZINC000409338790 1070861108 /nfs/dbraw/zinc/86/11/08/1070861108.db2.gz BARFUTRFIWLUGA-JAIQZWGSSA-N 0 0 520.485 6.951 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409339397 1070862386 /nfs/dbraw/zinc/86/23/86/1070862386.db2.gz UYSUAIBAWFSWHV-NVNXTCNLSA-N 0 0 638.246 5.609 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409346696 1070863240 /nfs/dbraw/zinc/86/32/40/1070863240.db2.gz NONFMPSERRTPOM-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OC ZINC000409349477 1070866857 /nfs/dbraw/zinc/86/68/57/1070866857.db2.gz QKDFHLNXEDHLBR-PXNMLYILSA-N 0 0 519.269 6.569 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1 ZINC000409349661 1070867535 /nfs/dbraw/zinc/86/75/35/1070867535.db2.gz QKDLUERYBXOXBZ-LFVJCYFKSA-N 0 0 503.649 5.484 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408892461 1070870823 /nfs/dbraw/zinc/87/08/23/1070870823.db2.gz ZQHJVZFHQIWKCL-UHFFFAOYSA-N 0 0 604.709 6.664 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352692 1070870911 /nfs/dbraw/zinc/87/09/11/1070870911.db2.gz XZDZLGZYTGYHID-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409345357 1070876875 /nfs/dbraw/zinc/87/68/75/1070876875.db2.gz LHHYWRRWQLCJPQ-MTJSOVHGSA-N 0 0 505.970 7.344 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408891292 1070877982 /nfs/dbraw/zinc/87/79/82/1070877982.db2.gz ODSGNIGBVSZNFP-UHFFFAOYSA-N 0 0 573.026 6.000 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408905161 1070899886 /nfs/dbraw/zinc/89/98/86/1070899886.db2.gz UNCYKHUBAHMMKH-LPYMAVHISA-N 0 0 552.400 5.811 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905709 1070899316 /nfs/dbraw/zinc/89/93/16/1070899316.db2.gz CSWLWSLKWPJNLE-LQKURTRISA-N 0 0 666.583 6.554 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408906307 1070896367 /nfs/dbraw/zinc/89/63/67/1070896367.db2.gz IGRTYFNABQBNLE-RDRPBHBLSA-N 0 0 665.595 7.472 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409373542 1070896888 /nfs/dbraw/zinc/89/68/88/1070896888.db2.gz VKTYZXAQJXYPDI-JJFYIABZSA-N 0 0 686.380 7.124 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409373330 1070897161 /nfs/dbraw/zinc/89/71/61/1070897161.db2.gz UQGTWFHQBJKPQI-ODCIPOBUSA-N 0 0 678.244 8.580 40 10 KKCBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c(C)c1 ZINC000409374504 1070897564 /nfs/dbraw/zinc/89/75/64/1070897564.db2.gz RINKALYQGGMIGR-ODLFYWEKSA-N 0 0 502.434 5.115 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1O[C@@H](C)CC ZINC000408905055 1070900194 /nfs/dbraw/zinc/90/01/94/1070900194.db2.gz SMTBELKQAITXDB-UZUMKDMXSA-N 0 0 504.368 5.673 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(C)c1 ZINC000408904008 1070901295 /nfs/dbraw/zinc/90/12/95/1070901295.db2.gz CGDCGKRBQVJPGH-OEAKJJBVSA-N 0 0 505.412 6.541 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408903640 1070902689 /nfs/dbraw/zinc/90/26/89/1070902689.db2.gz VGHYCULAJCVOEP-VYYCAZPPSA-N 0 0 546.479 6.750 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408903444 1070903393 /nfs/dbraw/zinc/90/33/93/1070903393.db2.gz XZVGNNORXAAJGO-HYARGMPZSA-N 0 0 539.476 6.181 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408903431 1070903497 /nfs/dbraw/zinc/90/34/97/1070903497.db2.gz XSSNTBZBUSQCPG-YBFXNURJSA-N 0 0 516.222 7.141 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902804 1070909907 /nfs/dbraw/zinc/90/99/07/1070909907.db2.gz ROYGYUPNYCBYMZ-HYARGMPZSA-N 0 0 525.051 6.080 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1 ZINC000408903121 1070905474 /nfs/dbraw/zinc/90/54/74/1070905474.db2.gz USTMHGCFXJUGJW-CIAFOILYSA-N 0 0 540.255 6.905 40 10 KKCBRN O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000408903263 1070906109 /nfs/dbraw/zinc/90/61/09/1070906109.db2.gz WRFOBNSITSQVMQ-FYJGNVAPSA-N 0 0 543.439 6.012 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408902794 1070910011 /nfs/dbraw/zinc/91/00/11/1070910011.db2.gz RMXCIZQSPXCHTL-HYARGMPZSA-N 0 0 559.450 6.285 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902808 1070910029 /nfs/dbraw/zinc/91/00/29/1070910029.db2.gz RQABJBBZPZNBEZ-UDWIEESQSA-N 0 0 673.310 7.020 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408903076 1070906696 /nfs/dbraw/zinc/90/66/96/1070906696.db2.gz UJYMBUJUCWSLMM-OEAKJJBVSA-N 0 0 504.036 6.339 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408902893 1070908099 /nfs/dbraw/zinc/90/80/99/1070908099.db2.gz NCHKHJCWPFTKIU-YUMHPJSZSA-N 0 0 512.034 6.097 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408902686 1070908457 /nfs/dbraw/zinc/90/84/57/1070908457.db2.gz PXDCFYPONPUZTP-HYARGMPZSA-N 0 0 560.922 7.486 40 10 KKCBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408902956 1070908507 /nfs/dbraw/zinc/90/85/07/1070908507.db2.gz SRIIKDRAPNICOR-OQLLNIDSSA-N 0 0 543.258 5.169 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408902954 1070908612 /nfs/dbraw/zinc/90/86/12/1070908612.db2.gz SQPPCLLPUGGEQO-WGOQTCKBSA-N 0 0 541.445 7.386 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408902454 1070911179 /nfs/dbraw/zinc/91/11/79/1070911179.db2.gz NXXCNJSFZCTTLC-UDWIEESQSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902442 1070911331 /nfs/dbraw/zinc/91/13/31/1070911331.db2.gz NTFPRATWKZXVOZ-UDWIEESQSA-N 0 0 673.310 7.020 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000408902494 1070911894 /nfs/dbraw/zinc/91/18/94/1070911894.db2.gz ONHFQVBWJUHCRV-PXLXIMEGSA-N 0 0 522.717 6.617 40 10 KKCBRN O=C1/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000408902508 1070911957 /nfs/dbraw/zinc/91/19/57/1070911957.db2.gz OSQRKHDXUHDYGK-IADYIPOJSA-N 0 0 514.675 8.217 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408902232 1070914584 /nfs/dbraw/zinc/91/45/84/1070914584.db2.gz MIBMOJYFJDNUNA-SRZZPIQSSA-N 0 0 535.394 5.962 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408901624 1070919740 /nfs/dbraw/zinc/91/97/40/1070919740.db2.gz GWXVAXAIRPIEFT-JFLMPSFJSA-N 0 0 565.547 8.386 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901888 1070915977 /nfs/dbraw/zinc/91/59/77/1070915977.db2.gz ILGAAZWMVPNDPV-FYJGNVAPSA-N 0 0 547.414 6.415 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901890 1070916068 /nfs/dbraw/zinc/91/60/68/1070916068.db2.gz ILSYWJFSRIFOMJ-UDWIEESQSA-N 0 0 534.859 7.226 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408901478 1070921223 /nfs/dbraw/zinc/92/12/23/1070921223.db2.gz FTDIWJOFMQHNIT-RGVLZGJSSA-N 0 0 665.225 6.189 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408901486 1070921358 /nfs/dbraw/zinc/92/13/58/1070921358.db2.gz FWQUNMILQHYRFB-FYJGNVAPSA-N 0 0 591.346 7.205 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408901033 1070926393 /nfs/dbraw/zinc/92/63/93/1070926393.db2.gz BPXGVZNAQLZOOG-ZVHZXABRSA-N 0 0 670.288 7.434 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408900993 1070926631 /nfs/dbraw/zinc/92/66/31/1070926631.db2.gz BJEIDWZEKFIJAA-HZHRSRAPSA-N 0 0 587.504 6.983 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cccs3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408915854 1071004775 /nfs/dbraw/zinc/00/47/75/1071004775.db2.gz RANDPXCDPZXNAB-ZRYJBNJPSA-N 0 0 637.783 5.581 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408911110 1071064639 /nfs/dbraw/zinc/06/46/39/1071064639.db2.gz JDWDQSCEFLISHM-KOBOZNMDSA-N 0 0 705.643 6.318 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408919896 1071114191 /nfs/dbraw/zinc/11/41/91/1071114191.db2.gz DZJRFFDXEBNCEZ-ISZRBDKASA-N 0 0 625.194 5.829 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000408918579 1071133635 /nfs/dbraw/zinc/13/36/35/1071133635.db2.gz MDVQSYGICYNODP-ZVHZXABRSA-N 0 0 525.026 5.926 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408929411 1071170255 /nfs/dbraw/zinc/17/02/55/1071170255.db2.gz JIRPWYGJBZSZBV-WSDLNYQXSA-N 0 0 543.259 6.020 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408929388 1071172955 /nfs/dbraw/zinc/17/29/55/1071172955.db2.gz XZTJOXBZENFCQW-WSDLNYQXSA-N 0 0 522.399 5.045 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408928056 1071190110 /nfs/dbraw/zinc/19/01/10/1071190110.db2.gz VIPWGTSGFNMFRR-UPWSPCOFSA-N 0 0 683.637 5.841 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000208691069 1071212457 /nfs/dbraw/zinc/21/24/57/1071212457.db2.gz LKPCMYAPQMKRJR-CFRMEGHHSA-N 0 0 509.483 7.711 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208700305 1071213040 /nfs/dbraw/zinc/21/30/40/1071213040.db2.gz YHYDAHWHZVNMHG-FBHDLOMBSA-N 0 0 517.415 6.886 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408936170 1071214811 /nfs/dbraw/zinc/21/48/11/1071214811.db2.gz OOFMPIMLYLWSDH-CIAFOILYSA-N 0 0 531.781 5.445 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000408935870 1071217312 /nfs/dbraw/zinc/21/73/12/1071217312.db2.gz DYZQTJJYGMMWGY-FYJGNVAPSA-N 0 0 505.368 5.479 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 ZINC000408932935 1071246267 /nfs/dbraw/zinc/24/62/67/1071246267.db2.gz FUKVHPHVJKXJPG-QRVIBDJDSA-N 0 0 521.570 5.003 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408932658 1071249434 /nfs/dbraw/zinc/24/94/34/1071249434.db2.gz DHMVOCWPJWEJPO-RHANQZHGSA-N 0 0 569.658 6.796 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408945558 1071277954 /nfs/dbraw/zinc/27/79/54/1071277954.db2.gz WQAJTWGFIBWMBG-LPYMAVHISA-N 0 0 509.389 6.413 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408944793 1071283583 /nfs/dbraw/zinc/28/35/83/1071283583.db2.gz VGDVSLUIJABQRB-LPYMAVHISA-N 0 0 553.840 6.522 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944304 1071285107 /nfs/dbraw/zinc/28/51/07/1071285107.db2.gz UZFDPMJZCTXBOE-XHSDYDGRSA-N 0 0 661.824 6.572 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1 ZINC000408941993 1071303015 /nfs/dbraw/zinc/30/30/15/1071303015.db2.gz QGRGKPIOOCTEDA-FYJGNVAPSA-N 0 0 552.368 5.321 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408941693 1071305808 /nfs/dbraw/zinc/30/58/08/1071305808.db2.gz QDWVXCCMMHLEAX-ZXXDOZTISA-N 0 0 679.814 6.711 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408940685 1071314501 /nfs/dbraw/zinc/31/45/01/1071314501.db2.gz OOCSHHJAVXVRFI-CIAFOILYSA-N 0 0 511.803 6.496 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cc(C)cc(C)c1 ZINC000408937353 1071341652 /nfs/dbraw/zinc/34/16/52/1071341652.db2.gz IYWZEZVYBURQNF-BUVRLJJBSA-N 0 0 503.396 6.087 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Br)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408949829 1071359863 /nfs/dbraw/zinc/35/98/63/1071359863.db2.gz CLLAMGXIBMYHPO-UHFFFAOYSA-N 0 0 516.145 5.388 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408963784 1071421585 /nfs/dbraw/zinc/42/15/85/1071421585.db2.gz ATDVGFSQEDIZDJ-QQXSKIMKSA-N 0 0 515.679 6.683 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2F)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973884 1071447128 /nfs/dbraw/zinc/44/71/28/1071447128.db2.gz WDOICAPCGHJQGP-WQRHYEAKSA-N 0 0 692.188 6.962 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 ZINC000408973607 1071447756 /nfs/dbraw/zinc/44/77/56/1071447756.db2.gz ZMGVIQRTOFNZSY-UHFFFAOYSA-N 0 0 537.465 5.325 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Br)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969845 1071457517 /nfs/dbraw/zinc/45/75/17/1071457517.db2.gz VMCZYAIBLNMOSK-ZHZULCJRSA-N 0 0 501.302 6.377 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969868 1071457607 /nfs/dbraw/zinc/45/76/07/1071457607.db2.gz VXCJMHJKBATMTP-UNOMPAQXSA-N 0 0 519.292 6.516 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1 ZINC000408968014 1071463726 /nfs/dbraw/zinc/46/37/26/1071463726.db2.gz YOTIENZYCBMTAZ-GZTJUZNOSA-N 0 0 508.871 7.253 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)cc1N1CCCC[C@@H]1C ZINC000408976003 1071473241 /nfs/dbraw/zinc/47/32/41/1071473241.db2.gz OKCPLYNBAIDYTA-VHEBRAQUSA-N 0 0 536.076 6.812 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)C=C2c2ccccc2)c1 ZINC000408987015 1071483825 /nfs/dbraw/zinc/48/38/25/1071483825.db2.gz UNVBEQCCIUOGKG-PXLXIMEGSA-N 0 0 518.407 6.496 40 10 KKCBRN Cc1cc(C)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(Cl)c4)C(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000408986461 1071490881 /nfs/dbraw/zinc/49/08/81/1071490881.db2.gz CMASKUWVJQICQY-UHFFFAOYSA-N 0 0 629.609 8.863 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)C3=O)o2)cc1 ZINC000408985398 1071500475 /nfs/dbraw/zinc/50/04/75/1071500475.db2.gz LTTPHXKAINWJOD-YYADALCUSA-N 0 0 600.652 8.264 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985183 1071501156 /nfs/dbraw/zinc/50/11/56/1071501156.db2.gz JXISSLJPVSDVJT-USDTVRPUSA-N 0 0 650.595 5.376 40 10 KKCBRN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408984473 1071508125 /nfs/dbraw/zinc/50/81/25/1071508125.db2.gz HNFUEJIRJMUNSD-YYADALCUSA-N 0 0 518.613 7.051 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408726804 1071510683 /nfs/dbraw/zinc/51/06/83/1071510683.db2.gz VICIMQHNBNLEIJ-TWKHWXDSSA-N 0 0 647.525 8.082 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408984093 1071512805 /nfs/dbraw/zinc/51/28/05/1071512805.db2.gz HXLMQVDHWSKGDZ-WAHKBFHJSA-N 0 0 661.780 5.528 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408983818 1071515035 /nfs/dbraw/zinc/51/50/35/1071515035.db2.gz CWSOXHVRVYYQRQ-HIXSDJFHSA-N 0 0 520.610 7.616 40 10 KKCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408726459 1071515824 /nfs/dbraw/zinc/51/58/24/1071515824.db2.gz RSYDBSUUXHUVRH-XIEYBQDHSA-N 0 0 506.558 6.139 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1I ZINC000408726044 1071517436 /nfs/dbraw/zinc/51/74/36/1071517436.db2.gz PABHXPGEQGPYDR-ZHZULCJRSA-N 0 0 543.407 5.916 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408983530 1071517485 /nfs/dbraw/zinc/51/74/85/1071517485.db2.gz LDHVOGYLSCPSSU-SVXDAGRPSA-N 0 0 594.136 5.997 40 10 KKCBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)=C2)cc1C ZINC000408725692 1071519521 /nfs/dbraw/zinc/51/95/21/1071519521.db2.gz GSUHQOKMSHVLKM-CJHFNCPESA-N 0 0 513.566 7.849 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408982731 1071523718 /nfs/dbraw/zinc/52/37/18/1071523718.db2.gz JOSCNUQINFKODO-UQDCTOEPSA-N 0 0 604.128 5.034 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408725188 1071521236 /nfs/dbraw/zinc/52/12/36/1071521236.db2.gz IDDNBIVDCVDVEH-UHFFFAOYSA-N 0 0 601.486 7.781 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408724780 1071523594 /nfs/dbraw/zinc/52/35/94/1071523594.db2.gz BYGBXPQYVAFIEP-ZCWBPALNSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408981541 1071532241 /nfs/dbraw/zinc/53/22/41/1071532241.db2.gz IEFGYDRHISQWJY-TVRVIFGSSA-N 0 0 759.666 6.273 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408980591 1071539292 /nfs/dbraw/zinc/53/92/92/1071539292.db2.gz FWSVHNNVFAJQDD-UQDCTOEPSA-N 0 0 560.119 5.476 40 10 KKCBRN CCN(CC)c1cc(OC)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br ZINC000408980334 1071540548 /nfs/dbraw/zinc/54/05/48/1071540548.db2.gz VMMADJPQFARYPP-QQMBNGEASA-N 0 0 691.648 5.508 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408979750 1071543736 /nfs/dbraw/zinc/54/37/36/1071543736.db2.gz CSYFJJVUGCKGNX-PIXWUVMMSA-N 0 0 576.118 5.256 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408995525 1071552544 /nfs/dbraw/zinc/55/25/44/1071552544.db2.gz JVSIJJRUPFPRKL-CLNXTWJPSA-N 0 0 630.608 5.888 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408995527 1071552584 /nfs/dbraw/zinc/55/25/84/1071552584.db2.gz JVSIJJRUPFPRKL-ZHGFHMGHSA-N 0 0 630.608 5.888 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408994992 1071554763 /nfs/dbraw/zinc/55/47/63/1071554763.db2.gz KHZGXLWXALJSPN-FYJGNVAPSA-N 0 0 512.201 6.055 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(C)c4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000408994711 1071556707 /nfs/dbraw/zinc/55/67/07/1071556707.db2.gz ZSXOHXUXRPGWNB-UHFFFAOYSA-N 0 0 606.744 7.265 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408994562 1071557294 /nfs/dbraw/zinc/55/72/94/1071557294.db2.gz ZRDIXPXIMISRCB-UHFFFAOYSA-N 0 0 741.678 9.151 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408994546 1071557340 /nfs/dbraw/zinc/55/73/40/1071557340.db2.gz ZPUOQIYWCUGXAL-UHFFFAOYSA-N 0 0 606.733 6.388 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408994282 1071559462 /nfs/dbraw/zinc/55/94/62/1071559462.db2.gz YYQKBALDYFRYFI-JAIQZWGSSA-N 0 0 550.668 6.097 40 10 KKCBRN CCOc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736025 1071558093 /nfs/dbraw/zinc/55/80/93/1071558093.db2.gz APBVDISDCFNABW-GOHWNWGWSA-N 0 0 500.853 8.451 40 10 KKCBRN CCOc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736045 1071558162 /nfs/dbraw/zinc/55/81/62/1071558162.db2.gz CBSFLLZWBAMQRY-VHSZZVNMSA-N 0 0 510.859 7.907 40 10 KKCBRN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)N(c6cc(C)cc(C)c6)C(=S)N(c6cc(C)cc(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408993539 1071564699 /nfs/dbraw/zinc/56/46/99/1071564699.db2.gz WAPFVXFZIQBUPV-UHFFFAOYSA-N 0 0 783.957 9.898 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408993556 1071564832 /nfs/dbraw/zinc/56/48/32/1071564832.db2.gz WEGMDAZDQAUVHJ-PLNPHXOGSA-N 0 0 650.782 5.973 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408734458 1071566512 /nfs/dbraw/zinc/56/65/12/1071566512.db2.gz SBDQZWCLVJALTN-GERGCZQVSA-N 0 0 634.596 5.215 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408993074 1071567238 /nfs/dbraw/zinc/56/72/38/1071567238.db2.gz BWWXFCZQWDSVOV-OREGWCPLSA-N 0 0 559.540 7.115 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccc(C)c(Cl)c5)C(=S)N(c5ccc(C)c(Cl)c5)C4=O)o3)sc2c1 ZINC000408992086 1071575150 /nfs/dbraw/zinc/57/51/50/1071575150.db2.gz QKDJOVAZASLNNO-UHFFFAOYSA-N 0 0 680.660 9.111 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992017 1071576694 /nfs/dbraw/zinc/57/66/94/1071576694.db2.gz PZIDCTFIHNALHM-MKPDMIMOSA-N 0 0 842.808 9.707 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408991306 1071581060 /nfs/dbraw/zinc/58/10/60/1071581060.db2.gz NJRASQRFLHQIRJ-CLCZQPDDSA-N 0 0 559.540 7.115 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408991830 1071578121 /nfs/dbraw/zinc/57/81/21/1071578121.db2.gz RDSZJTMFCORUOQ-UHFFFAOYSA-N 0 0 576.718 7.338 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408991446 1071582170 /nfs/dbraw/zinc/58/21/70/1071582170.db2.gz OGKRPHKBYDUHES-CONSDPRKSA-N 0 0 801.972 9.017 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408990822 1071586795 /nfs/dbraw/zinc/58/67/95/1071586795.db2.gz WRYKIBCEADLHLF-DJPQNNMESA-N 0 0 603.700 5.072 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408990639 1071587789 /nfs/dbraw/zinc/58/77/89/1071587789.db2.gz OIHQPLGFDKGUIB-UHFFFAOYSA-N 0 0 673.662 9.262 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408990001 1071592127 /nfs/dbraw/zinc/59/21/27/1071592127.db2.gz JQNLKEINVULFPJ-IBYCJETLSA-N 0 0 647.760 5.126 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408990207 1071591050 /nfs/dbraw/zinc/59/10/50/1071591050.db2.gz JXESGWHWSZLNAV-JMIUGGIZSA-N 0 0 576.662 5.645 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(Cl)c4)C(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)c1 ZINC000408990194 1071591102 /nfs/dbraw/zinc/59/11/02/1071591102.db2.gz NFNDMUKROLCPDY-UHFFFAOYSA-N 0 0 677.606 7.963 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccc(C)c(C)c5)C(=S)N(c5ccc(C)c(C)c5)C4=O)o3)sc2c1 ZINC000408989865 1071593468 /nfs/dbraw/zinc/59/34/68/1071593468.db2.gz JEYBAXDIXNZNOX-UHFFFAOYSA-N 0 0 639.824 8.421 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408989330 1071597806 /nfs/dbraw/zinc/59/78/06/1071597806.db2.gz TYTFNIODBCVLSS-JGAYHZFGSA-N 0 0 663.752 5.089 40 10 KKCBRN Cc1cc(C)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(C)c4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c(C)c1 ZINC000408989835 1071595257 /nfs/dbraw/zinc/59/52/57/1071595257.db2.gz MGZWFXCKKFSFGL-UHFFFAOYSA-N 0 0 588.773 8.173 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3C)C2=O)cc1Br ZINC000408739267 1071605088 /nfs/dbraw/zinc/60/50/88/1071605088.db2.gz UVWQACMDWZUERI-CPNJWEJPSA-N 0 0 572.240 6.842 40 10 KKCBRN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408988116 1071606810 /nfs/dbraw/zinc/60/68/10/1071606810.db2.gz CQIPVJCQPXZUNE-JMIUGGIZSA-N 0 0 585.113 6.750 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(I)c(C)c4)C3=O)o2)cc1 ZINC000408987988 1071608815 /nfs/dbraw/zinc/60/88/15/1071608815.db2.gz ZSTFDHKHGLZCMN-HAVVHWLPSA-N 0 0 587.413 7.118 40 10 KKCBRN CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I ZINC000408744624 1071615520 /nfs/dbraw/zinc/61/55/20/1071615520.db2.gz YYCBXYWJJVNZLX-AWNIVKPZSA-N 0 0 545.554 5.614 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408997110 1071615336 /nfs/dbraw/zinc/61/53/36/1071615336.db2.gz REMDVBASOGTTJU-ZYSRDMNZSA-N 0 0 634.621 5.486 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000408743764 1071617774 /nfs/dbraw/zinc/61/77/74/1071617774.db2.gz VBTKUDYYKIEXHO-YBFXNURJSA-N 0 0 544.772 6.514 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408741105 1071627209 /nfs/dbraw/zinc/62/72/09/1071627209.db2.gz GRBTWDIXVCMNSG-OVCLIPMQSA-N 0 0 573.739 6.701 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1ccccc1 ZINC000408742065 1071622828 /nfs/dbraw/zinc/62/28/28/1071622828.db2.gz MSWMBGMSZYOLIE-UDWIEESQSA-N 0 0 556.250 7.171 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409007042 1071623138 /nfs/dbraw/zinc/62/31/38/1071623138.db2.gz MMCWHQILANAKFX-UHFFFAOYSA-N 0 0 577.593 5.305 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000409006718 1071624113 /nfs/dbraw/zinc/62/41/13/1071624113.db2.gz KXKADVHMJINZKQ-PXNMLYILSA-N 0 0 582.166 7.319 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409006687 1071624153 /nfs/dbraw/zinc/62/41/53/1071624153.db2.gz KCRPFOQUYGQVJM-CEUNXORHSA-N 0 0 533.697 7.076 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Br)cc1 ZINC000408740343 1071630293 /nfs/dbraw/zinc/63/02/93/1071630293.db2.gz BEXLYZIOVWPHHK-XDHOZWIPSA-N 0 0 542.223 6.781 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409004453 1071632603 /nfs/dbraw/zinc/63/26/03/1071632603.db2.gz ABYYDYRYPVFGDG-LPYMAVHISA-N 0 0 641.360 7.051 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409003503 1071636595 /nfs/dbraw/zinc/63/65/95/1071636595.db2.gz SJQAPDRCBDLMIH-SLFBTFMYSA-N 0 0 610.477 6.235 40 10 KKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408756111 1071639309 /nfs/dbraw/zinc/63/93/09/1071639309.db2.gz XPIITBKJNXQIHA-VXLYETTFSA-N 0 0 526.184 5.775 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000409001666 1071644950 /nfs/dbraw/zinc/64/49/50/1071644950.db2.gz QDKRTVJFXNBWDU-BOPFTXTBSA-N 0 0 507.178 5.097 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2Br)cc1 ZINC000408755470 1071644956 /nfs/dbraw/zinc/64/49/56/1071644956.db2.gz NWDGIQJBLWLUBO-XQNSMLJCSA-N 0 0 505.368 5.469 40 10 KKCBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000408755301 1071645891 /nfs/dbraw/zinc/64/58/91/1071645891.db2.gz DEQBMEVDMPDYGQ-FYJGNVAPSA-N 0 0 509.824 7.409 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409000131 1071651077 /nfs/dbraw/zinc/65/10/77/1071651077.db2.gz XFHWCCBIDIMLOE-QPJBPQEWSA-N 0 0 590.543 5.277 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000202 1071651578 /nfs/dbraw/zinc/65/15/78/1071651578.db2.gz MWEQDFDKTDUZOD-LLXISZFLSA-N 0 0 634.714 5.260 40 10 KKCBRN Cc1cc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(C)n1-c1ccc(I)cc1 ZINC000408754198 1071652308 /nfs/dbraw/zinc/65/23/08/1071652308.db2.gz FDZRTBFHRQETCU-IWIPYMOSSA-N 0 0 531.393 7.142 40 10 KKCBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2cc(Cl)ccc2Cl)N=C1C ZINC000408998382 1071659683 /nfs/dbraw/zinc/65/96/83/1071659683.db2.gz IYPHTJFYNDTIFC-LICLKQGHSA-N 0 0 515.313 5.418 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1 ZINC000408998154 1071661145 /nfs/dbraw/zinc/66/11/45/1071661145.db2.gz TUCPIHIVGBIYPR-PVTPYKNESA-N 0 0 532.731 6.932 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408997422 1071664863 /nfs/dbraw/zinc/66/48/63/1071664863.db2.gz OMTDYUZVTQYPAY-ZRYJBNJPSA-N 0 0 613.805 5.512 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409016200 1071668869 /nfs/dbraw/zinc/66/88/69/1071668869.db2.gz DWPNDQOHNLAYKN-JBVGNYNVSA-N 0 0 667.231 6.071 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409016343 1071668296 /nfs/dbraw/zinc/66/82/96/1071668296.db2.gz TXVGZACUNREWKM-KWXFCVSUSA-N 0 0 583.504 6.424 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409015798 1071670865 /nfs/dbraw/zinc/67/08/65/1071670865.db2.gz BJBMUPLKPWWWHP-NJZRLIGZSA-N 0 0 691.202 6.257 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409015502 1071671918 /nfs/dbraw/zinc/67/19/18/1071671918.db2.gz NMLPASGDBPALOG-KEPJHFNWSA-N 0 0 678.605 5.072 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409014761 1071674849 /nfs/dbraw/zinc/67/48/49/1071674849.db2.gz JBSXSESOFKBXAO-ISZRBDKASA-N 0 0 628.795 5.069 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409014403 1071675617 /nfs/dbraw/zinc/67/56/17/1071675617.db2.gz PLYHQBUHMNHWFE-WGOQTCKBSA-N 0 0 569.079 5.405 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409014102 1071676599 /nfs/dbraw/zinc/67/65/99/1071676599.db2.gz FBBKZDZFRQITES-USPORGMFSA-N 0 0 644.841 6.533 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409014221 1071677872 /nfs/dbraw/zinc/67/78/72/1071677872.db2.gz GVLUBYIOLLQCHK-LMBBUSAASA-N 0 0 610.824 6.175 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012988 1071681938 /nfs/dbraw/zinc/68/19/38/1071681938.db2.gz LTYRHXFZYFHZDL-JVWAILMASA-N 0 0 720.458 8.470 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012821 1071682486 /nfs/dbraw/zinc/68/24/86/1071682486.db2.gz LDGYRLZSDLLRGS-ZCTHSVRISA-N 0 0 631.150 6.505 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409012814 1071682493 /nfs/dbraw/zinc/68/24/93/1071682493.db2.gz LBRYLZVRXDDIBX-RGVLZGJSSA-N 0 0 623.276 6.025 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409011669 1071687259 /nfs/dbraw/zinc/68/72/59/1071687259.db2.gz HZCPHGWSXXWKGJ-RDRPBHBLSA-N 0 0 681.594 7.172 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010876 1071689509 /nfs/dbraw/zinc/68/95/09/1071689509.db2.gz FYBAQEJITHFQTL-YZSQISJMSA-N 0 0 514.050 6.464 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010911 1071689562 /nfs/dbraw/zinc/68/95/62/1071689562.db2.gz GFVVDMKICQLIDO-AJBULDERSA-N 0 0 675.601 7.009 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409010023 1071693169 /nfs/dbraw/zinc/69/31/69/1071693169.db2.gz DAKLAIONJPBMFO-UQRQXUALSA-N 0 0 646.541 7.599 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409009723 1071694060 /nfs/dbraw/zinc/69/40/60/1071694060.db2.gz HRKKBVUYFDSPRT-MFKUBSTISA-N 0 0 569.514 5.786 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009691 1071695142 /nfs/dbraw/zinc/69/51/42/1071695142.db2.gz BJTNQAWPIJGQQX-ZCTHSVRISA-N 0 0 693.649 8.170 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408760552 1071696442 /nfs/dbraw/zinc/69/64/42/1071696442.db2.gz ASWMFGVBQGTTRG-HYRGFNLMSA-N 0 0 665.815 7.019 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009234 1071696691 /nfs/dbraw/zinc/69/66/91/1071696691.db2.gz CGCYRKAJXMITGY-RUMWWMSVSA-N 0 0 610.732 6.555 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408760184 1071697362 /nfs/dbraw/zinc/69/73/62/1071697362.db2.gz TZJLXTHKARUKQC-TWKHWXDSSA-N 0 0 584.701 6.645 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008555 1071698823 /nfs/dbraw/zinc/69/88/23/1071698823.db2.gz XUSFGKFAUZMMDG-KBVAKVRCSA-N 0 0 575.709 6.987 40 10 KKCBRN O=C(Cn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408759852 1071699983 /nfs/dbraw/zinc/69/99/83/1071699983.db2.gz MWFDIXZEYDKXLH-UHFFFAOYSA-N 0 0 556.647 6.028 40 10 KKCBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408758659 1071704539 /nfs/dbraw/zinc/70/45/39/1071704539.db2.gz OQSNEQSNLLEDQB-JMIUGGIZSA-N 0 0 519.526 6.302 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(I)c3)C2=O)cc1OC ZINC000408758512 1071705089 /nfs/dbraw/zinc/70/50/89/1071705089.db2.gz LJOVYZNQBRZGLN-LDADJPATSA-N 0 0 543.788 6.433 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408758325 1071705527 /nfs/dbraw/zinc/70/55/27/1071705527.db2.gz XWTYUWSHEVMGCK-GDBTWUMFSA-N 0 0 619.790 7.402 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408758260 1071707330 /nfs/dbraw/zinc/70/73/30/1071707330.db2.gz XSUJROJQFFWTIK-TZSYTQTBSA-N 0 0 649.816 7.410 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408757324 1071712984 /nfs/dbraw/zinc/71/29/84/1071712984.db2.gz YNHLXOJVOJHTDZ-RCCKNPSSSA-N 0 0 503.967 6.696 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409023539 1071715525 /nfs/dbraw/zinc/71/55/25/1071715525.db2.gz YIEYRSDLAGEIMD-CVKSISIWSA-N 0 0 610.583 5.543 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021679 1071721417 /nfs/dbraw/zinc/72/14/17/1071721417.db2.gz SVWBZIMYOHQWJE-XGLKJEJJSA-N 0 0 569.727 5.303 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408767159 1071716416 /nfs/dbraw/zinc/71/64/16/1071716416.db2.gz DTLXIAGMKZHGCF-UHFFFAOYSA-N 0 0 680.276 6.772 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409022732 1071717130 /nfs/dbraw/zinc/71/71/30/1071717130.db2.gz QZKOUNZVWQNKEW-XQNSMLJCSA-N 0 0 502.596 5.264 40 10 KKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)c1 ZINC000408766871 1071717846 /nfs/dbraw/zinc/71/78/46/1071717846.db2.gz TXUOXDLLFHMZOF-FYJGNVAPSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409022528 1071719010 /nfs/dbraw/zinc/71/90/10/1071719010.db2.gz NIODGCHFHXRMBX-CDWRSTBESA-N 0 0 708.631 5.081 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(F)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408766740 1071719101 /nfs/dbraw/zinc/71/91/01/1071719101.db2.gz DPNFPQGQXLXDFM-SXDQJOKOSA-N 0 0 626.153 6.536 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409022296 1071719420 /nfs/dbraw/zinc/71/94/20/1071719420.db2.gz MKLUJNSFGDWUHW-JLPGSUDCSA-N 0 0 503.982 6.195 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022306 1071719425 /nfs/dbraw/zinc/71/94/25/1071719425.db2.gz MRWNOHMDXMBWSN-FVJLIQDKSA-N 0 0 629.830 6.471 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409020904 1071725329 /nfs/dbraw/zinc/72/53/29/1071725329.db2.gz VKKNABCOAGAKBC-OVVQPSECSA-N 0 0 542.705 5.405 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC ZINC000409019536 1071729598 /nfs/dbraw/zinc/72/95/98/1071729598.db2.gz JQHOXWOSPZVALW-MHWRWJLKSA-N 0 0 523.836 5.073 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000409019282 1071730483 /nfs/dbraw/zinc/73/04/83/1071730483.db2.gz INOHIUYITPRDJE-ZRWQFTNJSA-N 0 0 580.575 5.691 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409018886 1071731711 /nfs/dbraw/zinc/73/17/11/1071731711.db2.gz WJCRJLQIZAUHLG-JJIBRWJFSA-N 0 0 515.635 5.143 40 10 KKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2cccc(Br)c2)C1=O ZINC000408762246 1071735905 /nfs/dbraw/zinc/73/59/05/1071735905.db2.gz JSCYDLGATWZLST-DEDYPNTBSA-N 0 0 512.201 6.055 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408763123 1071733233 /nfs/dbraw/zinc/73/32/33/1071733233.db2.gz HOPDVHSEGVNBFN-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408763368 1071733242 /nfs/dbraw/zinc/73/32/42/1071733242.db2.gz NHDSLBUGBJHDDG-UDWIEESQSA-N 0 0 561.071 6.809 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409018235 1071733526 /nfs/dbraw/zinc/73/35/26/1071733526.db2.gz SFQPIHLQYVYUHM-JLPGSUDCSA-N 0 0 504.380 5.905 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000409037038 1071737787 /nfs/dbraw/zinc/73/77/87/1071737787.db2.gz XCTLXMWNHIEORA-VIZOYTHASA-N 0 0 632.298 6.520 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409018164 1071734413 /nfs/dbraw/zinc/73/44/13/1071734413.db2.gz XWVZTLVFRJWIJB-RDRPBHBLSA-N 0 0 681.594 7.172 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409017887 1071734449 /nfs/dbraw/zinc/73/44/49/1071734449.db2.gz WDANERHYQWGPLL-HZHRSRAPSA-N 0 0 522.026 5.098 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409017984 1071734465 /nfs/dbraw/zinc/73/44/65/1071734465.db2.gz GWOGMUOHRSPADV-UZWMFBFFSA-N 0 0 645.177 7.208 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409017774 1071734790 /nfs/dbraw/zinc/73/47/90/1071734790.db2.gz VUWOPTOHTSVHGE-RUMWWMSVSA-N 0 0 626.731 6.255 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc2ccccc21 ZINC000409036989 1071739863 /nfs/dbraw/zinc/73/98/63/1071739863.db2.gz SBPRKOUMYKQXHW-FYJGNVAPSA-N 0 0 552.499 7.319 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409036578 1071740719 /nfs/dbraw/zinc/74/07/19/1071740719.db2.gz LRPCLQMDMWFHDE-VIZOYTHASA-N 0 0 557.302 7.083 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000409036404 1071743794 /nfs/dbraw/zinc/74/37/94/1071743794.db2.gz RGMOEBZBMGDKCA-OVCLIPMQSA-N 0 0 602.272 6.511 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408777245 1071746138 /nfs/dbraw/zinc/74/61/38/1071746138.db2.gz XBVMRRDPDUCDFO-GRPHBVMCSA-N 0 0 605.785 6.065 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409035836 1071747089 /nfs/dbraw/zinc/74/70/89/1071747089.db2.gz UHARTKBAJPFFRY-LICLKQGHSA-N 0 0 547.436 6.074 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035342 1071752488 /nfs/dbraw/zinc/75/24/88/1071752488.db2.gz SGDJNVBNILISHQ-UAMLYEQYSA-N 0 0 620.171 5.655 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000409035743 1071748899 /nfs/dbraw/zinc/74/88/99/1071748899.db2.gz QNYPKEZHVJLAPT-MIUGUJGPSA-N 0 0 716.041 6.253 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408776253 1071750076 /nfs/dbraw/zinc/75/00/76/1071750076.db2.gz XMGUTHGXZTUVGW-UQQQWYQISA-N 0 0 545.035 6.242 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000408774220 1071761544 /nfs/dbraw/zinc/76/15/44/1071761544.db2.gz BDJKAYBLJXGEGS-SAGCDJCOSA-N 0 0 545.683 6.174 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034318 1071761731 /nfs/dbraw/zinc/76/17/31/1071761731.db2.gz NFVUZQOUDXKIAH-ITNPZBTBSA-N 0 0 603.716 5.141 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1Cl ZINC000409034438 1071760324 /nfs/dbraw/zinc/76/03/24/1071760324.db2.gz NVNUYQBEJNHLHN-NVNXTCNLSA-N 0 0 648.753 7.034 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1 ZINC000409034225 1071764081 /nfs/dbraw/zinc/76/40/81/1071764081.db2.gz PZHWZPORGQQWJI-PXNMLYILSA-N 0 0 601.753 7.192 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408773386 1071768018 /nfs/dbraw/zinc/76/80/18/1071768018.db2.gz VBUWRIHFRBILRW-PEPUGYCWSA-N 0 0 674.675 7.372 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409033828 1071765637 /nfs/dbraw/zinc/76/56/37/1071765637.db2.gz MKGJQNFGCXKIFF-VIZOYTHASA-N 0 0 612.305 6.447 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408772996 1071771255 /nfs/dbraw/zinc/77/12/55/1071771255.db2.gz OUDNQXIKAYJZPS-IWIPYMOSSA-N 0 0 539.459 7.067 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409032805 1071776011 /nfs/dbraw/zinc/77/60/11/1071776011.db2.gz JKPKUNGYCYVJQC-OQLLNIDSSA-N 0 0 537.282 6.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032740 1071778118 /nfs/dbraw/zinc/77/81/18/1071778118.db2.gz NBQBFBZZVOONES-LMGFFNHESA-N 0 0 814.755 6.498 40 10 KKCBRN COC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409032389 1071780000 /nfs/dbraw/zinc/78/00/00/1071780000.db2.gz IVFZTEKTBGMPAC-YCRREMRBSA-N 0 0 645.116 5.107 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(C)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408769749 1071790865 /nfs/dbraw/zinc/79/08/65/1071790865.db2.gz OLGBPKQPYCIGCY-NPNXEGEYSA-N 0 0 587.745 6.052 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408769845 1071788740 /nfs/dbraw/zinc/78/87/40/1071788740.db2.gz PSTKWQDJTNXBBK-PNQAETMRSA-N 0 0 596.127 6.527 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409031395 1071789164 /nfs/dbraw/zinc/78/91/64/1071789164.db2.gz AHUXHGPBRLWCQV-CHHVJCJISA-N 0 0 606.172 7.837 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)sc2=N1 ZINC000409031418 1071789613 /nfs/dbraw/zinc/78/96/13/1071789613.db2.gz AOHUKAUKXBWNPD-UAMLYEQYSA-N 0 0 648.623 6.066 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000409030336 1071798798 /nfs/dbraw/zinc/79/87/98/1071798798.db2.gz FLHPLOKHPLUZKU-HRIDGTDGSA-N 0 0 681.596 5.598 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OC(C)C ZINC000409029669 1071806732 /nfs/dbraw/zinc/80/67/32/1071806732.db2.gz ACMWGZMHTAQLHA-WZUFQYTHSA-N 0 0 566.264 5.589 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408768172 1071803237 /nfs/dbraw/zinc/80/32/37/1071803237.db2.gz CMJNDZUDTOIGDW-UQQQWYQISA-N 0 0 523.029 5.435 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408767628 1071809287 /nfs/dbraw/zinc/80/92/87/1071809287.db2.gz NCGFVVMEDVVQKN-JCMHNJIXSA-N 0 0 537.399 5.888 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)sc2=N1 ZINC000409037622 1071820423 /nfs/dbraw/zinc/82/04/23/1071820423.db2.gz YAEUYACDXQBWHL-DUCIMOQJSA-N 0 0 621.734 5.924 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4sc(=CC5=CC(=NNc6ccccc6)C=CC5=O)c(=O)n42)c2ccccc2CC3)c1 ZINC000408780955 1071820374 /nfs/dbraw/zinc/82/03/74/1071820374.db2.gz OJMDVNZDVRUMSC-DIWUIZSHSA-N 0 0 570.674 6.448 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409047275 1071826272 /nfs/dbraw/zinc/82/62/72/1071826272.db2.gz MCXYJLUFWWADPQ-LMGFFNHESA-N 0 0 753.849 5.874 40 10 KKCBRN CC(C)COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409047134 1071826328 /nfs/dbraw/zinc/82/63/28/1071826328.db2.gz MWQGXIVYLFANCT-UHFFFAOYSA-N 0 0 509.389 6.612 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047145 1071826496 /nfs/dbraw/zinc/82/64/96/1071826496.db2.gz MYTAMJCSWHFOQO-UHFFFAOYSA-N 0 0 677.305 7.282 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408779706 1071828062 /nfs/dbraw/zinc/82/80/62/1071828062.db2.gz ILWODKRGNXRILT-WOJGMQOQSA-N 0 0 501.848 6.865 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409046777 1071830786 /nfs/dbraw/zinc/83/07/86/1071830786.db2.gz MAEYRVWFZCGTMG-CIAFOILYSA-N 0 0 571.225 6.505 40 10 KKCBRN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409045743 1071840136 /nfs/dbraw/zinc/84/01/36/1071840136.db2.gz HKUZAMSNEFHQLI-WOJGMQOQSA-N 0 0 544.778 5.331 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408777424 1071842748 /nfs/dbraw/zinc/84/27/48/1071842748.db2.gz YWTMSWFRIBVBBG-MKRQMZSSSA-N 0 0 524.617 5.437 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409045237 1071842137 /nfs/dbraw/zinc/84/21/37/1071842137.db2.gz ICVZNEQZBMBYRW-LZYBPNLTSA-N 0 0 527.276 7.074 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)S2)cc1 ZINC000408778330 1071837663 /nfs/dbraw/zinc/83/76/63/1071837663.db2.gz DSUXKHYNUZECPL-OCDQFKQQSA-N 0 0 578.565 8.142 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409044930 1071844206 /nfs/dbraw/zinc/84/42/06/1071844206.db2.gz DJOJVBBNXMPLRZ-UHFFFAOYSA-N 0 0 596.437 6.050 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409044849 1071846621 /nfs/dbraw/zinc/84/66/21/1071846621.db2.gz CVIDVUJNJYVRRH-FRKPEAEDSA-N 0 0 670.097 6.672 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408786542 1071849830 /nfs/dbraw/zinc/84/98/30/1071849830.db2.gz KGPGNZJEFVIJKE-FDVSRXAVSA-N 0 0 505.687 6.332 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)S2)cc1 ZINC000408785307 1071857262 /nfs/dbraw/zinc/85/72/62/1071857262.db2.gz YIGUPLCQZVXBID-IMUCPKNRSA-N 0 0 588.571 7.598 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(F)cc1 ZINC000409043145 1071860587 /nfs/dbraw/zinc/86/05/87/1071860587.db2.gz ZSFYDQGERDDOIS-PXNMLYILSA-N 0 0 585.298 6.677 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(C)c1 ZINC000409042901 1071864310 /nfs/dbraw/zinc/86/43/10/1071864310.db2.gz LJZSEQYDHZOLSN-LZYBPNLTSA-N 0 0 581.335 6.847 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409041731 1071877111 /nfs/dbraw/zinc/87/71/11/1071877111.db2.gz VKNAFSMQDSVOJZ-ZDLGFXPLSA-N 0 0 526.421 6.099 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)cc1 ZINC000409041729 1071877151 /nfs/dbraw/zinc/87/71/51/1071877151.db2.gz VKMYDVWFOKOXAM-WOJGMQOQSA-N 0 0 517.454 5.772 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409042033 1071874499 /nfs/dbraw/zinc/87/44/99/1071874499.db2.gz XDIHJDWUNVFZIS-MKMNVTDBSA-N 0 0 650.623 7.946 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000409040511 1071888445 /nfs/dbraw/zinc/88/84/45/1071888445.db2.gz YOKPZJUJPSMPOY-MIUGUJGPSA-N 0 0 669.041 6.411 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)S2)cc1 ZINC000408791218 1071891670 /nfs/dbraw/zinc/89/16/70/1071891670.db2.gz XJBQVKMPNZVHMB-CWJUKMOQSA-N 0 0 541.633 6.352 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408788820 1071897232 /nfs/dbraw/zinc/89/72/32/1071897232.db2.gz HYRUJRVJBYUKCJ-HMAPJEAMSA-N 0 0 543.447 5.698 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039537 1071898023 /nfs/dbraw/zinc/89/80/23/1071898023.db2.gz GYLLEKOAMAIRFH-CHVOFWHOSA-N 0 0 804.749 7.042 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409038765 1071904234 /nfs/dbraw/zinc/90/42/34/1071904234.db2.gz VTCTWVSRGSBPSB-YBFXNURJSA-N 0 0 587.342 7.683 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1F ZINC000409038808 1071904762 /nfs/dbraw/zinc/90/47/62/1071904762.db2.gz POQJRCDEKVPNDJ-OVCLIPMQSA-N 0 0 554.874 6.958 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc(I)cc2OC)cc1 ZINC000409038644 1071905827 /nfs/dbraw/zinc/90/58/27/1071905827.db2.gz PWRSMZRDCLLAKM-ZDLGFXPLSA-N 0 0 686.371 6.557 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038750 1071906762 /nfs/dbraw/zinc/90/67/62/1071906762.db2.gz FMYSCLMPAFRFHL-SLDXWZKBSA-N 0 0 769.658 5.069 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc2ccccc21 ZINC000409038515 1071907344 /nfs/dbraw/zinc/90/73/44/1071907344.db2.gz VUSHVVXMVAFSDE-MOSHPQCFSA-N 0 0 538.472 6.929 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409038559 1071907912 /nfs/dbraw/zinc/90/79/12/1071907912.db2.gz PGRRFAZDTOUQOE-XIHDXPBISA-N 0 0 659.035 6.955 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409050598 1071911131 /nfs/dbraw/zinc/91/11/31/1071911131.db2.gz XOXRPTQTDLHWFH-PXNMLYILSA-N 0 0 615.780 7.582 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(I)c(C)c1 ZINC000409047390 1071915215 /nfs/dbraw/zinc/91/52/15/1071915215.db2.gz UFZHDCZDMUSXJL-SXGWCWSVSA-N 0 0 585.314 6.509 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409057259 1071918199 /nfs/dbraw/zinc/91/81/99/1071918199.db2.gz VHHCGQRKXLWEDT-YNMQQHPQSA-N 0 0 624.601 5.258 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409057252 1071918300 /nfs/dbraw/zinc/91/83/00/1071918300.db2.gz VEYIPHYTVGUYHH-BWAHOGKJSA-N 0 0 514.622 5.335 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409055568 1071926050 /nfs/dbraw/zinc/92/60/50/1071926050.db2.gz CMBQKZDABXWPGX-UCQKPKSFSA-N 0 0 518.997 5.720 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)SC2=S)cc1 ZINC000409055024 1071930556 /nfs/dbraw/zinc/93/05/56/1071930556.db2.gz XINHRSWUTUJBOJ-UUYOSTAYSA-N 0 0 634.371 7.409 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)SC2=S)cc1 ZINC000409054815 1071931058 /nfs/dbraw/zinc/93/10/58/1071931058.db2.gz VNWULNUWYPKAQP-UUYOSTAYSA-N 0 0 728.371 7.093 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000409054913 1071931605 /nfs/dbraw/zinc/93/16/05/1071931605.db2.gz WHYAHVBPCWAOKQ-PXNMLYILSA-N 0 0 607.276 5.614 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409054250 1071934166 /nfs/dbraw/zinc/93/41/66/1071934166.db2.gz ILQZZYZYZQINMB-UCQKPKSFSA-N 0 0 553.442 6.455 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409053265 1071940922 /nfs/dbraw/zinc/94/09/22/1071940922.db2.gz NTXRNQJOMWPIOD-MSXFZWOLSA-N 0 0 574.949 7.400 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409053924 1071937616 /nfs/dbraw/zinc/93/76/16/1071937616.db2.gz DRQRTOVZFUQXQK-UUYOSTAYSA-N 0 0 623.819 8.154 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409051206 1071952482 /nfs/dbraw/zinc/95/24/82/1071952482.db2.gz BVDJYTBGFJRDKY-OYKKKHCWSA-N 0 0 509.433 6.977 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000409050275 1071960113 /nfs/dbraw/zinc/96/01/13/1071960113.db2.gz TYNIZXLEHMQMPS-OQLLNIDSSA-N 0 0 571.727 7.183 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409049916 1071961209 /nfs/dbraw/zinc/96/12/09/1071961209.db2.gz YPUYIJQDGMAKSX-UDWIEESQSA-N 0 0 544.218 6.736 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)sc2=N1 ZINC000409049735 1071962135 /nfs/dbraw/zinc/96/21/35/1071962135.db2.gz ZVSVHTIUNYCNLO-DUCIMOQJSA-N 0 0 638.189 6.438 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409048360 1071972766 /nfs/dbraw/zinc/97/27/66/1071972766.db2.gz OCNKLEVVGOACOI-PXNMLYILSA-N 0 0 659.305 6.289 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048084 1071975644 /nfs/dbraw/zinc/97/56/44/1071975644.db2.gz RCXUCRAVCXWKSA-UHFFFAOYSA-N 0 0 687.490 6.209 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000409047882 1071976214 /nfs/dbraw/zinc/97/62/14/1071976214.db2.gz NOXKKZOGLFBKJC-MRWVFDTMSA-N 0 0 706.659 5.934 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409059130 1071982808 /nfs/dbraw/zinc/98/28/08/1071982808.db2.gz PQHIQRYNMXKSJF-RYOBIWAXSA-N 0 0 624.601 5.258 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409058848 1071984799 /nfs/dbraw/zinc/98/47/99/1071984799.db2.gz LRTLUSXZURCXHY-ITYLOYPMSA-N 0 0 514.622 6.077 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409058501 1071986646 /nfs/dbraw/zinc/98/66/46/1071986646.db2.gz NLTFUZYVESBQJM-HMAPJEAMSA-N 0 0 534.996 5.420 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409057599 1071991382 /nfs/dbraw/zinc/99/13/82/1071991382.db2.gz HMYUITLUTZVBFP-UOZQHNDTSA-N 0 0 607.776 5.631 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409057817 1071990790 /nfs/dbraw/zinc/99/07/90/1071990790.db2.gz ICMNZFCIGSGFRQ-KQWNVCNZSA-N 0 0 552.549 6.167 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409066551 1072002062 /nfs/dbraw/zinc/00/20/62/1072002062.db2.gz NKSVBFMWLIVHKG-UHFFFAOYSA-N 0 0 524.554 5.038 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409066573 1072002680 /nfs/dbraw/zinc/00/26/80/1072002680.db2.gz WBIQMXCUPMKTJI-HAHDFKILSA-N 0 0 559.022 6.427 40 10 KKCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccc(I)cc2)c1 ZINC000409067036 1071999092 /nfs/dbraw/zinc/99/90/92/1071999092.db2.gz IVSOHBJEKYSWDC-UHFFFAOYSA-N 0 0 687.603 7.465 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409067053 1071999815 /nfs/dbraw/zinc/99/98/15/1071999815.db2.gz OTQLFBDCPAYOHM-XDHOZWIPSA-N 0 0 576.266 5.785 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409066868 1072000380 /nfs/dbraw/zinc/00/03/80/1072000380.db2.gz XBRRFSAISUZVQX-BIWBSIMWSA-N 0 0 546.092 5.168 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409065906 1072007125 /nfs/dbraw/zinc/00/71/25/1072007125.db2.gz GHHLLLWMAIWBFR-OYKKKHCWSA-N 0 0 553.884 7.086 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409065832 1072006601 /nfs/dbraw/zinc/00/66/01/1072006601.db2.gz UNVUCOLKNZTAPH-RISWYLRJSA-N 0 0 566.510 5.513 40 10 KKCBRN O=C1C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409064255 1072016505 /nfs/dbraw/zinc/01/65/05/1072016505.db2.gz CKOLMYJNMVCPDM-UHFFFAOYSA-N 0 0 593.444 6.345 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409061745 1072027348 /nfs/dbraw/zinc/02/73/48/1072027348.db2.gz HCWIVDVKYCLGEQ-HAHDFKILSA-N 0 0 508.540 6.607 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409061340 1072030464 /nfs/dbraw/zinc/03/04/64/1072030464.db2.gz ZHEYJISSZHMNJU-QFEZKATASA-N 0 0 505.014 5.937 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409060879 1072031755 /nfs/dbraw/zinc/03/17/55/1072031755.db2.gz WWANVPHBEDTEMD-IWIPYMOSSA-N 0 0 552.494 5.567 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409074444 1072040426 /nfs/dbraw/zinc/04/04/26/1072040426.db2.gz ZNLXCNJGBVYKAV-JFLMPSFJSA-N 0 0 515.972 6.563 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409075704 1072057427 /nfs/dbraw/zinc/05/74/27/1072057427.db2.gz ZEKSRMXFBMOWJO-MYYYXRDXSA-N 0 0 519.439 6.351 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409071852 1072087057 /nfs/dbraw/zinc/08/70/57/1072087057.db2.gz SLJKIVSVNLTMQQ-UHFFFAOYSA-N 0 0 603.052 6.090 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409070994 1072092853 /nfs/dbraw/zinc/09/28/53/1072092853.db2.gz NWMUJHFHFAYPRY-XTGQZIRNSA-N 0 0 591.777 5.968 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409068198 1072113593 /nfs/dbraw/zinc/11/35/93/1072113593.db2.gz HSDIKWOCASTWOT-ZMOGYAJESA-N 0 0 508.380 6.537 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000409068187 1072113676 /nfs/dbraw/zinc/11/36/76/1072113676.db2.gz KNZGOHMVGNDLQA-OYKKKHCWSA-N 0 0 505.014 6.250 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409068563 1072109773 /nfs/dbraw/zinc/10/97/73/1072109773.db2.gz RXTCJFQJDUMQRZ-UHFFFAOYSA-N 0 0 716.791 7.216 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409080862 1072118747 /nfs/dbraw/zinc/11/87/47/1072118747.db2.gz OCOQIHPYEONWED-XYGWBWBKSA-N 0 0 631.426 6.622 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409080689 1072120181 /nfs/dbraw/zinc/12/01/81/1072120181.db2.gz MGVKOFYRXQNYOE-UZQMFHLOSA-N 0 0 534.497 5.725 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409080719 1072120608 /nfs/dbraw/zinc/12/06/08/1072120608.db2.gz MJVXZXSVTGRMDG-ZPZBNPFISA-N 0 0 540.504 6.562 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409080148 1072126034 /nfs/dbraw/zinc/12/60/34/1072126034.db2.gz MBSWNORMIXQEQV-UZWMFBFFSA-N 0 0 738.647 8.787 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409080177 1072126501 /nfs/dbraw/zinc/12/65/01/1072126501.db2.gz MJEXQSWAHXPVJY-UMUMUWHJSA-N 0 0 568.942 6.460 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079657 1072130720 /nfs/dbraw/zinc/13/07/20/1072130720.db2.gz LPEZKUAGVXKEIS-OYKKKHCWSA-N 0 0 568.287 8.714 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409080028 1072127920 /nfs/dbraw/zinc/12/79/20/1072127920.db2.gz CYZIWXYSWZRERH-UHFFFAOYSA-N 0 0 652.379 7.752 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)NC1=S ZINC000409079540 1072132757 /nfs/dbraw/zinc/13/27/57/1072132757.db2.gz GNBFIQDIUYMBLO-MFOYZWKCSA-N 0 0 579.141 6.565 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409079226 1072135920 /nfs/dbraw/zinc/13/59/20/1072135920.db2.gz KPANMPINSRUECJ-BCUAHEQISA-N 0 0 538.460 5.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409079077 1072137681 /nfs/dbraw/zinc/13/76/81/1072137681.db2.gz KBHKBWMSSRVKLL-RKQRPNFGSA-N 0 0 589.360 6.724 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087083 1072158222 /nfs/dbraw/zinc/15/82/22/1072158222.db2.gz AMCWHXGVFDQROR-XIHDXPBISA-N 0 0 668.585 5.515 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087190 1072159231 /nfs/dbraw/zinc/15/92/31/1072159231.db2.gz GWVBJLDSVBTWJO-JLPGSUDCSA-N 0 0 672.782 7.467 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409086512 1072163954 /nfs/dbraw/zinc/16/39/54/1072163954.db2.gz DZSGIMCWRTUJGJ-HDOAHBKWSA-N 0 0 535.441 5.317 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409086180 1072170426 /nfs/dbraw/zinc/17/04/26/1072170426.db2.gz GFIPFMYGFUVXOA-BUVRLJJBSA-N 0 0 615.546 7.434 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409086235 1072168159 /nfs/dbraw/zinc/16/81/59/1072168159.db2.gz UVELYMKEELALHZ-UHFFFAOYSA-N 0 0 555.999 6.983 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409086189 1072170960 /nfs/dbraw/zinc/17/09/60/1072170960.db2.gz GHYFYRTWCOAMBW-MQCBVOCZSA-N 0 0 673.666 6.980 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409085730 1072175353 /nfs/dbraw/zinc/17/53/53/1072175353.db2.gz CXLYVFFXERCZEL-UHFFFAOYSA-N 0 0 731.275 8.514 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000409085372 1072178334 /nfs/dbraw/zinc/17/83/34/1072178334.db2.gz XBYNAKPCEIHTOS-DXUGRCAZSA-N 0 0 714.629 6.203 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409084064 1072193335 /nfs/dbraw/zinc/19/33/35/1072193335.db2.gz WHVHQRHLROFDHY-BRPDVVIDSA-N 0 0 549.457 8.560 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409083706 1072199175 /nfs/dbraw/zinc/19/91/75/1072199175.db2.gz LMCZYNIMOKLHOX-UHFFFAOYSA-N 0 0 619.373 7.186 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000409083148 1072202466 /nfs/dbraw/zinc/20/24/66/1072202466.db2.gz UUHDIIWSCFACRP-ASUJOLEISA-N 0 0 592.696 5.429 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409082718 1072207105 /nfs/dbraw/zinc/20/71/05/1072207105.db2.gz SNRDUHXBAZOTQP-DZGUVLCISA-N 0 0 742.236 6.618 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000409082050 1072216965 /nfs/dbraw/zinc/21/69/65/1072216965.db2.gz RIMUFZNMRINGSQ-DAEIYAEYSA-N 0 0 650.804 6.957 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Cl)cc1 ZINC000409082098 1072217454 /nfs/dbraw/zinc/21/74/54/1072217454.db2.gz RPZISYBTAKNPNW-XYGWBWBKSA-N 0 0 513.424 7.715 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409081319 1072224543 /nfs/dbraw/zinc/22/45/43/1072224543.db2.gz PMFCLSKUOKMJJR-HQOKVJKCSA-N 0 0 554.915 6.070 40 10 KKCBRN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081340 1072224929 /nfs/dbraw/zinc/22/49/29/1072224929.db2.gz PNVAVMKZOXGXLS-ULJHMMPZSA-N 0 0 549.435 6.596 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc2ccccc21 ZINC000409327271 1072241003 /nfs/dbraw/zinc/24/10/03/1072241003.db2.gz ITGIAHZZQGEWCK-MYYYXRDXSA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000409327263 1072241087 /nfs/dbraw/zinc/24/10/87/1072241087.db2.gz IRNZJPZJLCLPFK-WJDWOHSUSA-N 0 0 503.427 5.232 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409327047 1072243183 /nfs/dbraw/zinc/24/31/83/1072243183.db2.gz HCCCQNSHJDGZQE-MSXFZWOLSA-N 0 0 534.615 5.156 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409327097 1072243750 /nfs/dbraw/zinc/24/37/50/1072243750.db2.gz HXHJXPKMOXQWJU-LSHDLFTRSA-N 0 0 611.506 6.392 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409326910 1072244038 /nfs/dbraw/zinc/24/40/38/1072244038.db2.gz GJVDSSZCFNBSSG-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1Cl ZINC000409326875 1072244078 /nfs/dbraw/zinc/24/40/78/1072244078.db2.gz FUBHBXMIKPEKIA-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094758 1072244313 /nfs/dbraw/zinc/24/43/13/1072244313.db2.gz GAKJCIGOUXQNLP-NNAGEYCMSA-N 0 0 573.162 5.473 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409326463 1072248110 /nfs/dbraw/zinc/24/81/10/1072248110.db2.gz BXCQQWANDSOPPW-UFFVCSGVSA-N 0 0 566.966 7.474 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC ZINC000409326406 1072247113 /nfs/dbraw/zinc/24/71/13/1072247113.db2.gz BKKLKPVYYOSAEV-GIJQJNRQSA-N 0 0 508.415 5.381 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000409093317 1072255193 /nfs/dbraw/zinc/25/51/93/1072255193.db2.gz ZYZRRFOOOXQWFX-YDZHTSKRSA-N 0 0 520.567 5.076 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409092968 1072257440 /nfs/dbraw/zinc/25/74/40/1072257440.db2.gz XELJXWCRSSIZEV-UHFFFAOYSA-N 0 0 731.275 8.514 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000409092905 1072259830 /nfs/dbraw/zinc/25/98/30/1072259830.db2.gz XTPZJRAHFPDVCX-ITYLOYPMSA-N 0 0 509.005 7.152 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092689 1072260262 /nfs/dbraw/zinc/26/02/62/1072260262.db2.gz VQISBJAZRMJOPS-YBFXNURJSA-N 0 0 590.352 7.373 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)c(Br)c3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409091864 1072268316 /nfs/dbraw/zinc/26/83/16/1072268316.db2.gz SSTFKXQCMXVTDQ-HRIDGTDGSA-N 0 0 678.605 5.154 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)NC1=S ZINC000409092008 1072267160 /nfs/dbraw/zinc/26/71/60/1072267160.db2.gz SFRDOVSMFYLCPT-YVLHZVERSA-N 0 0 528.241 5.397 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409091113 1072275165 /nfs/dbraw/zinc/27/51/65/1072275165.db2.gz PIWDKNULIBWQHZ-ONUIUJJFSA-N 0 0 509.005 7.071 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409091539 1072270514 /nfs/dbraw/zinc/27/05/14/1072270514.db2.gz RCULOVOKKBXFFV-UUMRFZBWSA-N 0 0 548.524 6.115 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409090144 1072282586 /nfs/dbraw/zinc/28/25/86/1072282586.db2.gz LMWGJXLKPBAXBH-UQQQWYQISA-N 0 0 543.848 7.516 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409089220 1072292311 /nfs/dbraw/zinc/29/23/11/1072292311.db2.gz YXDQJVIVGHHTJT-XHPQRKPJSA-N 0 0 524.598 5.606 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088599 1072296685 /nfs/dbraw/zinc/29/66/85/1072296685.db2.gz FSSTYIOLEOMHFR-BWAHOGKJSA-N 0 0 593.886 6.705 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088521 1072298536 /nfs/dbraw/zinc/29/85/36/1072298536.db2.gz FYBXIJZDUWXHQH-QRVIBDJDSA-N 0 0 568.287 8.714 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409087896 1072304415 /nfs/dbraw/zinc/30/44/15/1072304415.db2.gz UWPMYWINXBUHCZ-BCUAHEQISA-N 0 0 565.467 5.325 40 10 KKCBRN CC(C)Oc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409102259 1072310153 /nfs/dbraw/zinc/31/01/53/1072310153.db2.gz YHOGDUMYEQBHNB-OEAKJJBVSA-N 0 0 571.493 7.034 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(OC)c1OC ZINC000409098662 1072329864 /nfs/dbraw/zinc/32/98/64/1072329864.db2.gz RAORSRBWVQVEJT-LPYMAVHISA-N 0 0 524.595 5.510 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OC(C)C ZINC000409098413 1072332260 /nfs/dbraw/zinc/33/22/60/1072332260.db2.gz ORAIYULHLXVAIF-YDZHTSKRSA-N 0 0 601.519 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409335912 1072334968 /nfs/dbraw/zinc/33/49/68/1072334968.db2.gz ZQALLFJJLMQBJO-BKUYFWCQSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409334847 1072342007 /nfs/dbraw/zinc/34/20/07/1072342007.db2.gz WPCXZYYJLNTSNN-QRVIBDJDSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1O ZINC000409097459 1072336964 /nfs/dbraw/zinc/33/69/64/1072336964.db2.gz IOGPOAMLRSKWTO-CIAFOILYSA-N 0 0 573.465 6.351 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc12 ZINC000409106785 1072342184 /nfs/dbraw/zinc/34/21/84/1072342184.db2.gz UIYWHUYLVJRGOP-YZSQISJMSA-N 0 0 528.630 7.036 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409335662 1072337749 /nfs/dbraw/zinc/33/77/49/1072337749.db2.gz YELUJHHSBRSHKG-FOKLQQMPSA-N 0 0 659.838 8.801 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409335171 1072340298 /nfs/dbraw/zinc/34/02/98/1072340298.db2.gz ZCOHSBGPFSAWOX-YBEGLDIGSA-N 0 0 531.824 5.758 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 ZINC000409106899 1072341505 /nfs/dbraw/zinc/34/15/05/1072341505.db2.gz PBBRKEXYUPAEHK-MFKUBSTISA-N 0 0 503.624 5.785 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409335031 1072341733 /nfs/dbraw/zinc/34/17/33/1072341733.db2.gz XHTKMYKZPUDGDO-UUYOSTAYSA-N 0 0 613.357 8.279 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409334602 1072344690 /nfs/dbraw/zinc/34/46/90/1072344690.db2.gz HPZLTGZZNYBJBU-HZHRSRAPSA-N 0 0 612.466 5.507 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409334240 1072348484 /nfs/dbraw/zinc/34/84/84/1072348484.db2.gz VJIFRVNDEGKJPY-VCHYOVAHSA-N 0 0 566.252 6.786 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1 ZINC000409333683 1072351151 /nfs/dbraw/zinc/35/11/51/1072351151.db2.gz VDOMPPYMRBBFGW-ONUIUJJFSA-N 0 0 526.639 5.974 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1Br ZINC000409332880 1072357655 /nfs/dbraw/zinc/35/76/55/1072357655.db2.gz SBDCNDCSXUEPSY-RQZCQDPDSA-N 0 0 510.456 5.129 40 10 KKCBRN CCCCCOc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cccc1OC ZINC000409104921 1072352153 /nfs/dbraw/zinc/35/21/53/1072352153.db2.gz LFRDZLBHTKKJSC-XIEYBQDHSA-N 0 0 550.677 7.061 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409333609 1072352815 /nfs/dbraw/zinc/35/28/15/1072352815.db2.gz KQIZYCKHYJSZMT-FUFNRSNVSA-N 0 0 621.115 5.466 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4C)c(OC)c3)SC2=S)cc1Cl ZINC000409333644 1072353004 /nfs/dbraw/zinc/35/30/04/1072353004.db2.gz UZBLPYWQWWDWRN-BRJLIKDPSA-N 0 0 648.000 7.160 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409333381 1072353284 /nfs/dbraw/zinc/35/32/84/1072353284.db2.gz SEDXQTVTYICOAW-BOPFTXTBSA-N 0 0 588.876 5.288 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409104854 1072353504 /nfs/dbraw/zinc/35/35/04/1072353504.db2.gz IWBPXPOOCLNUMT-STBIYBPSSA-N 0 0 629.691 7.370 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409333472 1072353829 /nfs/dbraw/zinc/35/38/29/1072353829.db2.gz TYISEIVOGXFQSZ-JJFYIABZSA-N 0 0 676.812 8.635 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409333507 1072354148 /nfs/dbraw/zinc/35/41/48/1072354148.db2.gz UDPSAVYMPCRSLW-GIJQJNRQSA-N 0 0 556.246 7.330 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c1 ZINC000409104526 1072354790 /nfs/dbraw/zinc/35/47/90/1072354790.db2.gz JKGGVSMKMZMRRT-JVWAILMASA-N 0 0 575.086 7.716 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409333340 1072355121 /nfs/dbraw/zinc/35/51/21/1072355121.db2.gz RZGPZTSTOCWAKT-JJFYIABZSA-N 0 0 541.538 6.239 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333047 1072356848 /nfs/dbraw/zinc/35/68/48/1072356848.db2.gz BICUZRYMZXEMNN-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409331782 1072366052 /nfs/dbraw/zinc/36/60/52/1072366052.db2.gz PTKOYBPWNVWCRL-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1 ZINC000409332606 1072360299 /nfs/dbraw/zinc/36/02/99/1072360299.db2.gz QPDQUIXVSYEVSH-MFKUBSTISA-N 0 0 597.556 6.888 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409332391 1072360748 /nfs/dbraw/zinc/36/07/48/1072360748.db2.gz QLTYVLXZZCJPEF-IWIPYMOSSA-N 0 0 554.531 7.449 40 10 KKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409103153 1072361882 /nfs/dbraw/zinc/36/18/82/1072361882.db2.gz BDAIYWYIHGFPMW-LFVJCYFKSA-N 0 0 506.624 6.663 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000409332235 1072361975 /nfs/dbraw/zinc/36/19/75/1072361975.db2.gz PWNISTNQCVHVJC-LPYMAVHISA-N 0 0 514.441 6.881 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409332086 1072363322 /nfs/dbraw/zinc/36/33/22/1072363322.db2.gz PYVQKMWCYNRIKG-BKUYFWCQSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409332094 1072363893 /nfs/dbraw/zinc/36/38/93/1072363893.db2.gz PJJMXLQZTKSVBY-FBHDLOMBSA-N 0 0 662.785 8.245 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409332161 1072364200 /nfs/dbraw/zinc/36/42/00/1072364200.db2.gz PQFZMVACBMYHRH-LPYMAVHISA-N 0 0 544.576 6.137 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409332200 1072364608 /nfs/dbraw/zinc/36/46/08/1072364608.db2.gz PUYYEYVPOFCZNB-MWLSYYOVSA-N 0 0 593.601 8.978 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409331780 1072366018 /nfs/dbraw/zinc/36/60/18/1072366018.db2.gz PTHSSINNECDPLU-RPPGKUMJSA-N 0 0 606.682 5.593 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409331015 1072373811 /nfs/dbraw/zinc/37/38/11/1072373811.db2.gz NYVRPIUOVCTTOL-SXGWCWSVSA-N 0 0 620.284 5.020 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409330901 1072372900 /nfs/dbraw/zinc/37/29/00/1072372900.db2.gz NLKFZDNSQUOREA-HYARGMPZSA-N 0 0 550.515 7.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409331861 1072366494 /nfs/dbraw/zinc/36/64/94/1072366494.db2.gz OYLWJURNVACMCE-IWIPYMOSSA-N 0 0 504.633 5.423 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409331841 1072366622 /nfs/dbraw/zinc/36/66/22/1072366622.db2.gz OOEGMLFCTIIETA-LSHDLFTRSA-N 0 0 635.355 6.934 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409331648 1072367389 /nfs/dbraw/zinc/36/73/89/1072367389.db2.gz OTFWHAVXPGKSKE-FMCGGJTJSA-N 0 0 608.938 7.634 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1cccc(Cl)c1 ZINC000409331699 1072367482 /nfs/dbraw/zinc/36/74/82/1072367482.db2.gz PASYRLUPDCKQGB-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409331492 1072368276 /nfs/dbraw/zinc/36/82/76/1072368276.db2.gz NJDZWHVCILYEHF-WQRHYEAKSA-N 0 0 525.433 5.721 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409331771 1072368359 /nfs/dbraw/zinc/36/83/59/1072368359.db2.gz PQZOGYYMUCKUNH-JJFYIABZSA-N 0 0 536.889 7.640 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409331484 1072368510 /nfs/dbraw/zinc/36/85/10/1072368510.db2.gz NHLISSFJCJIBDD-MTJSOVHGSA-N 0 0 548.430 6.721 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409331587 1072368750 /nfs/dbraw/zinc/36/87/50/1072368750.db2.gz NVXHOXIUWQKRSR-JJFYIABZSA-N 0 0 520.434 7.126 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409331608 1072369137 /nfs/dbraw/zinc/36/91/37/1072369137.db2.gz NXKMASTUAPITPN-YDZHTSKRSA-N 0 0 551.602 5.035 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409331006 1072373386 /nfs/dbraw/zinc/37/33/86/1072373386.db2.gz NXNLJPUXLMYBND-XKZIYDEJSA-N 0 0 600.472 5.491 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409330871 1072374570 /nfs/dbraw/zinc/37/45/70/1072374570.db2.gz NHGOLDIBOPBKMB-SSDVNMTOSA-N 0 0 624.365 6.890 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000409329966 1072381476 /nfs/dbraw/zinc/38/14/76/1072381476.db2.gz ILGIKCYOTUTTNI-UNOMPAQXSA-N 0 0 573.905 6.534 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)cc1 ZINC000409330345 1072377184 /nfs/dbraw/zinc/37/71/84/1072377184.db2.gz LHSGFICRUGESQJ-OEAKJJBVSA-N 0 0 516.471 7.377 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409330179 1072378132 /nfs/dbraw/zinc/37/81/32/1072378132.db2.gz KDQVFQYBBFBSKF-ZDLGFXPLSA-N 0 0 575.877 6.156 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409330187 1072378534 /nfs/dbraw/zinc/37/85/34/1072378534.db2.gz KIRZSFYOBSOKMT-ODLFYWEKSA-N 0 0 510.509 5.105 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409330139 1072379955 /nfs/dbraw/zinc/37/99/55/1072379955.db2.gz JKFYERIJMVPZSP-AWQFTUOYSA-N 0 0 615.836 8.228 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S)c1ccc(Cl)cc1 ZINC000409329928 1072380916 /nfs/dbraw/zinc/38/09/16/1072380916.db2.gz IWJVVEBARSESLD-RGVLZGJSSA-N 0 0 732.790 6.674 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409329954 1072381041 /nfs/dbraw/zinc/38/10/41/1072381041.db2.gz JBWIUQASUBCCNT-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409329927 1072381063 /nfs/dbraw/zinc/38/10/63/1072381063.db2.gz IDCWKSNTVVQTCH-BUVRLJJBSA-N 0 0 555.077 5.873 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329939 1072381080 /nfs/dbraw/zinc/38/10/80/1072381080.db2.gz IZHLCLMQBVQGOF-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409329830 1072382520 /nfs/dbraw/zinc/38/25/20/1072382520.db2.gz HFOAWKAESXRFOO-YDZHTSKRSA-N 0 0 625.393 8.148 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409329627 1072383449 /nfs/dbraw/zinc/38/34/49/1072383449.db2.gz GMTBGCYKYZKQRE-WPWMEQJKSA-N 0 0 696.588 6.977 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409329694 1072383997 /nfs/dbraw/zinc/38/39/97/1072383997.db2.gz HOICVYCHAFJEKG-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409329459 1072384392 /nfs/dbraw/zinc/38/43/92/1072384392.db2.gz GBESAEZCNJYMJL-JCMHNJIXSA-N 0 0 532.525 6.961 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409329540 1072384900 /nfs/dbraw/zinc/38/49/00/1072384900.db2.gz FNETVUXXQUHSOI-FBHDLOMBSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409329410 1072385695 /nfs/dbraw/zinc/38/56/95/1072385695.db2.gz FKXKLUAJWMLJEJ-MSXFZWOLSA-N 0 0 530.498 7.604 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409329041 1072387553 /nfs/dbraw/zinc/38/75/53/1072387553.db2.gz CITRVLDSRQRXRS-WGARJPEWSA-N 0 0 639.980 7.688 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409329033 1072387610 /nfs/dbraw/zinc/38/76/10/1072387610.db2.gz CHQKJPHBXPHJPQ-FYJGNVAPSA-N 0 0 525.995 5.373 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)cc1 ZINC000409329020 1072387613 /nfs/dbraw/zinc/38/76/13/1072387613.db2.gz CGHMJPFOXKJPRO-MYYYXRDXSA-N 0 0 530.650 5.891 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409329127 1072388077 /nfs/dbraw/zinc/38/80/77/1072388077.db2.gz CWORBWWWURDZGO-UCQKPKSFSA-N 0 0 637.948 7.337 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC ZINC000409328889 1072388528 /nfs/dbraw/zinc/38/85/28/1072388528.db2.gz BVYHYVCFXSJJPH-SXGWCWSVSA-N 0 0 565.376 6.123 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409328900 1072389038 /nfs/dbraw/zinc/38/90/38/1072389038.db2.gz ACBWKOJJYKYLFD-UNOMPAQXSA-N 0 0 544.408 5.959 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)cc1 ZINC000409328765 1072389851 /nfs/dbraw/zinc/38/98/51/1072389851.db2.gz AVSVTUSCAWZVEU-LPYMAVHISA-N 0 0 623.363 7.734 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1Cl ZINC000409328773 1072389952 /nfs/dbraw/zinc/38/99/52/1072389952.db2.gz AXEAXCPQLHJUSE-NKVSQWTQSA-N 0 0 523.894 7.469 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409328571 1072390837 /nfs/dbraw/zinc/39/08/37/1072390837.db2.gz XUFYHJKONDQHEQ-LSHDLFTRSA-N 0 0 663.364 9.158 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409328601 1072390854 /nfs/dbraw/zinc/39/08/54/1072390854.db2.gz YLQUPLNBXDDUKB-ZMOGYAJESA-N 0 0 633.973 6.933 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409328642 1072391398 /nfs/dbraw/zinc/39/13/98/1072391398.db2.gz ZGOLKTPYKGBGGY-LSFURLLWSA-N 0 0 615.785 8.403 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328429 1072391791 /nfs/dbraw/zinc/39/17/91/1072391791.db2.gz VCHXCUVZGJHXKY-AFUMVMLFSA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409328555 1072393260 /nfs/dbraw/zinc/39/32/60/1072393260.db2.gz XNJRDAUKCMZFJS-OMCISZLKSA-N 0 0 505.242 6.266 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409328338 1072393554 /nfs/dbraw/zinc/39/35/54/1072393554.db2.gz SLALNAXHNCOPBQ-CIAFOILYSA-N 0 0 572.418 6.250 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000409328130 1072394016 /nfs/dbraw/zinc/39/40/16/1072394016.db2.gz PIICLCMDXNPNDZ-ZMOGYAJESA-N 0 0 504.677 5.709 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409327783 1072398813 /nfs/dbraw/zinc/39/88/13/1072398813.db2.gz MVUYPYOPPOJXFP-MFKUBSTISA-N 0 0 520.632 6.595 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000409327398 1072400780 /nfs/dbraw/zinc/40/07/80/1072400780.db2.gz JLIMOKKHPFHLBB-QRVIBDJDSA-N 0 0 504.612 5.375 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409108765 1072404649 /nfs/dbraw/zinc/40/46/49/1072404649.db2.gz VVIXZGFLDWIVPC-ZJOBTTRRSA-N 0 0 582.770 5.112 40 10 KKCBRN CC(C)N(C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1)C(C)C ZINC000409337117 1072405316 /nfs/dbraw/zinc/40/53/16/1072405316.db2.gz XCWJWZCVSRLANH-UHFFFAOYSA-N 0 0 558.707 8.124 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409108417 1072406919 /nfs/dbraw/zinc/40/69/19/1072406919.db2.gz XQUQXSLYIUTDJG-STBIYBPSSA-N 0 0 619.139 8.115 40 10 KKCBRN Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCC[C@H]5C)cc4N4CCCC[C@H]4C)c(=O)n3c2cc1C ZINC000409336837 1072408097 /nfs/dbraw/zinc/40/80/97/1072408097.db2.gz QMQMLZYBHSOUEP-RJKBXKCVSA-N 0 0 545.709 5.740 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409346980 1072410156 /nfs/dbraw/zinc/41/01/56/1072410156.db2.gz MYQJYWASEAIZFM-VYYCAZPPSA-N 0 0 555.681 6.340 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409346834 1072411151 /nfs/dbraw/zinc/41/11/51/1072411151.db2.gz OKKFICVWYSMLSP-BUVRLJJBSA-N 0 0 504.633 5.423 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409346888 1072411801 /nfs/dbraw/zinc/41/18/01/1072411801.db2.gz OQSMKRKKOVTCHR-FMCGGJTJSA-N 0 0 516.471 7.295 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409346859 1072411815 /nfs/dbraw/zinc/41/18/15/1072411815.db2.gz LRAIBLRXTHUMBX-UUYOSTAYSA-N 0 0 546.548 7.129 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409346759 1072413529 /nfs/dbraw/zinc/41/35/29/1072413529.db2.gz OLTDZEYHEVWINT-HMAPJEAMSA-N 0 0 589.476 6.293 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409346523 1072413844 /nfs/dbraw/zinc/41/38/44/1072413844.db2.gz KGSUYMLKAGNSIS-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409107415 1072414235 /nfs/dbraw/zinc/41/42/35/1072414235.db2.gz RSBRERDXHQRRDS-BIZUNTBRSA-N 0 0 620.727 8.225 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409346581 1072414468 /nfs/dbraw/zinc/41/44/68/1072414468.db2.gz NRDHKIBJUSUBPL-KSEXSDGBSA-N 0 0 641.461 8.861 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1 ZINC000409346551 1072414498 /nfs/dbraw/zinc/41/44/98/1072414498.db2.gz LIRJNQWVGITLNB-LPYMAVHISA-N 0 0 542.616 5.085 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409346653 1072415033 /nfs/dbraw/zinc/41/50/33/1072415033.db2.gz LTHHRDYREQBNFU-FMCGGJTJSA-N 0 0 543.041 6.301 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409346382 1072415089 /nfs/dbraw/zinc/41/50/89/1072415089.db2.gz KCVHGJWPCOGAKZ-JJFYIABZSA-N 0 0 520.434 7.126 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 ZINC000409123183 1072416903 /nfs/dbraw/zinc/41/69/03/1072416903.db2.gz FLCPCVCIQZWPFP-OCKHKDLRSA-N 0 0 508.507 5.129 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409345987 1072419077 /nfs/dbraw/zinc/41/90/77/1072419077.db2.gz MCDYXRKTOQMJEI-AQHIEDMUSA-N 0 0 639.376 7.868 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409345811 1072420099 /nfs/dbraw/zinc/42/00/99/1072420099.db2.gz JYSKFZMKMOCOLJ-FOKLQQMPSA-N 0 0 572.926 7.196 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409345780 1072422261 /nfs/dbraw/zinc/42/22/61/1072422261.db2.gz LWBLJUYTXYETBA-MXAYSNPKSA-N 0 0 630.670 6.883 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409345444 1072424732 /nfs/dbraw/zinc/42/47/32/1072424732.db2.gz IMAYGICQHGRVAB-RWPZCVJISA-N 0 0 555.721 7.376 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1Cl ZINC000409345239 1072425288 /nfs/dbraw/zinc/42/52/88/1072425288.db2.gz KVURZRSLTSLIAO-MTJSOVHGSA-N 0 0 593.060 5.439 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1O ZINC000409344678 1072430546 /nfs/dbraw/zinc/43/05/46/1072430546.db2.gz GICCGHIMAFKBHD-OVCLIPMQSA-N 0 0 515.419 5.133 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409344402 1072432819 /nfs/dbraw/zinc/43/28/19/1072432819.db2.gz JJGOVSLDRSLWCK-LPYMAVHISA-N 0 0 648.944 6.535 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000409344462 1072433457 /nfs/dbraw/zinc/43/34/57/1072433457.db2.gz JRHQXUAKFZSOAG-PKAZHMFMSA-N 0 0 532.086 7.877 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409343625 1072438399 /nfs/dbraw/zinc/43/83/99/1072438399.db2.gz HXMGLCXATGCCPH-HYARGMPZSA-N 0 0 526.477 6.751 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409343617 1072438404 /nfs/dbraw/zinc/43/84/04/1072438404.db2.gz FDUSOGSMGBIZQX-BUVRLJJBSA-N 0 0 567.530 6.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409343655 1072439064 /nfs/dbraw/zinc/43/90/64/1072439064.db2.gz HZVTZNUGTQTKAX-ZVHZXABRSA-N 0 0 538.672 6.700 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1 ZINC000409343315 1072440764 /nfs/dbraw/zinc/44/07/64/1072440764.db2.gz GLXKXJJGIGDOPO-MTJSOVHGSA-N 0 0 531.581 5.668 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409343392 1072441164 /nfs/dbraw/zinc/44/11/64/1072441164.db2.gz GOXQZCWJDXNSPH-AFPJDJCSSA-N 0 0 626.337 7.658 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409343372 1072441204 /nfs/dbraw/zinc/44/12/04/1072441204.db2.gz GMRGJNVANPQQFO-YDZHTSKRSA-N 0 0 595.367 8.139 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(C)c1 ZINC000409343420 1072441755 /nfs/dbraw/zinc/44/17/55/1072441755.db2.gz GSDMHBBCPOKCFQ-UUYOSTAYSA-N 0 0 623.819 8.467 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1 ZINC000409343036 1072443701 /nfs/dbraw/zinc/44/37/01/1072443701.db2.gz FUOWSVIFRWMLMO-CIAFOILYSA-N 0 0 560.878 6.736 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409342772 1072446046 /nfs/dbraw/zinc/44/60/46/1072446046.db2.gz FAJYMNNYJNGJRF-HAHDFKILSA-N 0 0 540.504 7.141 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409342800 1072446566 /nfs/dbraw/zinc/44/65/66/1072446566.db2.gz FLUZTVJFYCICMD-VCHYOVAHSA-N 0 0 509.823 6.453 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409342617 1072447526 /nfs/dbraw/zinc/44/75/26/1072447526.db2.gz DYAVFVJLAHCPMH-NVMNQCDNSA-N 0 0 522.410 6.519 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1 ZINC000409342672 1072447576 /nfs/dbraw/zinc/44/75/76/1072447576.db2.gz CDGGNSJBFXXYPY-WQRHYEAKSA-N 0 0 522.898 7.561 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000409342304 1072449092 /nfs/dbraw/zinc/44/90/92/1072449092.db2.gz DEDGZCXFTMGPEV-VUTHCHCSSA-N 0 0 503.648 7.978 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)SC2=S)cc1Cl ZINC000409342406 1072449745 /nfs/dbraw/zinc/44/97/45/1072449745.db2.gz DOOQRFLWPJWHAH-DHRITJCHSA-N 0 0 569.104 6.397 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409342025 1072451516 /nfs/dbraw/zinc/45/15/16/1072451516.db2.gz CTJKSPOUXGSVGJ-RGVLZGJSSA-N 0 0 674.661 8.612 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409342082 1072451964 /nfs/dbraw/zinc/45/19/64/1072451964.db2.gz BJFWNGGEGKTXQN-XKZIYDEJSA-N 0 0 530.440 6.582 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409342100 1072451988 /nfs/dbraw/zinc/45/19/88/1072451988.db2.gz BXHZMVFTSFMTSD-HZHRSRAPSA-N 0 0 646.528 5.824 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c(C)c1 ZINC000409342136 1072452555 /nfs/dbraw/zinc/45/25/55/1072452555.db2.gz CETXAKTURPWARV-YUMHPJSZSA-N 0 0 516.087 8.095 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409341913 1072453849 /nfs/dbraw/zinc/45/38/49/1072453849.db2.gz CHJOXHJIWPKRLD-XKZIYDEJSA-N 0 0 534.461 7.516 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409341800 1072455002 /nfs/dbraw/zinc/45/50/02/1072455002.db2.gz BWMXLJYDWCDUHX-IWIPYMOSSA-N 0 0 555.519 6.509 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409126103 1072455004 /nfs/dbraw/zinc/45/50/04/1072455004.db2.gz NWFBQQGTEKZJBS-OYKKKHCWSA-N 0 0 525.537 7.234 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)S1)c1ccccc1 ZINC000409125930 1072456080 /nfs/dbraw/zinc/45/60/80/1072456080.db2.gz AHYBTNDRDGEPLA-JMIUGGIZSA-N 0 0 641.168 7.498 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409341447 1072457208 /nfs/dbraw/zinc/45/72/08/1072457208.db2.gz AWEJCNXRCGDLHJ-BRJLIKDPSA-N 0 0 527.627 5.723 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409341489 1072458082 /nfs/dbraw/zinc/45/80/82/1072458082.db2.gz BHJPSLLZQBCITD-NKVSQWTQSA-N 0 0 601.411 8.127 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409341327 1072459044 /nfs/dbraw/zinc/45/90/44/1072459044.db2.gz BGDLBNKGUBWJBH-LZYBPNLTSA-N 0 0 610.720 6.520 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)cc1Cl ZINC000409341335 1072459168 /nfs/dbraw/zinc/45/91/68/1072459168.db2.gz BDUVMUUOWPPUEG-MSXFZWOLSA-N 0 0 509.027 6.897 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409341400 1072459884 /nfs/dbraw/zinc/45/98/84/1072459884.db2.gz BKBBHKMUGWOYDR-WGARJPEWSA-N 0 0 552.504 8.140 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409341235 1072461000 /nfs/dbraw/zinc/46/10/00/1072461000.db2.gz ALDZTAFMJOXCCP-LPYMAVHISA-N 0 0 521.576 5.027 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409341217 1072461024 /nfs/dbraw/zinc/46/10/24/1072461024.db2.gz AAOJJKHJNCKHCZ-ROTLSHHCSA-N 0 0 543.676 7.978 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)c1 ZINC000409340555 1072464769 /nfs/dbraw/zinc/46/47/69/1072464769.db2.gz ZFGKYWQTDTUQKD-CIAFOILYSA-N 0 0 701.414 7.603 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409340535 1072464774 /nfs/dbraw/zinc/46/47/74/1072464774.db2.gz YTJXBEWDHQZOIO-WSDLNYQXSA-N 0 0 545.469 6.127 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NCc1cccs1 ZINC000409124455 1072465350 /nfs/dbraw/zinc/46/53/50/1072465350.db2.gz AIFWTNUDHLDVIF-UCQKPKSFSA-N 0 0 509.722 5.801 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409124404 1072467059 /nfs/dbraw/zinc/46/70/59/1072467059.db2.gz HHNZECSXTXSNSG-QQXSKIMKSA-N 0 0 551.064 6.624 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OC)SC2=S)cc1 ZINC000409340258 1072467332 /nfs/dbraw/zinc/46/73/32/1072467332.db2.gz SYAKZDUTEHGRIP-CXUHLZMHSA-N 0 0 623.275 5.709 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409340257 1072467365 /nfs/dbraw/zinc/46/73/65/1072467365.db2.gz SXKQCGPFHYXOIK-UCQKPKSFSA-N 0 0 637.948 7.337 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000409340351 1072467816 /nfs/dbraw/zinc/46/78/16/1072467816.db2.gz VRQXSMLJQJNNBS-UNOMPAQXSA-N 0 0 552.468 5.204 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409340141 1072468539 /nfs/dbraw/zinc/46/85/39/1072468539.db2.gz RBCFIONFTDGYMV-LPYMAVHISA-N 0 0 522.564 5.767 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OC)SC2=S)cc1Cl ZINC000409340376 1072468640 /nfs/dbraw/zinc/46/86/40/1072468640.db2.gz VYIAPIPVSGKVBX-GIDUJCDVSA-N 0 0 643.693 5.972 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409340157 1072469085 /nfs/dbraw/zinc/46/90/85/1072469085.db2.gz RJCRHAHUXFIKIW-VROXFSQNSA-N 0 0 530.542 7.876 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 ZINC000409339956 1072469690 /nfs/dbraw/zinc/46/96/90/1072469690.db2.gz NMBUHNDJIRDDGD-YBFXNURJSA-N 0 0 505.404 5.808 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OC ZINC000409340024 1072470136 /nfs/dbraw/zinc/47/01/36/1072470136.db2.gz OXRUASBUIROCTN-YBEGLDIGSA-N 0 0 515.369 5.243 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339819 1072471286 /nfs/dbraw/zinc/47/12/86/1072471286.db2.gz YZDXPTXWPGIBJI-UCQKPKSFSA-N 0 0 527.023 6.632 40 10 KKCBRN Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409137189 1072472974 /nfs/dbraw/zinc/47/29/74/1072472974.db2.gz ULKHDRFASGPJJE-RRAHZORUSA-N 0 0 512.700 6.863 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409339747 1072473500 /nfs/dbraw/zinc/47/35/00/1072473500.db2.gz XQVPJBNDMYIKLM-UCQKPKSFSA-N 0 0 585.501 5.890 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409339516 1072474199 /nfs/dbraw/zinc/47/41/99/1072474199.db2.gz JKDCVGCMFVUPSH-QFEZKATASA-N 0 0 597.556 6.806 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409339601 1072474667 /nfs/dbraw/zinc/47/46/67/1072474667.db2.gz WULHYGQDOKZNLH-IWIPYMOSSA-N 0 0 556.503 6.841 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409339591 1072474670 /nfs/dbraw/zinc/47/46/70/1072474670.db2.gz WPUOAAJNWOSCLL-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)cc2OC)cc1 ZINC000409339626 1072474732 /nfs/dbraw/zinc/47/47/32/1072474732.db2.gz XHJXPMVWXKPZPS-XYGWBWBKSA-N 0 0 534.659 5.690 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409339508 1072476336 /nfs/dbraw/zinc/47/63/36/1072476336.db2.gz JHOMGGCDXAWJLK-YVLHZVERSA-N 0 0 502.377 6.663 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409339473 1072476360 /nfs/dbraw/zinc/47/63/60/1072476360.db2.gz IQUPTIHNNORDOP-HZHRSRAPSA-N 0 0 511.068 6.399 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409136687 1072477374 /nfs/dbraw/zinc/47/73/74/1072477374.db2.gz YKWOUQSOXSCDOH-NLIBPXKJSA-N 0 0 531.472 5.971 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1C ZINC000409339080 1072478112 /nfs/dbraw/zinc/47/81/12/1072478112.db2.gz DVCHINXZSWSVEV-YDZHTSKRSA-N 0 0 544.923 7.704 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409339102 1072478210 /nfs/dbraw/zinc/47/82/10/1072478210.db2.gz DYLVLSAKCNZBAB-LPYMAVHISA-N 0 0 619.946 6.245 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1cccc(C)c1 ZINC000409338951 1072479127 /nfs/dbraw/zinc/47/91/27/1072479127.db2.gz QZZUZOISTXGBID-MTDXEUNCSA-N 0 0 511.668 7.532 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409338949 1072479173 /nfs/dbraw/zinc/47/91/73/1072479173.db2.gz CKNOYSQQRBKDKZ-FSJBWODESA-N 0 0 594.383 7.807 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338968 1072479792 /nfs/dbraw/zinc/47/97/92/1072479792.db2.gz REQDHQVDQAHDSJ-SSDVNMTOSA-N 0 0 721.263 8.744 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409339049 1072480314 /nfs/dbraw/zinc/48/03/14/1072480314.db2.gz RHDKQJDJYJXYKW-QFEZKATASA-N 0 0 544.525 7.994 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)c(C)c1 ZINC000409339063 1072480761 /nfs/dbraw/zinc/48/07/61/1072480761.db2.gz RLJVYAGAIAPOFD-UUYOSTAYSA-N 0 0 683.374 7.497 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1 ZINC000409338792 1072480790 /nfs/dbraw/zinc/48/07/90/1072480790.db2.gz BCFONQIBIZFDLA-LPYMAVHISA-N 0 0 698.389 6.947 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409338891 1072481821 /nfs/dbraw/zinc/48/18/21/1072481821.db2.gz QGAPWVNJMUIKGB-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338898 1072481847 /nfs/dbraw/zinc/48/18/47/1072481847.db2.gz QKLQQWAOPYUURQ-HMAPJEAMSA-N 0 0 577.522 6.869 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409338921 1072481959 /nfs/dbraw/zinc/48/19/59/1072481959.db2.gz CBOVIRAYUGLFNY-MZJWZYIUSA-N 0 0 527.623 6.562 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338669 1072482517 /nfs/dbraw/zinc/48/25/17/1072482517.db2.gz OBFDSBPMMIOZPV-VCHYOVAHSA-N 0 0 511.249 7.422 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409338725 1072483033 /nfs/dbraw/zinc/48/30/33/1072483033.db2.gz OZLPMKJHZOXVEC-NTFVMDSBSA-N 0 0 633.589 7.651 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1 ZINC000409338748 1072483061 /nfs/dbraw/zinc/48/30/61/1072483061.db2.gz ADCAARBXIVEPRK-OEAKJJBVSA-N 0 0 574.493 6.980 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409338519 1072483637 /nfs/dbraw/zinc/48/36/37/1072483637.db2.gz LHBPEZMVKZQOFC-ZMOGYAJESA-N 0 0 546.497 7.386 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(C)C ZINC000409338580 1072484134 /nfs/dbraw/zinc/48/41/34/1072484134.db2.gz MMKAZBSBXPCMSN-JMIUGGIZSA-N 0 0 526.905 6.942 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409338577 1072484146 /nfs/dbraw/zinc/48/41/46/1072484146.db2.gz MKXFBQIIAHZUBW-JAIQZWGSSA-N 0 0 524.492 5.609 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409338362 1072484780 /nfs/dbraw/zinc/48/47/80/1072484780.db2.gz ILOMUFHRTQZGOA-AFUMVMLFSA-N 0 0 641.569 6.627 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409338311 1072487717 /nfs/dbraw/zinc/48/77/17/1072487717.db2.gz HPTHOYWAFLOGNN-VCHYOVAHSA-N 0 0 547.323 7.349 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409338288 1072487776 /nfs/dbraw/zinc/48/77/76/1072487776.db2.gz HIQMEVUFJJZUIL-BUVRLJJBSA-N 0 0 520.632 5.123 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409338155 1072488822 /nfs/dbraw/zinc/48/88/22/1072488822.db2.gz DZQSZZNPBJDSEY-YZSQISJMSA-N 0 0 563.701 5.583 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409337980 1072489871 /nfs/dbraw/zinc/48/98/71/1072489871.db2.gz ARDUAVCQTAYVKX-XYGWBWBKSA-N 0 0 521.585 7.843 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409337986 1072489938 /nfs/dbraw/zinc/48/99/38/1072489938.db2.gz ATQBPNMWZSHZQH-WOJGMQOQSA-N 0 0 522.442 5.114 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409337976 1072489968 /nfs/dbraw/zinc/48/99/68/1072489968.db2.gz APKQGMLCEIAGCZ-LSHDLFTRSA-N 0 0 590.466 6.334 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000409337721 1072492830 /nfs/dbraw/zinc/49/28/30/1072492830.db2.gz ZBVCMFRHLYSSLT-CLCZQPDDSA-N 0 0 535.647 5.716 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409337708 1072492885 /nfs/dbraw/zinc/49/28/85/1072492885.db2.gz YSQWVBQLZDEGPA-UUYOSTAYSA-N 0 0 541.538 6.239 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409134124 1072493960 /nfs/dbraw/zinc/49/39/60/1072493960.db2.gz MUTLGOXVUQOWAQ-YUMHPJSZSA-N 0 0 544.633 5.912 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccccc4Cl)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409133654 1072496707 /nfs/dbraw/zinc/49/67/07/1072496707.db2.gz MUSXNJFYXWRSOK-DICXZTSXSA-N 0 0 628.013 7.936 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000409133782 1072497741 /nfs/dbraw/zinc/49/77/41/1072497741.db2.gz RVGLLNAPWFVBKL-XYGWBWBKSA-N 0 0 504.633 6.113 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409133428 1072499395 /nfs/dbraw/zinc/49/93/95/1072499395.db2.gz LRZJMOOZSPTGBG-MSXFZWOLSA-N 0 0 584.948 6.933 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409133328 1072500190 /nfs/dbraw/zinc/50/01/90/1072500190.db2.gz SHJSQRPOHZMOND-OYKKKHCWSA-N 0 0 518.708 5.259 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409132943 1072501638 /nfs/dbraw/zinc/50/16/38/1072501638.db2.gz YPUCOKBCHNZZHU-IMRQLAEWSA-N 0 0 545.502 7.679 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409132875 1072502460 /nfs/dbraw/zinc/50/24/60/1072502460.db2.gz RVIWGTLDHRFPIO-TWKHWXDSSA-N 0 0 601.566 8.105 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409132723 1072503467 /nfs/dbraw/zinc/50/34/67/1072503467.db2.gz RAPBZPKPFIXUNF-WGARJPEWSA-N 0 0 551.108 7.455 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409131449 1072510053 /nfs/dbraw/zinc/51/00/53/1072510053.db2.gz IMHQXNFLXAYHLA-YTLMXASBSA-N 0 0 543.508 5.863 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409131237 1072510599 /nfs/dbraw/zinc/51/05/99/1072510599.db2.gz MNWXXUWJTKJYPK-MTJSOVHGSA-N 0 0 535.916 6.747 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409130611 1072513904 /nfs/dbraw/zinc/51/39/04/1072513904.db2.gz WTTYHZPCQABYNI-OGLMXYFKSA-N 0 0 518.654 7.429 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409129465 1072519641 /nfs/dbraw/zinc/51/96/41/1072519641.db2.gz GTJGKLRTSSDWHH-MITZEZRWSA-N 0 0 565.917 6.625 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccc(Br)cc23)SC1=S ZINC000409129520 1072520088 /nfs/dbraw/zinc/52/00/88/1072520088.db2.gz GJFJYZIVYPBAOS-ZBKNUEDVSA-N 0 0 548.553 5.639 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)SC1=S ZINC000409128944 1072523345 /nfs/dbraw/zinc/52/33/45/1072523345.db2.gz SXDHKZQTKQETDA-NHDPSOOVSA-N 0 0 534.545 5.664 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409353002 1072524409 /nfs/dbraw/zinc/52/44/09/1072524409.db2.gz ZUSVXBXTYAAQKC-WNFQYIGGSA-N 0 0 620.204 9.048 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409352940 1072525497 /nfs/dbraw/zinc/52/54/97/1072525497.db2.gz ZQIIBYIJMLBMIR-FSJBWODESA-N 0 0 505.571 5.964 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409352900 1072525686 /nfs/dbraw/zinc/52/56/86/1072525686.db2.gz ZGUIRTWVYIYTJG-MHWRWJLKSA-N 0 0 529.275 6.025 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409352627 1072527890 /nfs/dbraw/zinc/52/78/90/1072527890.db2.gz XLIHMUKDSGMMRI-NVMNQCDNSA-N 0 0 501.243 7.966 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409352625 1072527905 /nfs/dbraw/zinc/52/79/05/1072527905.db2.gz XKJHHRNNFFVAKB-FOKLQQMPSA-N 0 0 651.931 7.057 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1O[C@@H](C)CC ZINC000409352119 1072529414 /nfs/dbraw/zinc/52/94/14/1072529414.db2.gz WHVTYJFFMUZAIW-HSWQHBDASA-N 0 0 526.905 7.084 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409352112 1072529541 /nfs/dbraw/zinc/52/95/41/1072529541.db2.gz WEOQDTDDJARFPC-QQXSKIMKSA-N 0 0 610.982 8.639 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OC ZINC000409352200 1072530504 /nfs/dbraw/zinc/53/05/04/1072530504.db2.gz WPPIRWKFPTXAOB-GZTJUZNOSA-N 0 0 527.405 5.113 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409352029 1072531454 /nfs/dbraw/zinc/53/14/54/1072531454.db2.gz VSFHHCDFIANOTJ-KSEXSDGBSA-N 0 0 540.016 6.617 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409144609 1072532988 /nfs/dbraw/zinc/53/29/88/1072532988.db2.gz LYSBGLCRMNSFQP-UCQKPKSFSA-N 0 0 573.523 6.826 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000409144666 1072533370 /nfs/dbraw/zinc/53/33/70/1072533370.db2.gz ZLBLXECEHPIENC-MXAYSNPKSA-N 0 0 561.729 5.461 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409351224 1072536718 /nfs/dbraw/zinc/53/67/18/1072536718.db2.gz ZOFRXJLKAZIDJM-UUYOSTAYSA-N 0 0 523.548 6.018 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409351257 1072537067 /nfs/dbraw/zinc/53/70/67/1072537067.db2.gz SQVNXAHQRZMYRV-UDWIEESQSA-N 0 0 502.448 5.947 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409351050 1072537688 /nfs/dbraw/zinc/53/76/88/1072537688.db2.gz XFQJLKQADAYYGP-KOEQRZSOSA-N 0 0 518.660 5.646 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409143984 1072538139 /nfs/dbraw/zinc/53/81/39/1072538139.db2.gz NSKULPWQUWPJHI-WWAUWJAYSA-N 0 0 547.746 6.015 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409351132 1072538676 /nfs/dbraw/zinc/53/86/76/1072538676.db2.gz ZNDXZRBHAIVQTQ-OYKKKHCWSA-N 0 0 645.825 9.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409351175 1072539008 /nfs/dbraw/zinc/53/90/08/1072539008.db2.gz ZXTKXVLJNXXRER-FMCGGJTJSA-N 0 0 550.916 8.030 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409143647 1072540002 /nfs/dbraw/zinc/54/00/02/1072540002.db2.gz GQQYMDBAHOTYDU-WYMPLXKRSA-N 0 0 522.667 5.854 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409350811 1072540320 /nfs/dbraw/zinc/54/03/20/1072540320.db2.gz ZFGIRXALSRWSDP-SRZZPIQSSA-N 0 0 595.418 7.883 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000409350803 1072540422 /nfs/dbraw/zinc/54/04/22/1072540422.db2.gz ZDHNAPAPLGGUHU-JMIUGGIZSA-N 0 0 520.485 6.951 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC ZINC000409350786 1072540431 /nfs/dbraw/zinc/54/04/31/1072540431.db2.gz SFEMZWLZAVWASX-ZDLGFXPLSA-N 0 0 638.774 7.300 40 10 KKCBRN O=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409350615 1072541199 /nfs/dbraw/zinc/54/11/99/1072541199.db2.gz YRBHQAJJGPWCES-CJLVFECKSA-N 0 0 512.450 6.313 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409350564 1072542695 /nfs/dbraw/zinc/54/26/95/1072542695.db2.gz YAMCEHHBONZKMX-UCQKPKSFSA-N 0 0 570.490 6.408 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1Cl ZINC000409350364 1072543625 /nfs/dbraw/zinc/54/36/25/1072543625.db2.gz XQZASXMFIMEKMI-YSMPRRRNSA-N 0 0 518.059 7.487 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409350452 1072544033 /nfs/dbraw/zinc/54/40/33/1072544033.db2.gz RPNXGIPVMPESCA-QFEZKATASA-N 0 0 543.541 7.824 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1 ZINC000409350248 1072544940 /nfs/dbraw/zinc/54/49/40/1072544940.db2.gz XEBJDLLRCYHHCJ-ZVHZXABRSA-N 0 0 626.554 5.638 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1Cl ZINC000409142739 1072545254 /nfs/dbraw/zinc/54/52/54/1072545254.db2.gz BPJAXOOHIFVTCH-LGJNPRDNSA-N 0 0 583.175 6.767 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409350080 1072545465 /nfs/dbraw/zinc/54/54/65/1072545465.db2.gz XBJCCQJEAHEGJX-MSXFZWOLSA-N 0 0 617.974 7.151 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409350101 1072545838 /nfs/dbraw/zinc/54/58/38/1072545838.db2.gz XFIGTEHNJVHAQN-HMAPJEAMSA-N 0 0 522.519 7.505 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142791 1072545978 /nfs/dbraw/zinc/54/59/78/1072545978.db2.gz BZWHUPMNELWBCX-QFIPXVFZSA-N 0 0 585.347 7.446 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409349930 1072546175 /nfs/dbraw/zinc/54/61/75/1072546175.db2.gz WNCQLFKHJWQSLD-XKZIYDEJSA-N 0 0 544.467 6.972 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409142849 1072546266 /nfs/dbraw/zinc/54/62/66/1072546266.db2.gz CTWYHIUOKWMQAY-SRZZPIQSSA-N 0 0 593.992 6.914 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349851 1072547519 /nfs/dbraw/zinc/54/75/19/1072547519.db2.gz WLNMCJVSEVOFMW-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)c(C)c1 ZINC000409349687 1072548468 /nfs/dbraw/zinc/54/84/68/1072548468.db2.gz VVGCEMMDTVSUST-YDZHTSKRSA-N 0 0 528.468 7.190 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409142398 1072548759 /nfs/dbraw/zinc/54/87/59/1072548759.db2.gz CWQKHGNKBJHCCP-WYMPLXKRSA-N 0 0 569.148 6.376 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1 ZINC000409349486 1072549316 /nfs/dbraw/zinc/54/93/16/1072549316.db2.gz QKZZDAYEWWVPFY-MYYYXRDXSA-N 0 0 515.616 6.402 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409349257 1072551521 /nfs/dbraw/zinc/55/15/21/1072551521.db2.gz VEHVMDCLHJUURI-VULFUBBASA-N 0 0 611.583 7.115 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409141610 1072552542 /nfs/dbraw/zinc/55/25/42/1072552542.db2.gz AMQFQDDDHCSCMY-ZVBGSRNCSA-N 0 0 588.505 6.066 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c(Cl)c1 ZINC000409141638 1072552656 /nfs/dbraw/zinc/55/26/56/1072552656.db2.gz BATOAGFNAGMHLI-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409141428 1072553144 /nfs/dbraw/zinc/55/31/44/1072553144.db2.gz JRFMCPHJDYBXLB-ZVBGSRNCSA-N 0 0 721.707 8.605 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409348730 1072554152 /nfs/dbraw/zinc/55/41/52/1072554152.db2.gz OYNKQTMPPGRCNS-LDADJPATSA-N 0 0 570.430 5.793 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409141213 1072554896 /nfs/dbraw/zinc/55/48/96/1072554896.db2.gz JBGZGJZOYRKIQR-WPWMEQJKSA-N 0 0 547.702 7.770 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409141176 1072554983 /nfs/dbraw/zinc/55/49/83/1072554983.db2.gz IXRHNHFRPWAOIC-VIZOYTHASA-N 0 0 576.719 5.728 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409348345 1072557355 /nfs/dbraw/zinc/55/73/55/1072557355.db2.gz SOMHVXUFBINRPU-UUYOSTAYSA-N 0 0 621.512 5.848 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409348353 1072557697 /nfs/dbraw/zinc/55/76/97/1072557697.db2.gz SHHRMBLBMHEFCV-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409140531 1072558117 /nfs/dbraw/zinc/55/81/17/1072558117.db2.gz IQQOMJAMSIIHIA-UDWIEESQSA-N 0 0 512.996 5.241 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409140412 1072559076 /nfs/dbraw/zinc/55/90/76/1072559076.db2.gz DLBDORUQLGWWCS-UCQKPKSFSA-N 0 0 507.681 5.457 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409348251 1072559175 /nfs/dbraw/zinc/55/91/75/1072559175.db2.gz SFURDYIYCJGXHD-BKUYFWCQSA-N 0 0 527.465 6.146 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409348004 1072559657 /nfs/dbraw/zinc/55/96/57/1072559657.db2.gz PPVOYZYBIVQXJG-MXAYSNPKSA-N 0 0 605.097 5.517 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409347899 1072560504 /nfs/dbraw/zinc/56/05/04/1072560504.db2.gz NMFFKQVFJSDOIN-YSMPRRRNSA-N 0 0 576.700 6.173 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409347814 1072561804 /nfs/dbraw/zinc/56/18/04/1072561804.db2.gz NKRUUAJOCVEYCA-FYJGNVAPSA-N 0 0 561.320 7.196 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409347564 1072562314 /nfs/dbraw/zinc/56/23/14/1072562314.db2.gz MQRAXXCUTSESFC-HMAPJEAMSA-N 0 0 573.477 6.593 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409347587 1072562385 /nfs/dbraw/zinc/56/23/85/1072562385.db2.gz MSXZNYNJGQDKER-OEAKJJBVSA-N 0 0 637.948 7.337 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409139682 1072563271 /nfs/dbraw/zinc/56/32/71/1072563271.db2.gz CWOUUUXOAHPSMN-ZJVWCJDDSA-N 0 0 526.684 5.373 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409347430 1072563451 /nfs/dbraw/zinc/56/34/51/1072563451.db2.gz MDUSIZFBMQQYQN-FYJGNVAPSA-N 0 0 546.895 7.096 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409139711 1072563877 /nfs/dbraw/zinc/56/38/77/1072563877.db2.gz DOBVKATYFQTTDI-SSDVNMTOSA-N 0 0 601.018 5.812 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000409347453 1072563839 /nfs/dbraw/zinc/56/38/39/1072563839.db2.gz PXRNGGQMADCATQ-KSEXSDGBSA-N 0 0 513.446 7.541 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409347494 1072563895 /nfs/dbraw/zinc/56/38/95/1072563895.db2.gz QAUKZMVFPRIHMU-FMCGGJTJSA-N 0 0 530.498 7.604 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409347531 1072564270 /nfs/dbraw/zinc/56/42/70/1072564270.db2.gz QEPKHGDYFUZUOJ-ZMOGYAJESA-N 0 0 573.523 7.124 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1 ZINC000409347339 1072564624 /nfs/dbraw/zinc/56/46/24/1072564624.db2.gz PQJXFZQFBSCYSG-QQXSKIMKSA-N 0 0 518.059 7.487 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 ZINC000409139009 1072567569 /nfs/dbraw/zinc/56/75/69/1072567569.db2.gz LDURFSMSBPPDEH-XHPQRKPJSA-N 0 0 502.636 6.330 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409357748 1072567970 /nfs/dbraw/zinc/56/79/70/1072567970.db2.gz JSOHMXMJFDBFOU-DICXZTSXSA-N 0 0 570.696 5.789 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409138529 1072569801 /nfs/dbraw/zinc/56/98/01/1072569801.db2.gz DERMIQWPQAUXSE-XYGWBWBKSA-N 0 0 555.563 7.264 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CCCc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409138581 1072569903 /nfs/dbraw/zinc/56/99/03/1072569903.db2.gz DYYRXBCXGSONIZ-OFWBYEQRSA-N 0 0 538.669 7.564 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 ZINC000409138053 1072572235 /nfs/dbraw/zinc/57/22/35/1072572235.db2.gz ZHHCERGAAMQLCA-JWRUUXOFSA-N 0 0 584.561 5.143 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409138017 1072573539 /nfs/dbraw/zinc/57/35/39/1072573539.db2.gz YFGZRZOWPYNALK-VLDJDNEVSA-N 0 0 511.713 5.033 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409137716 1072574747 /nfs/dbraw/zinc/57/47/47/1072574747.db2.gz YOTOCPUJWFCHST-OGLMXYFKSA-N 0 0 535.109 7.943 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409147243 1072576664 /nfs/dbraw/zinc/57/66/64/1072576664.db2.gz VLJOSZGXPKYPRD-MZJWZYIUSA-N 0 0 621.781 5.560 40 10 KKCBRN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409146953 1072577652 /nfs/dbraw/zinc/57/76/52/1072577652.db2.gz VTCJUBBOSBCCLC-LSHDLFTRSA-N 0 0 529.083 6.057 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OC ZINC000409146834 1072578808 /nfs/dbraw/zinc/57/88/08/1072578808.db2.gz UYQSOLBCOJPNPM-LICLKQGHSA-N 0 0 588.876 5.207 40 10 KKCBRN Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409365479 1072579322 /nfs/dbraw/zinc/57/93/22/1072579322.db2.gz ZQFPYCHMSQPCIS-QVIHXGFCSA-N 0 0 520.018 5.545 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409146760 1072579999 /nfs/dbraw/zinc/57/99/99/1072579999.db2.gz ULEPWVNVGLGHPZ-JOCHJYFZSA-N 0 0 540.896 7.337 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409365187 1072580812 /nfs/dbraw/zinc/58/08/12/1072580812.db2.gz XNOPGOMPXYAYAA-CIAFOILYSA-N 0 0 537.490 5.799 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409146407 1072581408 /nfs/dbraw/zinc/58/14/08/1072581408.db2.gz SQXWPJDPUTWAGP-WYMPLXKRSA-N 0 0 613.599 6.486 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409146368 1072581428 /nfs/dbraw/zinc/58/14/28/1072581428.db2.gz TXSSBYCQQJLYGR-DJKKODMXSA-N 0 0 598.528 5.147 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCCCC4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409146360 1072581545 /nfs/dbraw/zinc/58/15/45/1072581545.db2.gz SGJVAYHDMLWWLH-QFEZKATASA-N 0 0 598.588 6.216 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409146002 1072584716 /nfs/dbraw/zinc/58/47/16/1072584716.db2.gz PLFITNACGOJRCH-LPYMAVHISA-N 0 0 559.496 6.436 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145536 1072586376 /nfs/dbraw/zinc/58/63/76/1072586376.db2.gz RDFUUGUEMYBOEI-RPPGKUMJSA-N 0 0 562.160 6.792 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409145246 1072588706 /nfs/dbraw/zinc/58/87/06/1072588706.db2.gz NITAJAHNNKHCLD-OEAKJJBVSA-N 0 0 617.974 6.935 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157232 1072591551 /nfs/dbraw/zinc/59/15/51/1072591551.db2.gz ICWGOOOGHYUZHW-GOHWNWGWSA-N 0 0 555.856 7.733 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409360507 1072607798 /nfs/dbraw/zinc/60/77/98/1072607798.db2.gz AJJGXJWVMNWRDI-KLTBVTQRSA-N 0 0 555.708 6.880 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)N2 ZINC000409154170 1072607772 /nfs/dbraw/zinc/60/77/72/1072607772.db2.gz FYOSJWRVVQVCTJ-WYEJZRMESA-N 0 0 589.313 7.957 40 10 KKCBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409360310 1072608224 /nfs/dbraw/zinc/60/82/24/1072608224.db2.gz ZWFPLOOLCNLRFH-ZDFORSFOSA-N 0 0 596.544 7.395 40 10 KKCBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409360307 1072608302 /nfs/dbraw/zinc/60/83/02/1072608302.db2.gz ZWFPLOOLCNLRFH-GQROMEJPSA-N 0 0 596.544 7.395 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409360055 1072610385 /nfs/dbraw/zinc/61/03/85/1072610385.db2.gz ONHACNLTWXSXMS-KGENOOAVSA-N 0 0 503.045 5.146 40 10 KKCBRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409359915 1072611471 /nfs/dbraw/zinc/61/14/71/1072611471.db2.gz OENDOBKJCJHURQ-ZQHSETAFSA-N 0 0 507.019 6.677 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409359513 1072614069 /nfs/dbraw/zinc/61/40/69/1072614069.db2.gz OVJQIFYRTMICKD-MFINZOPQSA-N 0 0 527.654 6.244 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409153037 1072614733 /nfs/dbraw/zinc/61/47/33/1072614733.db2.gz KNUFDWDYVRYXRG-JOWJHRDDSA-N 0 0 633.719 9.842 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)SC1=S ZINC000409376749 1072627229 /nfs/dbraw/zinc/62/72/29/1072627229.db2.gz ASRFUXVFEIERHR-SXGWCWSVSA-N 0 0 641.721 6.349 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC1=S ZINC000409376570 1072629615 /nfs/dbraw/zinc/62/96/15/1072629615.db2.gz ZPEXZMCRHCSTPZ-SXGWCWSVSA-N 0 0 513.822 5.811 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409149883 1072631919 /nfs/dbraw/zinc/63/19/19/1072631919.db2.gz UFLGZAFOPLHMMH-WYMPLXKRSA-N 0 0 607.968 7.479 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409150003 1072632946 /nfs/dbraw/zinc/63/29/46/1072632946.db2.gz XYMYEFKWDCMNSE-MYYYXRDXSA-N 0 0 596.130 5.919 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409375073 1072633949 /nfs/dbraw/zinc/63/39/49/1072633949.db2.gz FFFVWPTZHPJCKH-OYKKKHCWSA-N 0 0 506.027 5.369 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149623 1072634482 /nfs/dbraw/zinc/63/44/82/1072634482.db2.gz LMALMSVPIVNKTI-UFFVCSGVSA-N 0 0 509.609 5.304 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409149692 1072635146 /nfs/dbraw/zinc/63/51/46/1072635146.db2.gz NNICBTSHVOMDCB-DHRITJCHSA-N 0 0 675.026 6.600 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1 ZINC000409149536 1072636131 /nfs/dbraw/zinc/63/61/31/1072636131.db2.gz JEATXCDJVJEPGW-SSDVNMTOSA-N 0 0 522.648 5.182 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409149232 1072638362 /nfs/dbraw/zinc/63/83/62/1072638362.db2.gz ZLQLUSVILORHNZ-AFPJDJCSSA-N 0 0 561.885 7.239 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409149060 1072638891 /nfs/dbraw/zinc/63/88/91/1072638891.db2.gz WPMZBAJKICISGD-CFRMEGHHSA-N 0 0 537.479 6.701 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409148731 1072640556 /nfs/dbraw/zinc/64/05/56/1072640556.db2.gz QYQHGNMHXVSBNG-PVFDWLMNSA-N 0 0 507.681 5.599 40 10 KKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409373720 1072641016 /nfs/dbraw/zinc/64/10/16/1072641016.db2.gz ZOSGABFIHGWRST-IUXPMGMMSA-N 0 0 561.310 6.481 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409148413 1072642195 /nfs/dbraw/zinc/64/21/95/1072642195.db2.gz ZAGSMBIMCYGQKM-DHRITJCHSA-N 0 0 675.026 6.600 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409373171 1072642923 /nfs/dbraw/zinc/64/29/23/1072642923.db2.gz RUQDDUPLYIIFSU-WSDLNYQXSA-N 0 0 544.485 6.819 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC ZINC000409147796 1072648095 /nfs/dbraw/zinc/64/80/95/1072648095.db2.gz ZGBBKAHVOUKGNE-UUYOSTAYSA-N 0 0 500.686 5.323 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147406 1072648924 /nfs/dbraw/zinc/64/89/24/1072648924.db2.gz XNMSWCIDCRVXQM-YSURURNPSA-N 0 0 573.567 7.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409371384 1072649140 /nfs/dbraw/zinc/64/91/40/1072649140.db2.gz IFLJARFJGWMHRG-YVNNLAQVSA-N 0 0 648.506 5.866 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409371600 1072649225 /nfs/dbraw/zinc/64/92/25/1072649225.db2.gz INCYLBABNDNOPZ-GRSHGNNSSA-N 0 0 592.442 6.035 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166124 1072650516 /nfs/dbraw/zinc/65/05/16/1072650516.db2.gz BOWWUAGKKHVIPJ-UZINWLIJSA-N 0 0 545.304 8.478 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409371189 1072651188 /nfs/dbraw/zinc/65/11/88/1072651188.db2.gz FYJGTXRPHJEJLL-ZMOGYAJESA-N 0 0 631.563 6.656 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409370865 1072652396 /nfs/dbraw/zinc/65/23/96/1072652396.db2.gz CGOKLGZARUTMKD-FSJBWODESA-N 0 0 574.511 6.827 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409370703 1072652845 /nfs/dbraw/zinc/65/28/45/1072652845.db2.gz COVSBEZDAFYJDL-ZDLGFXPLSA-N 0 0 512.440 5.729 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)SC1=S ZINC000409370006 1072656397 /nfs/dbraw/zinc/65/63/97/1072656397.db2.gz JFOJFOMFLSMJDD-NDENLUEZSA-N 0 0 657.336 6.849 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409369633 1072657402 /nfs/dbraw/zinc/65/74/02/1072657402.db2.gz DGGNEJXRWIUORW-QRQIAZFYSA-N 0 0 521.642 5.869 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)ccc1Cl ZINC000409164851 1072657463 /nfs/dbraw/zinc/65/74/63/1072657463.db2.gz OQZUETYUIHEOQF-OEAKJJBVSA-N 0 0 542.057 5.490 40 10 KKCBRN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409369032 1072660353 /nfs/dbraw/zinc/66/03/53/1072660353.db2.gz YIXUXORPVZLCFG-LZYBPNLTSA-N 0 0 502.832 5.983 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409368920 1072661437 /nfs/dbraw/zinc/66/14/37/1072661437.db2.gz SHIMRPIDTRNNPB-ZDLGFXPLSA-N 0 0 652.363 6.723 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000409368880 1072661532 /nfs/dbraw/zinc/66/15/32/1072661532.db2.gz RAVRXTQRSDEPEI-RQZCQDPDSA-N 0 0 638.336 6.333 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409163803 1072662605 /nfs/dbraw/zinc/66/26/05/1072662605.db2.gz YAIQANPPVALWMQ-WKULSOCRSA-N 0 0 724.192 6.354 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409368842 1072663053 /nfs/dbraw/zinc/66/30/53/1072663053.db2.gz PGUFWARDDKHJNB-VXLYETTFSA-N 0 0 582.874 6.631 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409368800 1072663094 /nfs/dbraw/zinc/66/30/94/1072663094.db2.gz NNPMGQGRXPDYGF-AFUMVMLFSA-N 0 0 601.581 7.357 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409368059 1072667194 /nfs/dbraw/zinc/66/71/94/1072667194.db2.gz MIAMMIISAMYMLW-CFRMEGHHSA-N 0 0 588.538 7.217 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000409367842 1072667677 /nfs/dbraw/zinc/66/76/77/1072667677.db2.gz MIGKEPQDRUYQMU-VCHYOVAHSA-N 0 0 535.390 6.100 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000409367950 1072668248 /nfs/dbraw/zinc/66/82/48/1072668248.db2.gz PGOBAIZPWWKOEO-VCHYOVAHSA-N 0 0 535.390 6.100 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409367750 1072668848 /nfs/dbraw/zinc/66/88/48/1072668848.db2.gz KKAVRGIWLUZFDX-ZBKNUEDVSA-N 0 0 586.353 7.646 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409379339 1072671405 /nfs/dbraw/zinc/67/14/05/1072671405.db2.gz WHXZYTQJKBJBGK-GRSHGNNSSA-N 0 0 512.878 6.301 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409162067 1072673193 /nfs/dbraw/zinc/67/31/93/1072673193.db2.gz QYISFSXKQLSYSZ-ZMFRSBBQSA-N 0 0 566.720 6.252 40 10 KKCBRN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(Br)cc1 ZINC000409378579 1072675219 /nfs/dbraw/zinc/67/52/19/1072675219.db2.gz QILPLBZRYOOUHZ-WCSRMQSCSA-N 0 0 513.221 6.268 40 10 KKCBRN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)o1 ZINC000409160689 1072680878 /nfs/dbraw/zinc/68/08/78/1072680878.db2.gz HZVLOIIQMXTTSD-RGVLZGJSSA-N 0 0 519.431 6.117 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)ccc1Cl ZINC000409160560 1072681973 /nfs/dbraw/zinc/68/19/73/1072681973.db2.gz RKGYTUHXPWBMDL-RMORIDSASA-N 0 0 606.915 6.906 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409160265 1072684083 /nfs/dbraw/zinc/68/40/83/1072684083.db2.gz FLIBOJJUHXCVQF-UFFVCSGVSA-N 0 0 543.508 6.158 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160211 1072685100 /nfs/dbraw/zinc/68/51/00/1072685100.db2.gz WIBMZCBUQABUAS-GGUMNFRJSA-N 0 0 575.728 8.279 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409158892 1072692467 /nfs/dbraw/zinc/69/24/67/1072692467.db2.gz LXZRJYXEWSUYAB-IMWIBFENSA-N 0 0 541.829 7.425 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409158684 1072692825 /nfs/dbraw/zinc/69/28/25/1072692825.db2.gz SBINPLWWMWCPLK-OREGWCPLSA-N 0 0 568.895 7.612 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 ZINC000409385466 1072693390 /nfs/dbraw/zinc/69/33/90/1072693390.db2.gz KQNKHUKOTFVERS-BUVRLJJBSA-N 0 0 507.612 5.556 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409158334 1072694132 /nfs/dbraw/zinc/69/41/32/1072694132.db2.gz OIXMOAHQVFLIIE-CIAFOILYSA-N 0 0 501.833 6.747 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409158322 1072695474 /nfs/dbraw/zinc/69/54/74/1072695474.db2.gz OHPAJXDLOZIZGU-XHNVNVPESA-N 0 0 571.855 7.433 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)SC1=S ZINC000409384710 1072697447 /nfs/dbraw/zinc/69/74/47/1072697447.db2.gz DXTMJXSJDJOIPB-JCMHNJIXSA-N 0 0 521.733 6.508 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409157578 1072699229 /nfs/dbraw/zinc/69/92/29/1072699229.db2.gz MXCGAPCVBNOTPE-UNVFRBQDSA-N 0 0 590.301 8.387 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409383663 1072701445 /nfs/dbraw/zinc/70/14/45/1072701445.db2.gz ZGCBBDZPZNMMIN-JAIQZWGSSA-N 0 0 536.879 5.559 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)N2 ZINC000409166921 1072702319 /nfs/dbraw/zinc/70/23/19/1072702319.db2.gz HAEMCJWVVRSMKF-GAKIBJFNSA-N 0 0 589.313 7.957 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000409383425 1072702852 /nfs/dbraw/zinc/70/28/52/1072702852.db2.gz XUUNLKKMTCYXEE-YVLHZVERSA-N 0 0 509.403 5.166 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409166600 1072703712 /nfs/dbraw/zinc/70/37/12/1072703712.db2.gz FLINIEJIASEWGC-HHJKRLRDSA-N 0 0 537.410 6.780 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409383126 1072704706 /nfs/dbraw/zinc/70/47/06/1072704706.db2.gz ZMQUNSXFICAOBC-MSXFZWOLSA-N 0 0 568.468 5.617 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409176981 1072709372 /nfs/dbraw/zinc/70/93/72/1072709372.db2.gz CYAONDIKKUMVKU-WSDLNYQXSA-N 0 0 625.912 7.467 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409176997 1072709822 /nfs/dbraw/zinc/70/98/22/1072709822.db2.gz AFHFIMZAJUBBRN-FYJGNVAPSA-N 0 0 573.465 5.722 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000409176598 1072710310 /nfs/dbraw/zinc/71/03/10/1072710310.db2.gz SGMQBIHBRFFHEB-RQZCQDPDSA-N 0 0 563.841 6.287 40 10 KKCBRN O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409381529 1072711753 /nfs/dbraw/zinc/71/17/53/1072711753.db2.gz HRJVQQPDHVQFFY-CRKCGEKBSA-N 0 0 503.215 6.812 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409380866 1072714986 /nfs/dbraw/zinc/71/49/86/1072714986.db2.gz JIEFTLAULHJVCE-JAIQZWGSSA-N 0 0 535.485 5.395 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409174761 1072720495 /nfs/dbraw/zinc/72/04/95/1072720495.db2.gz USHKICGFIRKZQW-BHGWPJFGSA-N 0 0 635.964 7.290 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409174450 1072722200 /nfs/dbraw/zinc/72/22/00/1072722200.db2.gz UDTZLWRTNJGYAI-KEBDBYFISA-N 0 0 505.199 6.261 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409173566 1072726825 /nfs/dbraw/zinc/72/68/25/1072726825.db2.gz JWHZGZNILDYYTC-GLDPYIMESA-N 0 0 559.273 7.765 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409388900 1072735202 /nfs/dbraw/zinc/73/52/02/1072735202.db2.gz XUYIDTAFRUEZLI-IMRQLAEWSA-N 0 0 529.662 5.722 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409171911 1072736300 /nfs/dbraw/zinc/73/63/00/1072736300.db2.gz DHDUYZNSRTXWKZ-AWQFTUOYSA-N 0 0 554.930 7.604 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409170647 1072744217 /nfs/dbraw/zinc/74/42/17/1072744217.db2.gz WBYODJMUYOUHBS-SWYRRKHMSA-N 0 0 555.856 7.733 40 10 KKCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)ccc1Cl ZINC000409169564 1072749779 /nfs/dbraw/zinc/74/97/79/1072749779.db2.gz QAMUVHRYNTXVGH-YVNNLAQVSA-N 0 0 591.995 6.228 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Br)cc3Br)C2=O)o1 ZINC000409399152 1072750246 /nfs/dbraw/zinc/75/02/46/1072750246.db2.gz IBKZSUDTRJGUDY-FBHDLOMBSA-N 0 0 633.293 5.329 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409169012 1072751579 /nfs/dbraw/zinc/75/15/79/1072751579.db2.gz OTTJWFSPPSAYDF-GQIGMWPISA-N 0 0 607.375 9.837 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186254 1072762798 /nfs/dbraw/zinc/76/27/98/1072762798.db2.gz ZMQYPGQHHZXBRZ-YCYBFXTKSA-N 0 0 709.699 8.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186087 1072763183 /nfs/dbraw/zinc/76/31/83/1072763183.db2.gz WLHRHDYCPMFGAD-PHBIEMHDSA-N 0 0 762.726 8.430 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409186290 1072763199 /nfs/dbraw/zinc/76/31/99/1072763199.db2.gz ZZXWDBXNCDXYEX-OGLMXYFKSA-N 0 0 686.013 7.817 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186078 1072763216 /nfs/dbraw/zinc/76/32/16/1072763216.db2.gz WGJIZPGCCOSXJW-LYVUSLOXSA-N 0 0 793.727 8.572 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(I)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186098 1072763654 /nfs/dbraw/zinc/76/36/54/1072763654.db2.gz WOMCDMJQFWTJHF-BTVRMGTGSA-N 0 0 779.700 8.263 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186138 1072764084 /nfs/dbraw/zinc/76/40/84/1072764084.db2.gz XKNWDTIKFKAFBW-VJFJOSMZSA-N 0 0 777.697 8.330 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186131 1072764120 /nfs/dbraw/zinc/76/41/20/1072764120.db2.gz XERBSYRFEAZSBH-XLPPTMTCSA-N 0 0 547.680 6.080 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186200 1072765089 /nfs/dbraw/zinc/76/50/89/1072765089.db2.gz YREWNDOTSHLVOF-NRNSZXCESA-N 0 0 776.709 8.150 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186202 1072765102 /nfs/dbraw/zinc/76/51/02/1072765102.db2.gz YSILEWWIEFJKPU-BXLDMZNVSA-N 0 0 766.747 9.364 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185923 1072765123 /nfs/dbraw/zinc/76/51/23/1072765123.db2.gz SQNZDPLONWIRCW-YDNXKDDVSA-N 0 0 693.244 8.280 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185963 1072765382 /nfs/dbraw/zinc/76/53/82/1072765382.db2.gz TYUJMKUVVBGMIJ-HERAQCDRSA-N 0 0 590.749 6.146 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185637 1072768011 /nfs/dbraw/zinc/76/80/11/1072768011.db2.gz NSABOFAPEQKFGI-BCECABNSSA-N 0 0 719.705 8.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185903 1072768078 /nfs/dbraw/zinc/76/80/78/1072768078.db2.gz SIMXWDLPAXEDBO-GOMLGGMMSA-N 0 0 725.314 9.045 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3cccc4ccccc43)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185660 1072768555 /nfs/dbraw/zinc/76/85/55/1072768555.db2.gz OGOHKKUFXGINRA-ZGMIACJESA-N 0 0 826.813 9.973 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185497 1072769802 /nfs/dbraw/zinc/76/98/02/1072769802.db2.gz MAVDWNQSLOBBDG-LVNAQTPMSA-N 0 0 670.629 7.241 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185530 1072769865 /nfs/dbraw/zinc/76/98/65/1072769865.db2.gz MDEWRMPPKIANCI-OBWDPHAXSA-N 0 0 767.691 8.874 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185587 1072770160 /nfs/dbraw/zinc/77/01/60/1072770160.db2.gz MXSGTYIXQNXKCK-CQQDAPSRSA-N 0 0 711.884 8.366 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185598 1072770276 /nfs/dbraw/zinc/77/02/76/1072770276.db2.gz NCQNWGDRDJBSJK-AAFCKNGSSA-N 0 0 759.759 9.698 40 10 KKCBRN COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000409403580 1072770670 /nfs/dbraw/zinc/77/06/70/1072770670.db2.gz ACENCVOHTHDAMX-IWIPYMOSSA-N 0 0 529.390 5.651 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185476 1072771578 /nfs/dbraw/zinc/77/15/78/1072771578.db2.gz LTQRDNHUXKRKFK-RYVZMJGZSA-N 0 0 801.590 9.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185212 1072771654 /nfs/dbraw/zinc/77/16/54/1072771654.db2.gz KHDUWMWDWBVOAR-ISMPAJQOSA-N 0 0 767.145 9.075 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/C=C/c2ccco2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185253 1072772010 /nfs/dbraw/zinc/77/20/10/1072772010.db2.gz KNDIQQUVNWEXPJ-XSPGSMJZSA-N 0 0 563.679 6.229 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184912 1072773111 /nfs/dbraw/zinc/77/31/11/1072773111.db2.gz IMJWQKJOZRWFAV-BRBBWVIMSA-N 0 0 656.204 7.141 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184970 1072773581 /nfs/dbraw/zinc/77/35/81/1072773581.db2.gz IWTGFVHMIZTKGS-WQZRLSSLSA-N 0 0 859.786 9.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2ccc(-c3cccc(C(C)=O)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184998 1072774000 /nfs/dbraw/zinc/77/40/00/1072774000.db2.gz JBYXABCSDXBISR-JVGFEPCXSA-N 0 0 655.776 7.542 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184832 1072774545 /nfs/dbraw/zinc/77/45/45/1072774545.db2.gz ICGLCCYOOLRDTM-YKBWLXFDSA-N 0 0 662.211 8.302 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184634 1072775290 /nfs/dbraw/zinc/77/52/90/1072775290.db2.gz HQBHXELFHFDKQR-KTDYBYQDSA-N 0 0 692.635 8.102 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184626 1072775423 /nfs/dbraw/zinc/77/54/23/1072775423.db2.gz HPCNTJSSFAYODL-WQZRLSSLSA-N 0 0 812.786 9.583 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4cccc5ccccc54)c4ccccc34)C2=O)o1 ZINC000409402557 1072776326 /nfs/dbraw/zinc/77/63/26/1072776326.db2.gz WRCKFIUPTTURQK-QQXSKIMKSA-N 0 0 519.557 5.624 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184029 1072778485 /nfs/dbraw/zinc/77/84/85/1072778485.db2.gz DVJHWFIWBXFHCS-DGWBYFALSA-N 0 0 811.198 9.473 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183599 1072781644 /nfs/dbraw/zinc/78/16/44/1072781644.db2.gz CEWIVQRBIBQTSO-VYTBNXPHSA-N 0 0 742.854 7.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183608 1072781808 /nfs/dbraw/zinc/78/18/08/1072781808.db2.gz CJTHTUVTGKRIAO-URVOSIMGSA-N 0 0 781.378 9.720 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183663 1072782328 /nfs/dbraw/zinc/78/23/28/1072782328.db2.gz CWOUQICVSMGRPE-WLNVPOHISA-N 0 0 591.689 5.809 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183362 1072784054 /nfs/dbraw/zinc/78/40/54/1072784054.db2.gz BLWOZRMVAAMCFY-WMGYHRCKSA-N 0 0 974.486 10.175 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183217 1072785329 /nfs/dbraw/zinc/78/53/29/1072785329.db2.gz QPFHRCDRYZXKGW-IOSUBWPCSA-N 0 0 781.172 9.383 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182571 1072788901 /nfs/dbraw/zinc/78/89/01/1072788901.db2.gz MVTQFHSZEJSCPX-IDRDTGJUSA-N 0 0 823.753 8.580 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182564 1072789025 /nfs/dbraw/zinc/78/90/25/1072789025.db2.gz MSAJDEWCQFGVDJ-RQBSVBTHSA-N 0 0 776.709 8.150 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409182630 1072789258 /nfs/dbraw/zinc/78/92/58/1072789258.db2.gz NWGLGAYBWDSTED-OPVMPGTRSA-N 0 0 566.035 6.207 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182202 1072792403 /nfs/dbraw/zinc/79/24/03/1072792403.db2.gz JFXDEXIZUCSOIE-DGWBYFALSA-N 0 0 902.649 9.425 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409182087 1072792982 /nfs/dbraw/zinc/79/29/82/1072792982.db2.gz IPJGHORXIZCXJK-SSDVNMTOSA-N 0 0 530.986 6.381 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182010 1072793860 /nfs/dbraw/zinc/79/38/60/1072793860.db2.gz HJSSJABOLACBAP-DGWBYFALSA-N 0 0 811.198 9.473 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181898 1072794246 /nfs/dbraw/zinc/79/42/46/1072794246.db2.gz GMZWCERHNHWPTP-HMULSRIRSA-N 0 0 722.694 8.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181784 1072795543 /nfs/dbraw/zinc/79/55/43/1072795543.db2.gz DVPJSMOLHLXVPE-HGTXDYBSSA-N 0 0 752.720 8.974 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181451 1072797448 /nfs/dbraw/zinc/79/74/48/1072797448.db2.gz AOSTXBKJHCJWAC-MWXJPDCTSA-N 0 0 675.254 8.141 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409181483 1072797522 /nfs/dbraw/zinc/79/75/22/1072797522.db2.gz BNMYCSWYBSBDOD-SRZZPIQSSA-N 0 0 520.434 7.126 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409181493 1072797875 /nfs/dbraw/zinc/79/78/75/1072797875.db2.gz BTIKHCBQJJNOTB-MIXAMLLLSA-N 0 0 671.093 7.220 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181501 1072797931 /nfs/dbraw/zinc/79/79/31/1072797931.db2.gz CDXWETQFQSMFEE-DKDMBQFYSA-N 0 0 781.172 9.383 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181518 1072797946 /nfs/dbraw/zinc/79/79/46/1072797946.db2.gz CKXDWBMBSHHGLF-KRJBTMGSSA-N 0 0 876.586 9.165 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409181388 1072799385 /nfs/dbraw/zinc/79/93/85/1072799385.db2.gz BYNZOWDNWOXRCT-KGENOOAVSA-N 0 0 511.024 5.474 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409180977 1072800174 /nfs/dbraw/zinc/80/01/74/1072800174.db2.gz XBXNDIOBTGPALY-ZVBGSRNCSA-N 0 0 554.879 7.779 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409180121 1072805943 /nfs/dbraw/zinc/80/59/43/1072805943.db2.gz UIBQKMQBUUAOLP-AFPJDJCSSA-N 0 0 548.879 7.038 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409179834 1072807433 /nfs/dbraw/zinc/80/74/33/1072807433.db2.gz NVASYWYHQHAXLQ-NDENLUEZSA-N 0 0 501.555 5.659 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S)c1ccccc1 ZINC000409179240 1072810912 /nfs/dbraw/zinc/81/09/12/1072810912.db2.gz QQHFCEZIEOFCDG-BKUYFWCQSA-N 0 0 543.439 5.713 40 10 KKCBRN O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000409408146 1072816968 /nfs/dbraw/zinc/81/69/68/1072816968.db2.gz IWWOWBYITLPAQY-DFMPKFEDSA-N 0 0 602.666 5.945 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178174 1072819322 /nfs/dbraw/zinc/81/93/22/1072819322.db2.gz JNBRERQDSMRMKF-KSEXSDGBSA-N 0 0 513.446 7.541 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409177566 1072822764 /nfs/dbraw/zinc/82/27/64/1072822764.db2.gz CBPOYGMOTBKCIS-HZHRSRAPSA-N 0 0 535.603 5.119 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409196990 1072828391 /nfs/dbraw/zinc/82/83/91/1072828391.db2.gz ZDOFTHUACAGEDE-UUYOSTAYSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409196960 1072828423 /nfs/dbraw/zinc/82/84/23/1072828423.db2.gz TYMYTJQABWQXKI-UDWIEESQSA-N 0 0 530.469 5.387 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1 ZINC000409196763 1072829366 /nfs/dbraw/zinc/82/93/66/1072829366.db2.gz XNFUBDXHWCKXSE-QRQIAZFYSA-N 0 0 549.677 6.398 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOC)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409195920 1072834592 /nfs/dbraw/zinc/83/45/92/1072834592.db2.gz SOJRYFWVZOWCML-WSDLNYQXSA-N 0 0 509.455 6.101 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000409194398 1072843095 /nfs/dbraw/zinc/84/30/95/1072843095.db2.gz BHKUBNHSWVOUMU-LZYBPNLTSA-N 0 0 543.258 5.169 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409193896 1072847640 /nfs/dbraw/zinc/84/76/40/1072847640.db2.gz HFOHAZRJKODSHM-RGVLZGJSSA-N 0 0 513.984 6.240 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\c5ccccc5N(c5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409193125 1072851207 /nfs/dbraw/zinc/85/12/07/1072851207.db2.gz CJLCCIARIPTRCU-WEMUVCOSSA-N 0 0 512.609 8.114 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(Br)c1 ZINC000409193122 1072851221 /nfs/dbraw/zinc/85/12/21/1072851221.db2.gz CEDWDNWRGUWJJM-AWQFTUOYSA-N 0 0 660.287 8.337 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409206299 1072893356 /nfs/dbraw/zinc/89/33/56/1072893356.db2.gz TXPQYGFVOKZRSF-AFUMVMLFSA-N 0 0 524.448 6.512 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409206330 1072893423 /nfs/dbraw/zinc/89/34/23/1072893423.db2.gz UOYUVODPISJWSR-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409205900 1072895823 /nfs/dbraw/zinc/89/58/23/1072895823.db2.gz QOLHZNLNPROWMS-FSJBWODESA-N 0 0 603.947 6.925 40 10 KKCBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409205759 1072897186 /nfs/dbraw/zinc/89/71/86/1072897186.db2.gz TUFKWWJKCYOKKB-YBFXNURJSA-N 0 0 520.836 5.378 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205056 1072900147 /nfs/dbraw/zinc/90/01/47/1072900147.db2.gz NTZLFDOSHJWSJC-KEBDBYFISA-N 0 0 588.417 6.472 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409204991 1072901514 /nfs/dbraw/zinc/90/15/14/1072901514.db2.gz FASPZGSSLDCYFH-XKZIYDEJSA-N 0 0 555.475 5.881 40 10 KKCBRN O=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409203166 1072910482 /nfs/dbraw/zinc/91/04/82/1072910482.db2.gz WPTUVYMPQOFRBD-PXLXIMEGSA-N 0 0 512.450 6.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409202452 1072912852 /nfs/dbraw/zinc/91/28/52/1072912852.db2.gz SJOHTXVWCIDCFR-WSDLNYQXSA-N 0 0 563.579 6.760 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409202048 1072915077 /nfs/dbraw/zinc/91/50/77/1072915077.db2.gz YOMXZXJSBCXFJI-WSDLNYQXSA-N 0 0 591.467 6.732 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409202118 1072915582 /nfs/dbraw/zinc/91/55/82/1072915582.db2.gz ZTRNEDYMEDGNOH-FMCGGJTJSA-N 0 0 550.459 6.766 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409199176 1072926953 /nfs/dbraw/zinc/92/69/53/1072926953.db2.gz HJJUPKBDGXUMQQ-SSDVNMTOSA-N 0 0 659.398 7.531 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000409198818 1072927362 /nfs/dbraw/zinc/92/73/62/1072927362.db2.gz LHMLUSHWHZJTIW-LPYMAVHISA-N 0 0 533.587 5.105 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1 ZINC000409198510 1072929129 /nfs/dbraw/zinc/92/91/29/1072929129.db2.gz GWWLVAVXWOHUGQ-JLPGSUDCSA-N 0 0 532.643 5.595 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409198152 1072932413 /nfs/dbraw/zinc/93/24/13/1072932413.db2.gz YLVJMRVUJCKEGQ-KSEXSDGBSA-N 0 0 617.486 6.322 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409197776 1072933241 /nfs/dbraw/zinc/93/32/41/1072933241.db2.gz ORTJCGUEKSOFBM-LSHDLFTRSA-N 0 0 668.816 7.297 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197766 1072933274 /nfs/dbraw/zinc/93/32/74/1072933274.db2.gz OJNIQMKFNJEGLU-WSDLNYQXSA-N 0 0 618.474 6.501 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409197382 1072936103 /nfs/dbraw/zinc/93/61/03/1072936103.db2.gz DGBRXZCKJMGULW-RGVLZGJSSA-N 0 0 503.874 6.916 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409207707 1072940931 /nfs/dbraw/zinc/94/09/31/1072940931.db2.gz XUXMDTNGBAMPJK-SRZZPIQSSA-N 0 0 519.475 6.537 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409209767 1072967261 /nfs/dbraw/zinc/96/72/61/1072967261.db2.gz HWNBQDCVEASBSW-ZMOGYAJESA-N 0 0 551.405 5.975 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409226866 1072972543 /nfs/dbraw/zinc/97/25/43/1072972543.db2.gz WHBBDHJDULHJSV-RPPGKUMJSA-N 0 0 656.092 5.926 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224530 1072982918 /nfs/dbraw/zinc/98/29/18/1072982918.db2.gz KURVQQSVHXSLEF-UHFFFAOYSA-N 0 0 654.517 6.757 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409222813 1072991296 /nfs/dbraw/zinc/99/12/96/1072991296.db2.gz XPGCFVWYVQKBTD-SDPDQUOZSA-N 0 0 553.105 6.637 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409222488 1072993237 /nfs/dbraw/zinc/99/32/37/1072993237.db2.gz XHWVMNGXSXUYTP-NHDPSOOVSA-N 0 0 575.403 5.513 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4cc(Cl)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409222268 1072995060 /nfs/dbraw/zinc/99/50/60/1072995060.db2.gz WLOQQMONJIHQRC-FMCGGJTJSA-N 0 0 589.522 6.742 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409221225 1073000790 /nfs/dbraw/zinc/00/07/90/1073000790.db2.gz MXAYNHUXEUQRTP-XKZIYDEJSA-N 0 0 575.495 6.434 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219800 1073006816 /nfs/dbraw/zinc/00/68/16/1073006816.db2.gz UXRNOJIJGBCUAB-UHFFFAOYSA-N 0 0 674.935 7.102 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409219456 1073008148 /nfs/dbraw/zinc/00/81/48/1073008148.db2.gz QRTZONJQTQQMGP-YVNNLAQVSA-N 0 0 564.288 7.083 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409230044 1073016233 /nfs/dbraw/zinc/01/62/33/1073016233.db2.gz WPIQKUMBQANMFX-XYGWBWBKSA-N 0 0 550.658 5.526 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409229759 1073018005 /nfs/dbraw/zinc/01/80/05/1073018005.db2.gz URNMWDVLPJCGLI-SAHIIKMKSA-N 0 0 553.105 6.719 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)SC1=S ZINC000409229338 1073021209 /nfs/dbraw/zinc/02/12/09/1073021209.db2.gz NNNXSYIDVCTANR-MFOYZWKCSA-N 0 0 588.876 5.192 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)cc2OCC)cc1 ZINC000409229147 1073022123 /nfs/dbraw/zinc/02/21/23/1073022123.db2.gz KKEDRWQNUIIQAR-IMRQLAEWSA-N 0 0 562.713 6.470 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000409229123 1073023710 /nfs/dbraw/zinc/02/37/10/1073023710.db2.gz KBXFQIWUHSQJHN-UCQKPKSFSA-N 0 0 573.067 6.310 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409228878 1073024323 /nfs/dbraw/zinc/02/43/23/1073024323.db2.gz GMSFFUDHDQZAAY-QFEZKATASA-N 0 0 587.550 7.378 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409228871 1073024418 /nfs/dbraw/zinc/02/44/18/1073024418.db2.gz GIWIWYOLQYBWII-OGLMXYFKSA-N 0 0 512.009 6.419 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409228722 1073025261 /nfs/dbraw/zinc/02/52/61/1073025261.db2.gz DBEJNVOXAXFNGY-GATIEOLUSA-N 0 0 587.550 7.432 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)SC1=S ZINC000409228742 1073025318 /nfs/dbraw/zinc/02/53/18/1073025318.db2.gz DLRJOFBQLQMPJF-NDENLUEZSA-N 0 0 563.539 6.012 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409228751 1073025360 /nfs/dbraw/zinc/02/53/60/1073025360.db2.gz DOOVEVIEHFLTOT-HMAPJEAMSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409228593 1073025787 /nfs/dbraw/zinc/02/57/87/1073025787.db2.gz ZRWKUZLGYKPOAG-HAHDFKILSA-N 0 0 554.093 5.838 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C2=O)cc1 ZINC000409228490 1073027216 /nfs/dbraw/zinc/02/72/16/1073027216.db2.gz ZDPHWLDZGISLLU-STBIYBPSSA-N 0 0 585.657 6.496 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)SC1=S ZINC000409228392 1073028158 /nfs/dbraw/zinc/02/81/58/1073028158.db2.gz YHSMWQZTYFCQCN-MOSHPQCFSA-N 0 0 563.539 6.093 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409228120 1073028213 /nfs/dbraw/zinc/02/82/13/1073028213.db2.gz UIEQITZBKCZPPE-UUYOSTAYSA-N 0 0 579.021 6.791 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409237096 1073033959 /nfs/dbraw/zinc/03/39/59/1073033959.db2.gz IXOFZDGFOWQQIY-OYKKKHCWSA-N 0 0 571.095 6.918 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409236497 1073038413 /nfs/dbraw/zinc/03/84/13/1073038413.db2.gz SIYQPSCHLTWRSV-NYAPKIOYSA-N 0 0 573.479 6.141 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 ZINC000409236237 1073040088 /nfs/dbraw/zinc/04/00/88/1073040088.db2.gz FGXFDHZFVFAXTL-WGOQTCKBSA-N 0 0 511.603 5.931 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409236105 1073040854 /nfs/dbraw/zinc/04/08/54/1073040854.db2.gz RAYNCKQKWYXEQH-UXHLAJHPSA-N 0 0 627.539 6.529 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409235518 1073044089 /nfs/dbraw/zinc/04/40/89/1073044089.db2.gz BTDPIZLELHVTJR-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1 ZINC000409235343 1073045098 /nfs/dbraw/zinc/04/50/98/1073045098.db2.gz BKGKWMGMFGPLNB-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409235083 1073046855 /nfs/dbraw/zinc/04/68/55/1073046855.db2.gz YNWSHGXDURYBGL-VTNSRFBWSA-N 0 0 576.741 6.656 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409234742 1073047817 /nfs/dbraw/zinc/04/78/17/1073047817.db2.gz XXSFDKKRHMHXQP-UCQKPKSFSA-N 0 0 588.538 6.491 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1 ZINC000409234669 1073049766 /nfs/dbraw/zinc/04/97/66/1073049766.db2.gz OUXGOICGEURGBH-HAHDFKILSA-N 0 0 558.603 6.527 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409234493 1073050330 /nfs/dbraw/zinc/05/03/30/1073050330.db2.gz LAUZZBIMETVZCH-HAHDFKILSA-N 0 0 558.603 6.527 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409234166 1073051470 /nfs/dbraw/zinc/05/14/70/1073051470.db2.gz MVHFCKSNLXBDNY-YSMPRRRNSA-N 0 0 567.132 7.033 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409233268 1073056390 /nfs/dbraw/zinc/05/63/90/1073056390.db2.gz FBRVWRAYENNVLX-HZRSJKMUSA-N 0 0 583.529 6.438 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409233248 1073056492 /nfs/dbraw/zinc/05/64/92/1073056492.db2.gz DXGVNBAYTXCADL-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1 ZINC000409233139 1073057504 /nfs/dbraw/zinc/05/75/04/1073057504.db2.gz QWKBDUOLZAHIMK-HMAPJEAMSA-N 0 0 559.496 6.815 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409232460 1073061298 /nfs/dbraw/zinc/06/12/98/1073061298.db2.gz IBGYDGCHIRMIDO-PCLIKHOPSA-N 0 0 537.085 6.269 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409232242 1073061722 /nfs/dbraw/zinc/06/17/22/1073061722.db2.gz PKLPQMKRHYVGGG-ZMFRSBBQSA-N 0 0 562.669 5.460 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409232182 1073063127 /nfs/dbraw/zinc/06/31/27/1073063127.db2.gz OMKRENPEFXFWPM-MFOYZWKCSA-N 0 0 588.876 5.110 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409231854 1073063718 /nfs/dbraw/zinc/06/37/18/1073063718.db2.gz MWQBYHNEVYRING-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)cc1 ZINC000409231550 1073064768 /nfs/dbraw/zinc/06/47/68/1073064768.db2.gz LCSJMPHZJPZPFU-OYKKKHCWSA-N 0 0 588.629 6.536 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409231271 1073066237 /nfs/dbraw/zinc/06/62/37/1073066237.db2.gz IXZTVIQPTBOFJP-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409231005 1073067651 /nfs/dbraw/zinc/06/76/51/1073067651.db2.gz HMZBZIDNLAMTLZ-MTJSOVHGSA-N 0 0 549.888 7.070 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000409230823 1073068024 /nfs/dbraw/zinc/06/80/24/1073068024.db2.gz GATQXIPTHTUEEQ-BRPDVVIDSA-N 0 0 566.704 7.465 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409247088 1073073059 /nfs/dbraw/zinc/07/30/59/1073073059.db2.gz BSOWFEWWBVMCHH-AWXAQXEGSA-N 0 0 560.741 6.990 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409246843 1073073174 /nfs/dbraw/zinc/07/31/74/1073073174.db2.gz FGHJEFRVZHYRQV-ZDLGFXPLSA-N 0 0 555.903 5.738 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409246250 1073077349 /nfs/dbraw/zinc/07/73/49/1073077349.db2.gz HABNMYRDJJTXNS-YSMPRRRNSA-N 0 0 581.159 7.396 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409245206 1073084737 /nfs/dbraw/zinc/08/47/37/1073084737.db2.gz OZYMZGBEKLDIAO-SRZZPIQSSA-N 0 0 501.833 6.747 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409244678 1073087151 /nfs/dbraw/zinc/08/71/51/1073087151.db2.gz HDTUZFLEEKORBY-KSEXSDGBSA-N 0 0 572.586 5.853 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409243993 1073090931 /nfs/dbraw/zinc/09/09/31/1073090931.db2.gz WAXOLSJXHCSYKH-MFOYZWKCSA-N 0 0 575.428 5.715 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409243560 1073092610 /nfs/dbraw/zinc/09/26/10/1073092610.db2.gz SMWDXSIKOCOBJK-UCQKPKSFSA-N 0 0 572.083 5.977 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409243230 1073093681 /nfs/dbraw/zinc/09/36/81/1073093681.db2.gz QTMGZPSUWAMRPQ-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409242858 1073095967 /nfs/dbraw/zinc/09/59/67/1073095967.db2.gz PJFWHFCUFQKNFX-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409241686 1073101262 /nfs/dbraw/zinc/10/12/62/1073101262.db2.gz LNXSXPMEHRLYAT-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409241490 1073101669 /nfs/dbraw/zinc/10/16/69/1073101669.db2.gz XXFLSBWZFHXJPD-NKVSQWTQSA-N 0 0 584.333 7.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409241460 1073101694 /nfs/dbraw/zinc/10/16/94/1073101694.db2.gz XQLCCJHNOMAZPS-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409241187 1073103068 /nfs/dbraw/zinc/10/30/68/1073103068.db2.gz JHILNCAETFMNPZ-MXAYSNPKSA-N 0 0 566.632 5.372 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)c(OC)c3)SC2=S)cc1 ZINC000409240967 1073103678 /nfs/dbraw/zinc/10/36/78/1073103678.db2.gz VWBAGAHHOKVLAM-UCQKPKSFSA-N 0 0 573.523 6.988 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409241237 1073103692 /nfs/dbraw/zinc/10/36/92/1073103692.db2.gz SGWFBVYOXHUUJK-QFEZKATASA-N 0 0 587.550 7.378 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409240677 1073105719 /nfs/dbraw/zinc/10/57/19/1073105719.db2.gz UVUCDQGWKWBKKJ-DUQUIBLKSA-N 0 0 552.596 5.112 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409239759 1073112914 /nfs/dbraw/zinc/11/29/14/1073112914.db2.gz QFANTAMYTSWELF-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409239359 1073113829 /nfs/dbraw/zinc/11/38/29/1073113829.db2.gz MHGXXCMGUSDPJB-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409239436 1073114495 /nfs/dbraw/zinc/11/44/95/1073114495.db2.gz MTCDKMMCLWZFKV-UNOMPAQXSA-N 0 0 569.930 6.130 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409239293 1073115505 /nfs/dbraw/zinc/11/55/05/1073115505.db2.gz CXZAUTOZVRDALY-JAIQZWGSSA-N 0 0 583.957 6.438 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409238036 1073123920 /nfs/dbraw/zinc/12/39/20/1073123920.db2.gz JYJALYPXPWRSFG-NHDPSOOVSA-N 0 0 579.914 7.079 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409237558 1073126412 /nfs/dbraw/zinc/12/64/12/1073126412.db2.gz XLGUPSNYGNLXCX-MTJSOVHGSA-N 0 0 510.959 5.331 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409237562 1073126520 /nfs/dbraw/zinc/12/65/20/1073126520.db2.gz VKWIPXPQQTVKLX-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409237341 1073126972 /nfs/dbraw/zinc/12/69/72/1073126972.db2.gz WBGCGQDGPUDEHJ-UCQKPKSFSA-N 0 0 576.593 6.667 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409237411 1073127655 /nfs/dbraw/zinc/12/76/55/1073127655.db2.gz IMDAWBMQEIWWQJ-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409251227 1073129377 /nfs/dbraw/zinc/12/93/77/1073129377.db2.gz UDYZALQAHWXAPS-IWIPYMOSSA-N 0 0 572.630 6.836 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409251060 1073130553 /nfs/dbraw/zinc/13/05/53/1073130553.db2.gz OBMDNGMUUSPBFY-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409251174 1073131831 /nfs/dbraw/zinc/13/18/31/1073131831.db2.gz TUTYXXQMOPHSSR-XYGWBWBKSA-N 0 0 569.104 6.561 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c1 ZINC000409250497 1073134851 /nfs/dbraw/zinc/13/48/51/1073134851.db2.gz MNQILBDYIASWNZ-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409250277 1073137012 /nfs/dbraw/zinc/13/70/12/1073137012.db2.gz WUAPPUWJHQQFGX-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409249983 1073139168 /nfs/dbraw/zinc/13/91/68/1073139168.db2.gz KQILWQAHCQEWDO-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409249449 1073141308 /nfs/dbraw/zinc/14/13/08/1073141308.db2.gz INDMMOODMWAUQY-QQXSKIMKSA-N 0 0 546.714 6.742 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000409249489 1073141736 /nfs/dbraw/zinc/14/17/36/1073141736.db2.gz JJRSSLUZGMQVHF-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1 ZINC000409249369 1073142700 /nfs/dbraw/zinc/14/27/00/1073142700.db2.gz HNACGXLZZSVDLY-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)cc1 ZINC000409249022 1073144310 /nfs/dbraw/zinc/14/43/10/1073144310.db2.gz IWVFIMMMEADPNA-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409248942 1073145872 /nfs/dbraw/zinc/14/58/72/1073145872.db2.gz MBDNDIWPZTWCIM-UFFVCSGVSA-N 0 0 534.852 6.729 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1 ZINC000409248910 1073145888 /nfs/dbraw/zinc/14/58/88/1073145888.db2.gz FYLCGXHPVHYMKY-QRVIBDJDSA-N 0 0 542.057 5.968 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)SC2=S)cc1Cl ZINC000409248736 1073146240 /nfs/dbraw/zinc/14/62/40/1073146240.db2.gz FRZRZYMMNHRGRJ-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409248455 1073147864 /nfs/dbraw/zinc/14/78/64/1073147864.db2.gz KKKHXXVBNYJPIR-MSXFZWOLSA-N 0 0 569.060 5.496 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409248120 1073149672 /nfs/dbraw/zinc/14/96/72/1073149672.db2.gz GDQFOZKTRKNHNT-JJFYIABZSA-N 0 0 577.486 6.873 40 10 KKCBRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409248127 1073149682 /nfs/dbraw/zinc/14/96/82/1073149682.db2.gz GEHIPVRIXZEIBJ-BUVRLJJBSA-N 0 0 525.468 6.882 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000409248076 1073150942 /nfs/dbraw/zinc/15/09/42/1073150942.db2.gz BUXAFWIAMICVOE-IWIPYMOSSA-N 0 0 522.623 5.820 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409247579 1073153390 /nfs/dbraw/zinc/15/33/90/1073153390.db2.gz DKKKECXJFFUINK-YUMHPJSZSA-N 0 0 560.741 7.051 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409247661 1073153808 /nfs/dbraw/zinc/15/38/08/1073153808.db2.gz FJTIMEAFIKQFAB-MTJSOVHGSA-N 0 0 549.512 5.783 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1 ZINC000409255273 1073156181 /nfs/dbraw/zinc/15/61/81/1073156181.db2.gz ZPHUTZKZYUABDE-UUYOSTAYSA-N 0 0 529.014 5.911 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409257220 1073156975 /nfs/dbraw/zinc/15/69/75/1073156975.db2.gz RMOFWTRNGBBQNN-ONUIUJJFSA-N 0 0 532.687 5.773 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409257045 1073157751 /nfs/dbraw/zinc/15/77/51/1073157751.db2.gz RERWVAJLFPBQST-JFLMPSFJSA-N 0 0 633.683 5.142 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409256786 1073159768 /nfs/dbraw/zinc/15/97/68/1073159768.db2.gz NEFZQFWKBPDKMV-IWIPYMOSSA-N 0 0 522.623 5.325 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O ZINC000409256802 1073159839 /nfs/dbraw/zinc/15/98/39/1073159839.db2.gz NJSUMQPRBNQNOJ-BOPFTXTBSA-N 0 0 511.406 5.364 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409255942 1073164816 /nfs/dbraw/zinc/16/48/16/1073164816.db2.gz MMOHHDNKVDTGHW-XYLCRUHJSA-N 0 0 539.078 6.329 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)SC2=S)cc1 ZINC000409255530 1073167704 /nfs/dbraw/zinc/16/77/04/1073167704.db2.gz HSMWGYUQFYBCOJ-HAHDFKILSA-N 0 0 524.067 5.829 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409255510 1073167798 /nfs/dbraw/zinc/16/77/98/1073167798.db2.gz LISBDYOOUBLZPU-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409255133 1073168235 /nfs/dbraw/zinc/16/82/35/1073168235.db2.gz YCWWWUXDWHCLDA-MYYYXRDXSA-N 0 0 586.657 7.144 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 ZINC000409255078 1073169078 /nfs/dbraw/zinc/16/90/78/1073169078.db2.gz GEDOILLGAFNGKE-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409254657 1073171674 /nfs/dbraw/zinc/17/16/74/1073171674.db2.gz XYPLYXAXNCBLFW-UFAQQFSPSA-N 0 0 518.660 5.353 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1 ZINC000409253828 1073177527 /nfs/dbraw/zinc/17/75/27/1073177527.db2.gz CFRAEZNAKVDZRJ-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409253857 1073177656 /nfs/dbraw/zinc/17/76/56/1073177656.db2.gz YKUYKZNEJHESDG-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC ZINC000409253928 1073178050 /nfs/dbraw/zinc/17/80/50/1073178050.db2.gz GZPYOBIAUDXEGQ-ITYLOYPMSA-N 0 0 532.687 5.719 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409253286 1073182067 /nfs/dbraw/zinc/18/20/67/1073182067.db2.gz TWCRQUJIVGYWMZ-UUYOSTAYSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O ZINC000409253281 1073182094 /nfs/dbraw/zinc/18/20/94/1073182094.db2.gz WQFCNPOUTYHJHD-PXNMLYILSA-N 0 0 531.824 5.763 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409253089 1073182490 /nfs/dbraw/zinc/18/24/90/1073182490.db2.gz YQBYHVZPCHOTTK-APQFFPOMSA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409253193 1073183004 /nfs/dbraw/zinc/18/30/04/1073183004.db2.gz YZGIRBYJUSLAIZ-XYGWBWBKSA-N 0 0 552.649 6.046 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409253171 1073183044 /nfs/dbraw/zinc/18/30/44/1073183044.db2.gz WEJPLJVPSFLDSR-UQQQWYQISA-N 0 0 517.676 5.738 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409253062 1073183894 /nfs/dbraw/zinc/18/38/94/1073183894.db2.gz FZUCFEAMWDFIES-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S ZINC000409252476 1073187899 /nfs/dbraw/zinc/18/78/99/1073187899.db2.gz BZOOWYNRXLRMDR-PDGQHHTCSA-N 0 0 511.452 5.249 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000409252454 1073187915 /nfs/dbraw/zinc/18/79/15/1073187915.db2.gz BTKLONDGYDLDBZ-UCQKPKSFSA-N 0 0 541.050 5.781 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409252013 1073190456 /nfs/dbraw/zinc/19/04/56/1073190456.db2.gz RGDFRSVKGGTZLU-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)cc3)SC2=S)cc1 ZINC000409262546 1073193901 /nfs/dbraw/zinc/19/39/01/1073193901.db2.gz FTWYIRSBFVUKOM-JLPGSUDCSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409265200 1073193929 /nfs/dbraw/zinc/19/39/29/1073193929.db2.gz SWHHFLFZFUGPJQ-UHFFFAOYSA-N 0 0 610.066 6.566 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409265270 1073194841 /nfs/dbraw/zinc/19/48/41/1073194841.db2.gz RRBSOMGBFYSBPH-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN Cc1ccccc1NC(=O)COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409267267 1073196147 /nfs/dbraw/zinc/19/61/47/1073196147.db2.gz UIBNFRCSQTZACW-UHFFFAOYSA-N 0 0 600.458 6.903 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000409267194 1073197133 /nfs/dbraw/zinc/19/71/33/1073197133.db2.gz TXIBUDBOMIWRDN-YNJLWJOVSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2OC)c1 ZINC000409266597 1073201134 /nfs/dbraw/zinc/20/11/34/1073201134.db2.gz QHNIHMMRDQXGPS-QRVIBDJDSA-N 0 0 541.050 5.781 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1OC ZINC000035039305 1073203604 /nfs/dbraw/zinc/20/36/04/1073203604.db2.gz DQFQWXAPTMEWSS-YZSQISJMSA-N 0 0 505.661 6.035 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409266054 1073204803 /nfs/dbraw/zinc/20/48/03/1073204803.db2.gz VZIQMEHLNJDNGQ-MYYYXRDXSA-N 0 0 534.659 5.826 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)SC2=S)cc1 ZINC000409265621 1073206773 /nfs/dbraw/zinc/20/67/73/1073206773.db2.gz UFLLYHBWYIQRHJ-XYGWBWBKSA-N 0 0 534.659 5.690 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)c(C)c1 ZINC000409265057 1073207906 /nfs/dbraw/zinc/20/79/06/1073207906.db2.gz NNKVCNJRYSFOGU-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1OC ZINC000035039444 1073208289 /nfs/dbraw/zinc/20/82/89/1073208289.db2.gz OKQNVPMVUMXRSO-YZSQISJMSA-N 0 0 505.661 6.035 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409264503 1073211745 /nfs/dbraw/zinc/21/17/45/1073211745.db2.gz KPCCLIBQFFLVPQ-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)c(C)c1 ZINC000409264560 1073212013 /nfs/dbraw/zinc/21/20/13/1073212013.db2.gz KYBAQIMFFQJYCA-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409264068 1073213926 /nfs/dbraw/zinc/21/39/26/1073213926.db2.gz KMYZDELHWQPDCT-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000409263769 1073215839 /nfs/dbraw/zinc/21/58/39/1073215839.db2.gz OELOBWTWZZCTQB-STZFKDTASA-N 0 0 519.088 5.930 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409263648 1073216685 /nfs/dbraw/zinc/21/66/85/1073216685.db2.gz LWJRJSHARLDSFF-FMCGGJTJSA-N 0 0 543.066 6.059 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000409263675 1073217021 /nfs/dbraw/zinc/21/70/21/1073217021.db2.gz MBZWKAVHHLWEKE-CXTZRUPXSA-N 0 0 518.660 6.065 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(CC)cc4)c3)SC2=S)cc1 ZINC000409263467 1073217464 /nfs/dbraw/zinc/21/74/64/1073217464.db2.gz MUSCWWZZUQHPHK-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263388 1073218145 /nfs/dbraw/zinc/21/81/45/1073218145.db2.gz JABOXGBKABIURY-ZWXNIRCYSA-N 0 0 532.687 6.292 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409263426 1073218519 /nfs/dbraw/zinc/21/85/19/1073218519.db2.gz KVANNJXQAPCDPT-FDRCZSESSA-N 0 0 548.686 6.074 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409263169 1073218849 /nfs/dbraw/zinc/21/88/49/1073218849.db2.gz ATUXLDXBZIZJSO-OKCVXOCRSA-N 0 0 634.585 8.247 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409263237 1073219168 /nfs/dbraw/zinc/21/91/68/1073219168.db2.gz BHMKFSPCZYBZCX-UHFFFAOYSA-N 0 0 701.517 6.599 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409263102 1073219670 /nfs/dbraw/zinc/21/96/70/1073219670.db2.gz GYCAOGKBTGFZEB-UNOMPAQXSA-N 0 0 541.478 5.257 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409262691 1073221472 /nfs/dbraw/zinc/22/14/72/1073221472.db2.gz JOEBJEBPSIPVMM-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409262048 1073223685 /nfs/dbraw/zinc/22/36/85/1073223685.db2.gz DJNJAKCNJXIXLY-JAIQZWGSSA-N 0 0 524.586 5.731 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409261848 1073224514 /nfs/dbraw/zinc/22/45/14/1073224514.db2.gz DNZSZICOASNPBP-NAGKPISUSA-N 0 0 523.463 5.391 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409261916 1073224913 /nfs/dbraw/zinc/22/49/13/1073224913.db2.gz FXMHQIKFKNQMDW-WYRWUVFZSA-N 0 0 532.687 6.292 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1 ZINC000409261673 1073226542 /nfs/dbraw/zinc/22/65/42/1073226542.db2.gz CQKTWUNUMPQPCD-FMCGGJTJSA-N 0 0 539.034 5.488 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)cc1 ZINC000409261485 1073227318 /nfs/dbraw/zinc/22/73/18/1073227318.db2.gz CJMHXRUUELSVHM-DWGAWOTKSA-N 0 0 518.660 6.065 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S ZINC000409261155 1073228786 /nfs/dbraw/zinc/22/87/86/1073228786.db2.gz AQMSNDUWTTUWPK-UNOMPAQXSA-N 0 0 535.485 5.395 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409261037 1073229980 /nfs/dbraw/zinc/22/99/80/1073229980.db2.gz AGZXCPJFHZMIIG-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409261068 1073230461 /nfs/dbraw/zinc/23/04/61/1073230461.db2.gz AUPCPKCYOPDHCH-IMRQLAEWSA-N 0 0 546.714 6.164 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)SC1=S ZINC000409260885 1073231108 /nfs/dbraw/zinc/23/11/08/1073231108.db2.gz YBDIMWUHXGHZHU-MOSHPQCFSA-N 0 0 533.513 6.085 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409260322 1073234654 /nfs/dbraw/zinc/23/46/54/1073234654.db2.gz OPWVHRXJOCSXSV-FBHDLOMBSA-N 0 0 515.443 6.417 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409260192 1073235845 /nfs/dbraw/zinc/23/58/45/1073235845.db2.gz MHUQVYSVSLDJPJ-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1Cl ZINC000409259590 1073238948 /nfs/dbraw/zinc/23/89/48/1073238948.db2.gz BDHYOEPQVRSCSS-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1 ZINC000409259296 1073240671 /nfs/dbraw/zinc/24/06/71/1073240671.db2.gz YCCJWTKUBNSKLZ-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(Br)c1O ZINC000409258922 1073242283 /nfs/dbraw/zinc/24/22/83/1073242283.db2.gz WMLGHQMBRXEOEL-STZFKDTASA-N 0 0 528.449 6.752 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)SC1=S ZINC000409258391 1073245891 /nfs/dbraw/zinc/24/58/91/1073245891.db2.gz WVQORFBWIQJDKV-MOSHPQCFSA-N 0 0 533.513 6.085 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409258389 1073245923 /nfs/dbraw/zinc/24/59/23/1073245923.db2.gz TUZTXLSCBOOEMK-UHFFFAOYSA-N 0 0 630.484 6.993 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409258320 1073247218 /nfs/dbraw/zinc/24/72/18/1073247218.db2.gz WHDRTIWHPVJQMJ-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)SC(=CC3=CC(=NNc4cccc(C(F)(F)F)c4)C=CC3=O)C2=O)cc1 ZINC000409258149 1073247919 /nfs/dbraw/zinc/24/79/19/1073247919.db2.gz UBHNYZGKKRWXKS-QLRARWCCSA-N 0 0 540.523 6.810 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409257942 1073248437 /nfs/dbraw/zinc/24/84/37/1073248437.db2.gz UZKZMSULBNJVAB-XYGWBWBKSA-N 0 0 534.659 5.690 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409257823 1073249567 /nfs/dbraw/zinc/24/95/67/1073249567.db2.gz QLEURXKGGBCPQP-IWIPYMOSSA-N 0 0 539.078 5.810 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000409257836 1073249615 /nfs/dbraw/zinc/24/96/15/1073249615.db2.gz VKRCOAXCXHRZJL-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409257673 1073250536 /nfs/dbraw/zinc/25/05/36/1073250536.db2.gz UDKBGRQWTPARDF-FMCGGJTJSA-N 0 0 539.034 5.488 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1Cl ZINC000409272580 1073254610 /nfs/dbraw/zinc/25/46/10/1073254610.db2.gz NGZGGFNIEZKSKG-AFPJDJCSSA-N 0 0 564.878 6.738 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409271159 1073266177 /nfs/dbraw/zinc/26/61/77/1073266177.db2.gz KEJDDAWUFMDBQQ-MOSHPQCFSA-N 0 0 539.050 5.133 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409269930 1073273231 /nfs/dbraw/zinc/27/32/31/1073273231.db2.gz BGEVRJWAFKIGDL-RIRGPFDCSA-N 0 0 546.714 6.682 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409269575 1073276802 /nfs/dbraw/zinc/27/68/02/1073276802.db2.gz KIHRPGZJLIUMEM-UHFFFAOYSA-N 0 0 610.066 6.566 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409269357 1073277422 /nfs/dbraw/zinc/27/74/22/1073277422.db2.gz HUVRVMKSEQAWNL-STZFKDTASA-N 0 0 535.087 5.302 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409268880 1073280956 /nfs/dbraw/zinc/28/09/56/1073280956.db2.gz ZACNUNZUAAHCPZ-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409268921 1073281307 /nfs/dbraw/zinc/28/13/07/1073281307.db2.gz ZRQLJSUBJXJBCB-FBHDLOMBSA-N 0 0 549.457 6.014 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 ZINC000409268820 1073282445 /nfs/dbraw/zinc/28/24/45/1073282445.db2.gz AXZBNDPAYLEHLH-FMCGGJTJSA-N 0 0 525.051 6.080 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409275097 1073302867 /nfs/dbraw/zinc/30/28/67/1073302867.db2.gz YIHQIWHBRLSNAQ-ROTLSHHCSA-N 0 0 561.918 8.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409273455 1073319185 /nfs/dbraw/zinc/31/91/85/1073319185.db2.gz YGBVJBZHIOPAJI-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(OCc2ccccc2)c1 ZINC000409273400 1073320265 /nfs/dbraw/zinc/32/02/65/1073320265.db2.gz QPCYXPUVLZSFCA-VULFUBBASA-N 0 0 551.615 6.065 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2OC)c1 ZINC000409272880 1073336497 /nfs/dbraw/zinc/33/64/97/1073336497.db2.gz TZFKZGOAZPCKRG-AOBKZXEFSA-N 0 0 534.659 5.684 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409272913 1073336516 /nfs/dbraw/zinc/33/65/16/1073336516.db2.gz UFHHKXHQAAFDSG-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN O=C(Nc1ccc(N=Nc2ccc([N+](=O)[N-]c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000100368337 193904508 /nfs/dbraw/zinc/90/45/08/193904508.db2.gz WEEJEQGCJULCFK-GRNCQUCOSA-N 0 0 540.583 8.532 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531987 193966558 /nfs/dbraw/zinc/96/65/58/193966558.db2.gz RHHUIHVAHPADTD-VEEOACQBSA-N 0 0 537.733 6.361 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225540013 193972438 /nfs/dbraw/zinc/97/24/38/193972438.db2.gz QLCYMVYNPDYGQJ-VMPREFPWSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000225548678 193978497 /nfs/dbraw/zinc/97/84/97/193978497.db2.gz SXHHBWKNTYOUQZ-ROJLCIKYSA-N 0 0 551.760 6.615 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)SC1=S ZINC000409382711 195515843 /nfs/dbraw/zinc/51/58/43/195515843.db2.gz PTHZDKWYEXOYPT-LSCVHKIXSA-N 0 0 533.296 6.565 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408851262 195490126 /nfs/dbraw/zinc/49/01/26/195490126.db2.gz ASDWZZYDKWBBJD-AJBULDERSA-N 0 0 665.595 6.893 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)Nc1cccc(O)c1 ZINC000000920533 551574321 /nfs/dbraw/zinc/57/43/21/551574321.db2.gz SWCTVKYSSFLQIB-UHFFFAOYSA-N 0 0 504.587 5.381 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000001213312 551625618 /nfs/dbraw/zinc/62/56/18/551625618.db2.gz QDROOGSYBLGICH-BHIFYINESA-N 0 0 550.792 5.106 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000002098970 551762031 /nfs/dbraw/zinc/76/20/31/551762031.db2.gz PUPFZYBRXNAWID-TUTZNEALSA-N 0 0 510.678 6.665 40 10 biogenic,in-vitro KKCBRN CCOc1ccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cc(Br)ccc2O)cc1 ZINC000002747444 552174524 /nfs/dbraw/zinc/17/45/24/552174524.db2.gz GWAXKEVENAWTDM-NRFANRHFSA-N 0 0 565.205 5.929 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000003772432 552417893 /nfs/dbraw/zinc/41/78/93/552417893.db2.gz KWHXAQLBUHIJRP-DDIUQFJASA-N 0 0 594.712 5.006 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000004017709 552428859 /nfs/dbraw/zinc/42/88/59/552428859.db2.gz HGADEBALAIOLJC-PQKDDFCWSA-N 0 0 548.927 7.060 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Oc5ccc(Cl)cc5)cc4)C(=O)[C@@H]32)cc1 ZINC000004131840 552442295 /nfs/dbraw/zinc/44/22/95/552442295.db2.gz ZIVSOIYCCBEZCJ-HZFUHODCSA-N 0 0 563.993 6.136 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000004131812 552442393 /nfs/dbraw/zinc/44/23/93/552442393.db2.gz LEAFKDDUVRBFCD-PVHODMMVSA-N 0 0 578.418 5.811 40 10 KKCBRN CC(=O)Oc1c2ccccc2c(/N=N/c2ccccc2)cc1-c1cc(/N=N/c2ccccc2)c2ccccc2c1OC(C)=O ZINC000004266391 552454907 /nfs/dbraw/zinc/45/49/07/552454907.db2.gz FCOUCGYTJRUNTH-HVMBLDELSA-N 0 0 578.628 10.341 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000004792198 552484974 /nfs/dbraw/zinc/48/49/74/552484974.db2.gz RHVYIYRXMHDUJX-LBYUQGKWSA-N 0 0 532.608 7.899 40 10 KKCBRN COc1ccc(N2CCCN(c3ccc(OC)cc3)C2c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004809436 552487540 /nfs/dbraw/zinc/48/75/40/552487540.db2.gz WMFYLFHSVRIZRP-UHFFFAOYSA-N 0 0 543.689 6.229 40 10 KKCBRN CN(C)c1ccc(Cc2ccc(N(C)C)c(C(O)(c3ccccc3)c3ccccc3)c2)cc1C(O)(c1ccccc1)c1ccccc1 ZINC000005392886 552500576 /nfs/dbraw/zinc/50/05/76/552500576.db2.gz NORCNQDPHUBMJD-UHFFFAOYSA-N 0 0 618.821 7.978 40 10 KKCBRN S=C(NCCCCCCNC(=S)Nc1c2ccccc2nc2ccccc21)Nc1c2ccccc2nc2ccccc21 ZINC000005615927 552505440 /nfs/dbraw/zinc/50/54/40/552505440.db2.gz AENUNLQZPTXCFH-UHFFFAOYSA-N 0 0 588.806 7.923 40 10 KKCBRN Cc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000005809090 552509669 /nfs/dbraw/zinc/50/96/69/552509669.db2.gz QSTROFQJAAFIMJ-XAHDOWKMSA-N 0 0 534.019 8.263 40 10 KKCBRN O=C1/C(=C/c2cccc(Cl)c2)N=C(c2ccccc2)N1n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005851482 552511173 /nfs/dbraw/zinc/51/11/73/552511173.db2.gz CWRYGBUNNYNGAO-XHPQRKPJSA-N 0 0 502.961 5.683 40 10 KKCBRN CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000005941089 552513796 /nfs/dbraw/zinc/51/37/96/552513796.db2.gz CCBWYYKVKJXQCW-RHLJTMRVSA-N 0 0 556.662 6.776 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006475278 552593310 /nfs/dbraw/zinc/59/33/10/552593310.db2.gz XPMQSZXZTMMBMR-QQNWGBJXSA-N 0 0 506.518 6.735 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000006480722 552593586 /nfs/dbraw/zinc/59/35/86/552593586.db2.gz SAAJJCIUCIMOFV-NMWGTECJSA-N 0 0 510.681 6.044 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O ZINC000008819308 553154002 /nfs/dbraw/zinc/15/40/02/553154002.db2.gz GENVIBMKDLFJAH-IUXPMGMMSA-N 0 0 501.844 5.885 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000008819619 553154510 /nfs/dbraw/zinc/15/45/10/553154510.db2.gz GZYPMINXYKBOCR-JLPGSUDCSA-N 0 0 502.617 5.702 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008819852 553154514 /nfs/dbraw/zinc/15/45/14/553154514.db2.gz XGNQROFBKHCWHD-MOSHPQCFSA-N 0 0 509.480 6.402 40 10 KKCBRN CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819923 553154666 /nfs/dbraw/zinc/15/46/66/553154666.db2.gz SVOUYTRCYCSRFY-QJOMJCCJSA-N 0 0 514.669 5.503 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000008820076 553155124 /nfs/dbraw/zinc/15/51/24/553155124.db2.gz HUVXVCUKJGDJIY-HKWRFOASSA-N 0 0 503.045 5.527 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000008820382 553155418 /nfs/dbraw/zinc/15/54/18/553155418.db2.gz GOZSESRBKKQQLX-YCZKWLMNSA-N 0 0 512.678 5.200 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008821761 553155794 /nfs/dbraw/zinc/15/57/94/553155794.db2.gz IRLDHQRKTMCMRB-UQQQWYQISA-N 0 0 508.018 5.851 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1OC ZINC000008821263 553155877 /nfs/dbraw/zinc/15/58/77/553155877.db2.gz SRBPCIOMLOCOJS-ONUIUJJFSA-N 0 0 505.661 6.035 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O ZINC000008833889 553160373 /nfs/dbraw/zinc/16/03/73/553160373.db2.gz IFRSDGJRRXSAOE-RCYLNMRYSA-N 0 0 505.690 6.377 40 10 KKCBRN Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1C ZINC000008857544 553168253 /nfs/dbraw/zinc/16/82/53/553168253.db2.gz GKMLCKOGBMOHBJ-UHFFFAOYSA-N 0 0 506.674 7.032 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000009014142 553200092 /nfs/dbraw/zinc/20/00/92/553200092.db2.gz NLHCVMVLPUXLBR-ZONZVBGPSA-N 0 0 510.977 5.321 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000009014144 553200123 /nfs/dbraw/zinc/20/01/23/553200123.db2.gz NLHCVMVLPUXLBR-PFBJBMPXSA-N 0 0 510.977 5.321 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 ZINC000009660189 553293266 /nfs/dbraw/zinc/29/32/66/553293266.db2.gz QSHYOVGQNWEXKU-QOMWVZHYSA-N 0 0 521.660 5.966 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000010113548 553329305 /nfs/dbraw/zinc/32/93/05/553329305.db2.gz ZQKBITWAIJVQSQ-UHFFFAOYSA-N 0 0 512.075 5.069 40 10 KKCBRN COc1ccc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000012445979 553366584 /nfs/dbraw/zinc/36/65/84/553366584.db2.gz LFJUGSGLEUVNLP-FMCGGJTJSA-N 0 0 509.971 6.227 40 10 KKCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)CCC2 ZINC000013025083 553435333 /nfs/dbraw/zinc/43/53/33/553435333.db2.gz PQPYWQQTYXYTHQ-LJAQVGFWSA-N 0 0 513.638 5.052 40 10 KKCBRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1F ZINC000013025065 553435378 /nfs/dbraw/zinc/43/53/78/553435378.db2.gz ZTMMBIVYUOCROL-MHZLTWQESA-N 0 0 505.590 5.011 40 10 KKCBRN CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025146 553435479 /nfs/dbraw/zinc/43/54/79/553435479.db2.gz QPJFDCOMFHAWRP-DJUQAAIZSA-N 0 0 529.681 6.077 40 10 KKCBRN O=c1c2ccccc2c(=O)c2c1cc(Cl)c1nc3c(nc12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000013551551 553470442 /nfs/dbraw/zinc/47/04/42/553470442.db2.gz YOVMQQDQDFZXHJ-UHFFFAOYSA-N 0 0 509.304 5.019 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(Cl)c2C)cc1 ZINC000013646879 553480027 /nfs/dbraw/zinc/48/00/27/553480027.db2.gz LXVITVZHAXIQLV-UHFFFAOYSA-N 0 0 512.075 5.069 40 10 KKCBRN CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(OCC)c1 ZINC000013914543 553495459 /nfs/dbraw/zinc/49/54/59/553495459.db2.gz BWGFOKTYBBVALO-LDADJPATSA-N 0 0 501.377 5.316 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000015012022 553525417 /nfs/dbraw/zinc/52/54/17/553525417.db2.gz CKNHKHGTLAOUAX-MFKUBSTISA-N 0 0 518.660 5.731 40 10 KKCBRN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccc(Br)cc1-2 ZINC000015015893 553526118 /nfs/dbraw/zinc/52/61/18/553526118.db2.gz ULUMWLKBIJYHLO-HSZRJFAPSA-N 0 0 528.520 6.933 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000016292308 553558992 /nfs/dbraw/zinc/55/89/92/553558992.db2.gz XRMPOVJMLUTNAU-QRQIAZFYSA-N 0 0 511.668 7.137 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)ccc3o2)cc1 ZINC000016678622 553571853 /nfs/dbraw/zinc/57/18/53/553571853.db2.gz VFHYKBLUJGZEJL-UHFFFAOYSA-N 0 0 509.031 6.130 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000016678625 553571935 /nfs/dbraw/zinc/57/19/35/553571935.db2.gz AQAMGKLYWOJZPZ-UHFFFAOYSA-N 0 0 513.450 6.775 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000016689167 553573474 /nfs/dbraw/zinc/57/34/74/553573474.db2.gz BWRFJWVMKACVQM-MIXAMLLLSA-N 0 0 525.695 7.527 40 10 KKCBRN CC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000017860615 553600383 /nfs/dbraw/zinc/60/03/83/553600383.db2.gz OJYNXNDOYDBVRC-YLACRTQPSA-N 0 0 504.554 8.850 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000018006511 553601369 /nfs/dbraw/zinc/60/13/69/553601369.db2.gz SVTOWKUKWKAKSV-KWXIBIRDSA-N 0 0 549.966 5.827 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)cc2)cc1 ZINC000020287802 553632991 /nfs/dbraw/zinc/63/29/91/553632991.db2.gz MUVHEZCIOBXRFE-RRAHZORUSA-N 0 0 519.561 6.484 40 10 KKCBRN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000071382509 553635315 /nfs/dbraw/zinc/63/53/15/553635315.db2.gz CNGICHMTGRWUPJ-RBBKRZOGSA-N 0 0 564.686 5.519 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)cc2)cc1 ZINC000083260291 553676442 /nfs/dbraw/zinc/67/64/42/553676442.db2.gz BZYHVCJQHQJAAY-ZXVVBBHZSA-N 0 0 519.513 5.657 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)c(OCC)c3)C2=N)S1 ZINC000097958920 553859073 /nfs/dbraw/zinc/85/90/73/553859073.db2.gz NHAGZUWEQCPCAK-WWADPWHWSA-N 0 0 534.682 6.476 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc([C@H](C)CC)cc3)C2=N)S1 ZINC000097958995 553859752 /nfs/dbraw/zinc/85/97/52/553859752.db2.gz PSJQFMSUINANNL-GVNBJROBSA-N 0 0 555.498 6.450 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc(Br)cc3)C2=N)S1 ZINC000097959172 553861329 /nfs/dbraw/zinc/86/13/29/553861329.db2.gz VIQFBYFCUINNQK-NFBUKIRSSA-N 0 0 578.286 5.699 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000032109419 553862854 /nfs/dbraw/zinc/86/28/54/553862854.db2.gz ORUVNJVRJJFCBX-XMOAORJKSA-N 0 0 513.019 5.390 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000032109377 553862912 /nfs/dbraw/zinc/86/29/12/553862912.db2.gz LVRMCDGNDAWZMO-PERRAXLGSA-N 0 0 513.019 5.452 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000097964325 553897244 /nfs/dbraw/zinc/89/72/44/553897244.db2.gz GHOOSAIXXLOPOU-DDYYTXIRSA-N 0 0 537.664 6.664 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2\C(=O)N=C3SN=C(SCc4ccccc4)N3C2=N)cc1 ZINC000097964359 553897501 /nfs/dbraw/zinc/89/75/01/553897501.db2.gz GCNRQHADCGDTHK-GKCQNQFKSA-N 0 0 584.767 7.558 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964791 553900876 /nfs/dbraw/zinc/90/08/76/553900876.db2.gz OTBBGPHYSSDWAB-LIJRKZIRSA-N 0 0 548.672 6.215 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964805 553900933 /nfs/dbraw/zinc/90/09/33/553900933.db2.gz QRSJQCBKNDVRGN-CXGFAMPPSA-N 0 0 531.428 6.059 40 10 KKCBRN Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000097964816 553900990 /nfs/dbraw/zinc/90/09/90/553900990.db2.gz NPSRDCNSBWSUQH-GIFFBUQOSA-N 0 0 532.025 5.559 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1 ZINC000097964898 553901566 /nfs/dbraw/zinc/90/15/66/553901566.db2.gz YVBVSOOGJIMFDL-KYDMHWDFSA-N 0 0 598.725 6.802 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCSc1ccccc1 ZINC000097964993 553902254 /nfs/dbraw/zinc/90/22/54/553902254.db2.gz OBSXZIKKHMYNAD-KQWNVCNZSA-N 0 0 528.120 6.921 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000097972193 553966427 /nfs/dbraw/zinc/96/64/27/553966427.db2.gz IUJFPKGBQVGKRW-RTWAWAEBSA-N 0 0 603.692 8.812 40 10 KKCBRN Cc1cccc(C)c1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000033725630 553970403 /nfs/dbraw/zinc/97/04/03/553970403.db2.gz VIXHQGUUHBGHHV-JTTMBOACSA-N 0 0 520.618 5.400 40 10 KKCBRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097979548 553980251 /nfs/dbraw/zinc/98/02/51/553980251.db2.gz GGUMQHULSDTRPU-ULIFNZDWSA-N 0 0 526.021 7.185 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979989 553984239 /nfs/dbraw/zinc/98/42/39/553984239.db2.gz OCKBIWXCNUZBMP-LJAKHJNTSA-N 0 0 558.726 7.174 40 10 KKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1 ZINC000097980412 553988380 /nfs/dbraw/zinc/98/83/80/553988380.db2.gz IVRJRMHKQVLBSX-QVIHXGFCSA-N 0 0 547.464 6.299 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)c1ccc(Br)cc1 ZINC000098002638 554053858 /nfs/dbraw/zinc/05/38/58/554053858.db2.gz HHDNBQMRWHTRDF-MCEYFSPLSA-N 0 0 567.277 7.078 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007409 554064209 /nfs/dbraw/zinc/06/42/09/554064209.db2.gz TUSBNAZTENHWPG-FAQZDJIUSA-N 0 0 568.095 5.164 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000036080010 554174540 /nfs/dbraw/zinc/17/45/40/554174540.db2.gz XHHXFJDYVKSIAZ-MXCZQEKXSA-N 0 0 526.772 5.903 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000037170961 554230809 /nfs/dbraw/zinc/23/08/09/554230809.db2.gz UUPRCUYYFRKMDR-IWHLBADBSA-N 0 0 504.468 7.987 40 10 KKCBRN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c3ccccc23)o1 ZINC000100148113 554230935 /nfs/dbraw/zinc/23/09/35/554230935.db2.gz UNEPOWBQZZBLFS-HYARGMPZSA-N 0 0 525.324 7.687 40 10 KKCBRN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000100164343 554235766 /nfs/dbraw/zinc/23/57/66/554235766.db2.gz DBLJRBTUANFKAB-JAIQZWGSSA-N 0 0 550.851 5.679 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000100182574 554241980 /nfs/dbraw/zinc/24/19/80/554241980.db2.gz QQIAZBBGKRJHEO-NLRVBDNBSA-N 0 0 613.508 7.682 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100216189 554250678 /nfs/dbraw/zinc/25/06/78/554250678.db2.gz HQLBIMACKDURNZ-LNXFQTKESA-N 0 0 584.500 5.652 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000100222842 554252018 /nfs/dbraw/zinc/25/20/18/554252018.db2.gz ZGQDGUOKKRXJBH-HZHRSRAPSA-N 0 0 618.427 6.441 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1O ZINC000100229893 554255285 /nfs/dbraw/zinc/25/52/85/554255285.db2.gz PCFNRKHWOQZDER-HZHRSRAPSA-N 0 0 571.427 6.598 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000100229996 554255612 /nfs/dbraw/zinc/25/56/12/554255612.db2.gz CLIBHHGABNFBGI-WGOQTCKBSA-N 0 0 541.445 7.386 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000100241548 554260554 /nfs/dbraw/zinc/26/05/54/554260554.db2.gz KXBKTPZNJXWBCZ-BUVRLJJBSA-N 0 0 604.975 7.885 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC1=S ZINC000100264775 554266657 /nfs/dbraw/zinc/26/66/57/554266657.db2.gz PKXGJHCFHAZBTP-YBFXNURJSA-N 0 0 549.309 6.775 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCSc1cccc2ccccc21 ZINC000100267247 554267415 /nfs/dbraw/zinc/26/74/15/554267415.db2.gz JCTYCSGVOKNRIS-BFYSQZLCSA-N 0 0 530.675 6.439 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100268180 554267940 /nfs/dbraw/zinc/26/79/40/554267940.db2.gz SWVBNBWZOOLNBW-PQTICNAISA-N 0 0 575.916 6.745 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000100268073 554267968 /nfs/dbraw/zinc/26/79/68/554267968.db2.gz ZISVPOHXKXVVIM-UNJPEWJUSA-N 0 0 543.045 5.624 40 10 KKCBRN CCCCCCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OCC)cc1 ZINC000100268443 554268139 /nfs/dbraw/zinc/26/81/39/554268139.db2.gz UZNJSMQGNWUEKU-WZSCAAHASA-N 0 0 588.652 6.847 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000100268428 554268148 /nfs/dbraw/zinc/26/81/48/554268148.db2.gz QDYXWYRJHIGKTR-BDNZXYEYSA-N 0 0 560.598 6.156 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100268410 554268177 /nfs/dbraw/zinc/26/81/77/554268177.db2.gz JDMOUBPQMOMMLV-NWBHEMRHSA-N 0 0 546.571 5.848 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100268527 554268196 /nfs/dbraw/zinc/26/81/96/554268196.db2.gz ZTKDQDGWZCOOSD-GEJVFOBVSA-N 0 0 562.570 5.050 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000100286200 554280156 /nfs/dbraw/zinc/28/01/56/554280156.db2.gz ZIVIMSHYROSRCF-VRUMLPLGSA-N 0 0 533.378 6.224 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000040846792 554291661 /nfs/dbraw/zinc/29/16/61/554291661.db2.gz XXDAZSYFGYJFGJ-XKZIYDEJSA-N 0 0 502.444 6.987 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000041074292 554292008 /nfs/dbraw/zinc/29/20/08/554292008.db2.gz KBZVKMUSEAUTBH-JTTMBOACSA-N 0 0 508.006 6.497 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100304732 554293060 /nfs/dbraw/zinc/29/30/60/554293060.db2.gz NWHYMMMHXPNRHE-FUFNRSNVSA-N 0 0 560.119 5.593 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(Cl)cc4C)c4ccccc34)C2=N)S1 ZINC000041083430 554293923 /nfs/dbraw/zinc/29/39/23/554293923.db2.gz KDQYOWYVRPEQBC-PPIATVRMSA-N 0 0 506.031 6.101 40 10 KKCBRN COc1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1 ZINC000041108088 554295142 /nfs/dbraw/zinc/29/51/42/554295142.db2.gz GIQGDXYEJFMSFE-WQNCQSPLSA-N 0 0 512.591 5.129 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041108036 554295223 /nfs/dbraw/zinc/29/52/23/554295223.db2.gz ZHSGPXGHGUROTP-JTPDXPAISA-N 0 0 507.915 5.184 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000041108039 554295255 /nfs/dbraw/zinc/29/52/55/554295255.db2.gz AIHKDMJSIWSNMV-VBQUMQFVSA-N 0 0 509.566 5.527 40 10 KKCBRN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C ZINC000041108024 554295265 /nfs/dbraw/zinc/29/52/65/554295265.db2.gz IYXHEEBKEUXNHD-YIGXYTLDSA-N 0 0 504.015 5.814 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OC ZINC000100319609 554304202 /nfs/dbraw/zinc/30/42/02/554304202.db2.gz KIOQWHKCILUECZ-HZHRSRAPSA-N 0 0 571.427 6.511 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1O ZINC000100319601 554304211 /nfs/dbraw/zinc/30/42/11/554304211.db2.gz BHWPIRCJQMEBPA-HYARGMPZSA-N 0 0 557.400 6.208 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000100319632 554304236 /nfs/dbraw/zinc/30/42/36/554304236.db2.gz WBHVPTLEPFHHAI-HZHRSRAPSA-N 0 0 618.427 6.353 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000100319671 554304243 /nfs/dbraw/zinc/30/42/43/554304243.db2.gz AUTCHXARRMPVHP-HYARGMPZSA-N 0 0 604.400 6.050 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000100320029 554304486 /nfs/dbraw/zinc/30/44/86/554304486.db2.gz GJUDRXDYANBZAC-ZVHZXABRSA-N 0 0 574.414 7.322 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1F ZINC000100319946 554304553 /nfs/dbraw/zinc/30/45/53/554304553.db2.gz RKLVADOXOWNOEG-UDWIEESQSA-N 0 0 542.348 5.824 40 10 KKCBRN CC(=O)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000100332835 554315373 /nfs/dbraw/zinc/31/53/73/554315373.db2.gz HCKSZBGIFRFRII-MGBGTMOVSA-N 0 0 550.703 6.202 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000100339202 554324069 /nfs/dbraw/zinc/32/40/69/554324069.db2.gz FDPMJEYBJPYLSX-XKZIYDEJSA-N 0 0 576.481 5.835 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)O2)cc1 ZINC000100340864 554325122 /nfs/dbraw/zinc/32/51/22/554325122.db2.gz CHQSFAZMMLYYRQ-OEAKJJBVSA-N 0 0 543.413 7.180 40 10 KKCBRN CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000051090834 554328871 /nfs/dbraw/zinc/32/88/71/554328871.db2.gz OQDKQQIJHWYULB-YZSQISJMSA-N 0 0 526.552 5.225 40 10 KKCBRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000100357204 554337788 /nfs/dbraw/zinc/33/77/88/554337788.db2.gz UZNSTMMJXCQQRA-MHZLTWQESA-N 0 0 538.044 5.225 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368057 554354215 /nfs/dbraw/zinc/35/42/15/554354215.db2.gz KHMJXTQZPGVPBD-MSXFZWOLSA-N 0 0 565.742 6.503 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058846090 554366083 /nfs/dbraw/zinc/36/60/83/554366083.db2.gz JEYYEXDPBDLIMT-UNVFRBQDSA-N 0 0 510.015 6.438 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846391 554366091 /nfs/dbraw/zinc/36/60/91/554366091.db2.gz FYHREFMQMWZAQE-PFPZSTESSA-N 0 0 520.651 5.957 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1C ZINC000058846526 554366342 /nfs/dbraw/zinc/36/63/42/554366342.db2.gz OWRULTMKQSWYIO-UZINWLIJSA-N 0 0 510.015 6.492 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846722 554366351 /nfs/dbraw/zinc/36/63/51/554366351.db2.gz GNAYJPGLGJDAIB-OREGWCPLSA-N 0 0 505.596 5.848 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846839 554366429 /nfs/dbraw/zinc/36/64/29/554366429.db2.gz XKBJFWUTFDMZGL-BXTSTYNKSA-N 0 0 502.636 6.224 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846496 554366458 /nfs/dbraw/zinc/36/64/58/554366458.db2.gz SECOXWOIQJDICN-FYQCMVGJSA-N 0 0 505.596 5.848 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058846781 554366503 /nfs/dbraw/zinc/36/65/03/554366503.db2.gz HPWVJKQAJUJKRI-XXAUWVGASA-N 0 0 513.490 7.744 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846924 554366707 /nfs/dbraw/zinc/36/67/07/554366707.db2.gz LRCOYEZARYVZGV-WTNLLYQRSA-N 0 0 508.643 6.990 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846921 554366836 /nfs/dbraw/zinc/36/68/36/554366836.db2.gz YZWDKZAOWOKKNI-WTNLLYQRSA-N 0 0 508.643 6.990 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847794 554367089 /nfs/dbraw/zinc/36/70/89/554367089.db2.gz WYDNVIOCBAJVHR-LZCXECNNSA-N 0 0 515.462 7.019 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848077 554367292 /nfs/dbraw/zinc/36/72/92/554367292.db2.gz LWFOULRDVNTVDT-CEYNDMKZSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848052 554367395 /nfs/dbraw/zinc/36/73/95/554367395.db2.gz FOPYXJDMXPWQGP-UNVFRBQDSA-N 0 0 511.043 6.293 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847950 554367463 /nfs/dbraw/zinc/36/74/63/554367463.db2.gz CKIKPFGMKQZLKM-LZCXECNNSA-N 0 0 509.027 6.062 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848360 554367604 /nfs/dbraw/zinc/36/76/04/554367604.db2.gz DRMTTYXEIMWYFW-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1 ZINC000058848512 554367966 /nfs/dbraw/zinc/36/79/66/554367966.db2.gz IAACLUSIIFPPPJ-OREGWCPLSA-N 0 0 522.623 5.348 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058848929 554368291 /nfs/dbraw/zinc/36/82/91/554368291.db2.gz KCYOLWAQYGLHAB-WZOHSFFVSA-N 0 0 511.441 6.085 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)c1 ZINC000058848838 554368398 /nfs/dbraw/zinc/36/83/98/554368398.db2.gz VDQYZALWHQHFLX-OREGWCPLSA-N 0 0 522.623 5.348 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058849078 554368406 /nfs/dbraw/zinc/36/84/06/554368406.db2.gz KUKLFCXOVBPNGX-GNBJCERTSA-N 0 0 515.462 7.019 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058849204 554368729 /nfs/dbraw/zinc/36/87/29/554368729.db2.gz BXXGKSLJDYDNEV-FVXXUCQHSA-N 0 0 512.606 7.245 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1OC ZINC000058849575 554368980 /nfs/dbraw/zinc/36/89/80/554368980.db2.gz GMCXLYSJVSMHOC-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849534 554368996 /nfs/dbraw/zinc/36/89/96/554368996.db2.gz NILZYYLSMPSWEI-SXDGJLEOSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1OC ZINC000058849564 554369153 /nfs/dbraw/zinc/36/91/53/554369153.db2.gz VAQUSKSYXIFJEV-ANSQWYIGSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000058849788 554369469 /nfs/dbraw/zinc/36/94/69/554369469.db2.gz KNBMAUXVLFTLDD-BALWLHIASA-N 0 0 506.624 5.648 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058850030 554369516 /nfs/dbraw/zinc/36/95/16/554369516.db2.gz MAECAFWWWHTMTQ-GLDPYIMESA-N 0 0 515.513 6.241 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850246 554369770 /nfs/dbraw/zinc/36/97/70/554369770.db2.gz OYJRQRHYUCGAHJ-GLDPYIMESA-N 0 0 515.860 6.730 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058850083 554369852 /nfs/dbraw/zinc/36/98/52/554369852.db2.gz YZRRSKVNQQDCPB-BBANNHEPSA-N 0 0 512.631 6.484 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850250 554369875 /nfs/dbraw/zinc/36/98/75/554369875.db2.gz PAXPXBDMQTVDSE-QLODZENZSA-N 0 0 503.426 7.068 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000058903854 554371261 /nfs/dbraw/zinc/37/12/61/554371261.db2.gz SXOQOZNHURPTQQ-JCMHNJIXSA-N 0 0 520.944 5.374 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100398927 554372282 /nfs/dbraw/zinc/37/22/82/554372282.db2.gz BSOKOWOSNAKZNH-PCLIKHOPSA-N 0 0 585.603 8.585 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000100410322 554374949 /nfs/dbraw/zinc/37/49/49/554374949.db2.gz OSZGBPZNFYRIMK-UDWIEESQSA-N 0 0 585.358 7.464 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Oc5ccc(Cl)cc5)cc4)C(=O)[C@H]32)cc1 ZINC000100414474 554378904 /nfs/dbraw/zinc/37/89/04/554378904.db2.gz ZIVSOIYCCBEZCJ-OZNIXHKMSA-N 0 0 563.993 6.136 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000100414887 554380300 /nfs/dbraw/zinc/38/03/00/554380300.db2.gz XESVDMRVXFHPCN-SBHAEUEKSA-N 0 0 571.210 5.451 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000100415071 554380533 /nfs/dbraw/zinc/38/05/33/554380533.db2.gz IXOYMYPAEHFQCB-NJYVYQBISA-N 0 0 571.210 5.451 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000100415201 554380912 /nfs/dbraw/zinc/38/09/12/554380912.db2.gz DQDDQGKNOOSVGF-CIAFOILYSA-N 0 0 593.337 7.331 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000100415367 554381465 /nfs/dbraw/zinc/38/14/65/554381465.db2.gz ZAOKYLLOBXEJBV-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O ZINC000100415630 554381746 /nfs/dbraw/zinc/38/17/46/554381746.db2.gz WTVXAUUZHDFMAO-BHIFYINESA-N 0 0 540.786 5.650 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059138972 554382656 /nfs/dbraw/zinc/38/26/56/554382656.db2.gz YMLOIZFQPHVECP-IMRQLAEWSA-N 0 0 520.545 5.894 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000059139028 554382851 /nfs/dbraw/zinc/38/28/51/554382851.db2.gz LQJHZMIWEZCSRW-ZTKZIYFRSA-N 0 0 519.601 6.385 40 10 KKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000059139015 554382909 /nfs/dbraw/zinc/38/29/09/554382909.db2.gz XRCAOLYIBDVDKX-VFCFBJKWSA-N 0 0 503.602 6.548 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000059139112 554383010 /nfs/dbraw/zinc/38/30/10/554383010.db2.gz VYMCYUJRETUPSK-XIEYBQDHSA-N 0 0 506.514 5.625 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1I ZINC000100418823 554385460 /nfs/dbraw/zinc/38/54/60/554385460.db2.gz DMNFTQLQUMLIBW-ZHZULCJRSA-N 0 0 543.407 5.916 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000059417896 554393858 /nfs/dbraw/zinc/39/38/58/554393858.db2.gz LJVGMMAWYIFICP-YBFXNURJSA-N 0 0 501.383 6.332 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000059484776 554397820 /nfs/dbraw/zinc/39/78/20/554397820.db2.gz PESHNBILKHACBP-SGWCAAJKSA-N 0 0 503.602 6.578 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000059513154 554400751 /nfs/dbraw/zinc/40/07/51/554400751.db2.gz GNZYGSWWBQDIHC-FATJQOLTSA-N 0 0 527.693 6.035 40 10 KKCBRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100483419 554402093 /nfs/dbraw/zinc/40/20/93/554402093.db2.gz NFLOUWUIRVIJSY-UHFFFAOYSA-N 0 0 571.124 5.750 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Br)c3)SC2=S)cc1 ZINC000059609031 554411862 /nfs/dbraw/zinc/41/18/62/554411862.db2.gz XGVWNHZGDYITNV-QRVIBDJDSA-N 0 0 528.468 6.877 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059608959 554411871 /nfs/dbraw/zinc/41/18/71/554411871.db2.gz OHQPAOJYAYJEPE-MYYYXRDXSA-N 0 0 526.079 6.728 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059608982 554411893 /nfs/dbraw/zinc/41/18/93/554411893.db2.gz VZJJGBKTPXUACS-MIXAMLLLSA-N 0 0 541.694 7.228 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000059609087 554412222 /nfs/dbraw/zinc/41/22/22/554412222.db2.gz KRWVKLSEHUJKIZ-MSXFZWOLSA-N 0 0 530.498 7.291 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000059690704 554424605 /nfs/dbraw/zinc/42/46/05/554424605.db2.gz VPVSJAANSNLXGS-BPTDDQHESA-N 0 0 627.619 7.077 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000059690708 554424653 /nfs/dbraw/zinc/42/46/53/554424653.db2.gz VPVSJAANSNLXGS-NMTARAHESA-N 0 0 627.619 7.077 40 10 KKCBRN Cc1c(Cl)cccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000100582314 554425484 /nfs/dbraw/zinc/42/54/84/554425484.db2.gz FJJFMPFEPYQPEJ-FDFHNCONSA-N 0 0 550.792 5.106 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCCCC2)=NC1=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 ZINC000100662093 554439408 /nfs/dbraw/zinc/43/94/08/554439408.db2.gz ADEGFSHCTMQJME-UNICEJHHSA-N 0 0 528.624 7.148 40 10 KKCBRN COc1cc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)SC2=S)ccc1O ZINC000100859898 554494393 /nfs/dbraw/zinc/49/43/93/554494393.db2.gz TWBQFWXNUXEBCI-UUYOSTAYSA-N 0 0 572.020 5.088 40 10 KKCBRN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000100864406 554497111 /nfs/dbraw/zinc/49/71/11/554497111.db2.gz VCWGTTVFEDKGMQ-MCJRHQCWSA-N 0 0 576.834 7.462 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100927987 554524917 /nfs/dbraw/zinc/52/49/17/554524917.db2.gz DXSXTHLHHKKGQI-ZMOGYAJESA-N 0 0 530.498 7.373 40 10 KKCBRN CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000067665117 554533238 /nfs/dbraw/zinc/53/32/38/554533238.db2.gz MSRHZFCRISNCIN-ZJJOJAIXSA-N 0 0 705.647 5.406 40 10 in-vitro KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000101002068 554552492 /nfs/dbraw/zinc/55/24/92/554552492.db2.gz PFBPZVCXQILASL-APSNUPSMSA-N 0 0 516.269 5.986 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000101002056 554552503 /nfs/dbraw/zinc/55/25/03/554552503.db2.gz RVSSRCXPNPNQBR-GDNBJRDFSA-N 0 0 516.269 5.986 40 10 KKCBRN O=C(CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCCC3)C2=O)SC1=S)N1CCCCC1 ZINC000101002493 554553032 /nfs/dbraw/zinc/55/30/32/554553032.db2.gz KHFNFAVTRCTNBB-OCOZRVBESA-N 0 0 638.947 5.455 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)c1 ZINC000101002780 554553385 /nfs/dbraw/zinc/55/33/85/554553385.db2.gz TVUPCOVAIKHMOA-IWIPYMOSSA-N 0 0 553.130 7.160 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000101005249 554553552 /nfs/dbraw/zinc/55/35/52/554553552.db2.gz SEQWGGCTWPEFPV-MOSHPQCFSA-N 0 0 530.096 5.626 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1OC ZINC000101005783 554553971 /nfs/dbraw/zinc/55/39/71/554553971.db2.gz XIBNKDFQHPBVEI-MYYYXRDXSA-N 0 0 583.156 7.168 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1OC ZINC000101006844 554554530 /nfs/dbraw/zinc/55/45/30/554554530.db2.gz KQXVSXOJHQZFSN-MEFGMAGPSA-N 0 0 552.762 5.947 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000101006975 554554579 /nfs/dbraw/zinc/55/45/79/554554579.db2.gz WJKUWHNJWGCUMA-NDENLUEZSA-N 0 0 522.570 5.834 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC ZINC000101006947 554554619 /nfs/dbraw/zinc/55/46/19/554554619.db2.gz ZGUVJSJVIKPPNX-QNGOZBTKSA-N 0 0 527.693 5.714 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101007084 554554816 /nfs/dbraw/zinc/55/48/16/554554816.db2.gz OAZCUWHQSQQTKA-YSMPRRRNSA-N 0 0 595.167 7.660 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000101007116 554554961 /nfs/dbraw/zinc/55/49/61/554554961.db2.gz LFWVECSSMXVRDW-JAIQZWGSSA-N 0 0 571.935 6.834 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000101007250 554555229 /nfs/dbraw/zinc/55/52/29/554555229.db2.gz RNWQRVFNLKLOCL-UNOMPAQXSA-N 0 0 547.451 7.413 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000101007321 554555263 /nfs/dbraw/zinc/55/52/63/554555263.db2.gz SBKHJQDMWGYVGY-QNGOZBTKSA-N 0 0 528.124 6.864 40 10 KKCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000101007380 554555463 /nfs/dbraw/zinc/55/54/63/554555463.db2.gz YQBIDOGGGYTOOS-WUXMJOGZSA-N 0 0 597.173 5.876 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007653 554555663 /nfs/dbraw/zinc/55/56/63/554555663.db2.gz IUNVFYNBZHQJPS-DYERZYITSA-N 0 0 559.660 6.539 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000101007656 554555690 /nfs/dbraw/zinc/55/56/90/554555690.db2.gz KPBPIGHOZPCQOZ-BTXLNPSKSA-N 0 0 526.705 5.590 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)C1=O ZINC000101007790 554555939 /nfs/dbraw/zinc/55/59/39/554555939.db2.gz YZDRKZBRLOQLEW-FDSXRJBDSA-N 0 0 533.744 6.609 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101008202 554556319 /nfs/dbraw/zinc/55/63/19/554556319.db2.gz ZHIWQEZDBFEMGZ-FYJGNVAPSA-N 0 0 528.124 6.316 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1OC ZINC000101011436 554558013 /nfs/dbraw/zinc/55/80/13/554558013.db2.gz FZQYROUUKUEONW-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1OC ZINC000101011746 554558313 /nfs/dbraw/zinc/55/83/13/554558313.db2.gz QLHYTULUOQYZTF-LPYMAVHISA-N 0 0 531.011 5.969 40 10 KKCBRN CC(C)COC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCC(C)C)c4)C3=O)SC2=S)c1 ZINC000101017013 554560798 /nfs/dbraw/zinc/56/07/98/554560798.db2.gz OEOJFPSMHWNCQN-QURGRASLSA-N 0 0 614.792 5.953 40 10 KKCBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=S)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000101025354 554563552 /nfs/dbraw/zinc/56/35/52/554563552.db2.gz AZCPBIFXEOZGJD-UCQKPKSFSA-N 0 0 525.051 6.403 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101073529 554576771 /nfs/dbraw/zinc/57/67/71/554576771.db2.gz IXRJLJURFXLQJX-NJYVYQBISA-N 0 0 571.210 5.451 40 10 KKCBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000101342885 554736159 /nfs/dbraw/zinc/73/61/59/554736159.db2.gz SHEWXKYLUKDUKX-QQJNOOCOSA-N 0 0 545.526 5.539 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)c(Br)c(Br)c1OC ZINC000101534588 554795452 /nfs/dbraw/zinc/79/54/52/554795452.db2.gz JTDLRFITRFJPDJ-UKTHLTGXSA-N 0 0 528.628 6.078 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)SC1=S ZINC000101568054 554797681 /nfs/dbraw/zinc/79/76/81/554797681.db2.gz WHAFGZUBYKAQQD-JAIQZWGSSA-N 0 0 526.905 6.691 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000101575446 554799052 /nfs/dbraw/zinc/79/90/52/554799052.db2.gz GCUIJRPLQYATGZ-XQNSMLJCSA-N 0 0 562.022 5.739 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)c1ccccc1 ZINC000101598154 554803640 /nfs/dbraw/zinc/80/36/40/554803640.db2.gz CYBDKNHOKUZTCL-QPWMFTQFSA-N 0 0 584.584 5.836 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101598159 554803654 /nfs/dbraw/zinc/80/36/54/554803654.db2.gz PUPCOLTZMGEGFH-ILJQZKEFSA-N 0 0 557.577 6.067 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101620624 554809371 /nfs/dbraw/zinc/80/93/71/554809371.db2.gz OMSIRKHLUOPSTM-PKAZHMFMSA-N 0 0 620.027 7.610 40 10 KKCBRN CCCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(S(N)(=O)=O)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000101673447 554826942 /nfs/dbraw/zinc/82/69/42/554826942.db2.gz XAKPVVUKVDOESK-UHFFFAOYSA-N 0 0 560.675 6.577 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000102445705 554930506 /nfs/dbraw/zinc/93/05/06/554930506.db2.gz ONTIVAYIEBQZPE-UHSZJLINSA-N 0 0 548.686 6.968 40 10 KKCBRN COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5Cl)=CSC4=NC3=O)cc2OC)cc1 ZINC000102464776 554935673 /nfs/dbraw/zinc/93/56/73/554935673.db2.gz NRWWINGODZDBPV-GBAQIOGOSA-N 0 0 576.074 6.509 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000102469871 554936372 /nfs/dbraw/zinc/93/63/72/554936372.db2.gz FBRBSYLZZFIPNK-PWQJDXPXSA-N 0 0 571.350 5.747 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102557260 554965251 /nfs/dbraw/zinc/96/52/51/554965251.db2.gz AQDSQYYSDDPJTL-RTOKGZNSSA-N 0 0 590.075 6.982 40 10 KKCBRN Cc1nn(C(=O)c2c(C)onc2-c2ccccc2)c(C)c1/N=N\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102852629 555086223 /nfs/dbraw/zinc/08/62/23/555086223.db2.gz RSPOOOKZIIMJNA-MVJHLKBCSA-N 0 0 521.421 7.605 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102870207 555100397 /nfs/dbraw/zinc/10/03/97/555100397.db2.gz VHRXMBHKXFUVFM-PKTNWEFCSA-N 0 0 600.509 6.515 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102870640 555100952 /nfs/dbraw/zinc/10/09/52/555100952.db2.gz ZXBKDJIBTDEEBP-RTOKGZNSSA-N 0 0 555.630 6.410 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000102887190 555118373 /nfs/dbraw/zinc/11/83/73/555118373.db2.gz ZQWFLSGLNKYADC-TWJOJJKGSA-N 0 0 609.347 7.805 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102895678 555134864 /nfs/dbraw/zinc/13/48/64/555134864.db2.gz CTDZVSYQIZUPBT-PKTNWEFCSA-N 0 0 556.058 6.406 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103540680 555438017 /nfs/dbraw/zinc/43/80/17/555438017.db2.gz KOOKTAXLQWADJT-PLJDCMBSSA-N 0 0 597.711 7.219 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103541281 555438666 /nfs/dbraw/zinc/43/86/66/555438666.db2.gz CGJABXVVKWJQAL-PAPOKCFQSA-N 0 0 562.710 6.482 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103541427 555438757 /nfs/dbraw/zinc/43/87/57/555438757.db2.gz KOSLSNNEURTIQT-NGDRWEMDSA-N 0 0 556.574 5.920 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103545497 555440489 /nfs/dbraw/zinc/44/04/89/555440489.db2.gz HVBKQLODOMMVSY-NGDRWEMDSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103552586 555444418 /nfs/dbraw/zinc/44/44/18/555444418.db2.gz JKWDMNJDUULXKJ-AYQJTBPPSA-N 0 0 586.600 5.928 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000103593322 555453006 /nfs/dbraw/zinc/45/30/06/555453006.db2.gz ICAGEYKBYWPTOE-ZDSURBCBSA-N 0 0 523.062 5.078 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c3ccccc32)cc1 ZINC000103593495 555453074 /nfs/dbraw/zinc/45/30/74/555453074.db2.gz DZIZQFWMJNMLDB-QCRXEWDHSA-N 0 0 524.650 5.020 40 10 KKCBRN CCCOc1c(I)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000103759072 555470845 /nfs/dbraw/zinc/47/08/45/555470845.db2.gz OJVADGIQZWITLF-UHFFFAOYSA-N 0 0 624.475 6.679 40 10 KKCBRN O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103761611 555471745 /nfs/dbraw/zinc/47/17/45/555471745.db2.gz WROXJIWUPMNNDH-UHFFFAOYSA-N 0 0 526.618 5.724 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000103781344 555476197 /nfs/dbraw/zinc/47/61/97/555476197.db2.gz COVLTTKSNRCUTE-KLFFTSSHSA-N 0 0 607.754 7.532 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789767 555479362 /nfs/dbraw/zinc/47/93/62/555479362.db2.gz ZZJLQYPFBRCWFR-SZYVSPPHSA-N 0 0 608.591 6.636 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789932 555479573 /nfs/dbraw/zinc/47/95/73/555479573.db2.gz UWYFUICNIUJEKF-HRDPZVOISA-N 0 0 615.799 6.996 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790037 555479634 /nfs/dbraw/zinc/47/96/34/555479634.db2.gz KDXFLGHNIRIOHG-PYCBVSLESA-N 0 0 597.737 5.116 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790041 555479776 /nfs/dbraw/zinc/47/97/76/555479776.db2.gz KDXFLGHNIRIOHG-JLHDDXNDSA-N 0 0 597.737 5.116 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000103791079 555480548 /nfs/dbraw/zinc/48/05/48/555480548.db2.gz FEHXBCMYLWEELM-OGMUYLFESA-N 0 0 548.111 6.380 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000103791136 555480856 /nfs/dbraw/zinc/48/08/56/555480856.db2.gz GWKYHZJULLBEDO-NBQDTTAVSA-N 0 0 603.660 5.543 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(Br)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000103841932 571362372 /nfs/dbraw/zinc/36/23/72/571362372.db2.gz XMVODOBEEDXMSI-WQRHYEAKSA-N 0 0 560.267 6.170 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000103854717 571365876 /nfs/dbraw/zinc/36/58/76/571365876.db2.gz OPBXCQOZAZHRAG-STZFKDTASA-N 0 0 539.373 5.016 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000103854721 571365882 /nfs/dbraw/zinc/36/58/82/571365882.db2.gz NGMBPUJOLUDKGT-ANYBSYGZSA-N 0 0 558.037 7.473 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000103854992 571365893 /nfs/dbraw/zinc/36/58/93/571365893.db2.gz YFNPQEYHEHGFTE-IMRQLAEWSA-N 0 0 601.444 6.591 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000103854816 571365895 /nfs/dbraw/zinc/36/58/95/571365895.db2.gz LUTFMSUPZJXZPO-MTDXEUNCSA-N 0 0 540.019 6.335 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000103855074 571365906 /nfs/dbraw/zinc/36/59/06/571365906.db2.gz JNJKTPBXQNIUTA-TURZUDJPSA-N 0 0 533.584 5.773 40 10 KKCBRN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000103855032 571365907 /nfs/dbraw/zinc/36/59/07/571365907.db2.gz LMRHWNGMMJBMCB-VUTHCHCSSA-N 0 0 533.584 5.911 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1Br ZINC000103855139 571365926 /nfs/dbraw/zinc/36/59/26/571365926.db2.gz OCYSMRILJDJKNJ-XIEYBQDHSA-N 0 0 554.444 6.748 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855512 571366016 /nfs/dbraw/zinc/36/60/16/571366016.db2.gz APUBNEYICUFQPX-XQNSMLJCSA-N 0 0 538.472 5.655 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000103855349 571366024 /nfs/dbraw/zinc/36/60/24/571366024.db2.gz ZYGZRJFBTFFFJW-DFKUXCBWSA-N 0 0 546.671 6.832 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103857116 571366312 /nfs/dbraw/zinc/36/63/12/571366312.db2.gz HMMNGJQHPGADRQ-UHFFFAOYSA-N 0 0 605.281 5.174 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)cc1 ZINC000103865465 571367999 /nfs/dbraw/zinc/36/79/99/571367999.db2.gz UFTFCSMSNXDQSI-CXABMRDKSA-N 0 0 580.754 5.346 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000103865394 571368009 /nfs/dbraw/zinc/36/80/09/571368009.db2.gz PLEYRCKNYPSOGW-WXKAHTKJSA-N 0 0 602.760 5.907 40 10 KKCBRN Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000103874066 571368372 /nfs/dbraw/zinc/36/83/72/571368372.db2.gz VFEYUZSEBXFYGC-CXUHLZMHSA-N 0 0 596.684 6.584 40 10 KKCBRN CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920581 571369762 /nfs/dbraw/zinc/36/97/62/571369762.db2.gz DRBXVRJQDWWVNR-WMMMYUQOSA-N 0 0 528.681 7.133 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104020269 571371348 /nfs/dbraw/zinc/37/13/48/571371348.db2.gz KORUMJJIFWDHGT-MUPNOLHXSA-N 0 0 557.562 5.409 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000104021802 571371370 /nfs/dbraw/zinc/37/13/70/571371370.db2.gz VYKDXBQNMOASHM-LSMIHOHGSA-N 0 0 561.981 6.053 40 10 KKCBRN O=C(c1ccncc1)n1nc(-c2ccccc2)c(/N=N\c2nc3ccc([N+](=O)[O-])cc3s2)c1-c1ccccc1 ZINC000104237442 571377670 /nfs/dbraw/zinc/37/76/70/571377670.db2.gz UNITWUMZTHLZEX-MVJHLKBCSA-N 0 0 531.557 7.234 40 10 KKCBRN COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1 ZINC000104290561 571378380 /nfs/dbraw/zinc/37/83/80/571378380.db2.gz IHHUUEYEUCMZKT-KNWKATPGSA-N 0 0 545.599 7.319 40 10 KKCBRN CCNc1ccc(/N=N/c2ccc(-c3ccc(/N=N\c4ccc(NCC)c5ccccc45)c(OC)c3)cc2OC)c2ccccc12 ZINC000104366625 571379525 /nfs/dbraw/zinc/37/95/25/571379525.db2.gz YJLOGHHCCZQTBR-XAFSAMPKSA-N 0 0 608.746 11.372 40 10 KKCBRN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000104421602 571380967 /nfs/dbraw/zinc/38/09/67/571380967.db2.gz MDEUMOYZCDPAAQ-GZGVDWRWSA-N 0 0 561.657 7.764 40 10 KKCBRN CN(C)c1ccc([C@@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104465914 571381012 /nfs/dbraw/zinc/38/10/12/571381012.db2.gz UVZZIAKSCXFCIH-YTTGMZPUSA-N 0 0 578.632 6.922 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646281 571381937 /nfs/dbraw/zinc/38/19/37/571381937.db2.gz IKZFVRQVRPNGLD-XKVZAPNPSA-N 0 0 538.669 6.998 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646341 571381958 /nfs/dbraw/zinc/38/19/58/571381958.db2.gz QRBJXYDIUOFJQU-AARCXHMLSA-N 0 0 536.697 7.768 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104646276 571381996 /nfs/dbraw/zinc/38/19/96/571381996.db2.gz IRDWWAQSCOPXGW-XKVZAPNPSA-N 0 0 538.669 6.998 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646304 571382003 /nfs/dbraw/zinc/38/20/03/571382003.db2.gz SHSYFOZBKGUION-WTNLLYQRSA-N 0 0 536.653 6.768 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647489 571382231 /nfs/dbraw/zinc/38/22/31/571382231.db2.gz QFHNDTWXHTXWLP-CLCZQPDDSA-N 0 0 529.489 7.408 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647311 571382238 /nfs/dbraw/zinc/38/22/38/571382238.db2.gz UDQHRBRCMWKTIT-XLNZFTOWSA-N 0 0 516.406 6.529 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647800 571382259 /nfs/dbraw/zinc/38/22/59/571382259.db2.gz KBQCVXBAKOCFRM-ATLLOTDBSA-N 0 0 519.881 7.583 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647779 571382284 /nfs/dbraw/zinc/38/22/84/571382284.db2.gz ZWLLGZKMZXKRGF-CEYNDMKZSA-N 0 0 530.433 6.837 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647837 571382338 /nfs/dbraw/zinc/38/23/38/571382338.db2.gz AEEDUNHNBUQJER-UNVFRBQDSA-N 0 0 559.913 7.047 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648211 571382493 /nfs/dbraw/zinc/38/24/93/571382493.db2.gz VAWCNEIDAUOQEH-GLDPYIMESA-N 0 0 560.857 6.638 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648318 571382519 /nfs/dbraw/zinc/38/25/19/571382519.db2.gz ZVYMBOGQOIZHTJ-LZCXECNNSA-N 0 0 571.493 6.102 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648586 571382660 /nfs/dbraw/zinc/38/26/60/571382660.db2.gz UTVGVKVQZBIJBO-SRGWNRLKSA-N 0 0 573.851 8.293 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c1 ZINC000104648954 571382761 /nfs/dbraw/zinc/38/27/61/571382761.db2.gz WARVVVFLTZLLBE-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648756 571382791 /nfs/dbraw/zinc/38/27/91/571382791.db2.gz TUYYPUKGUCGXQV-OREGWCPLSA-N 0 0 561.069 8.284 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104648906 571382884 /nfs/dbraw/zinc/38/28/84/571382884.db2.gz KLOBHMOLMKSOIU-AARCXHMLSA-N 0 0 597.693 7.200 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104649344 571382955 /nfs/dbraw/zinc/38/29/55/571382955.db2.gz MVLANDVKWOSNRI-FVXXUCQHSA-N 0 0 562.613 8.125 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1OC ZINC000104649654 571383004 /nfs/dbraw/zinc/38/30/04/571383004.db2.gz XECZEPLVXIHALD-ANSQWYIGSA-N 0 0 542.013 5.893 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1OC ZINC000104649705 571383015 /nfs/dbraw/zinc/38/30/15/571383015.db2.gz NZTXXGSDMCJDJT-BALWLHIASA-N 0 0 552.649 5.357 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650460 571383246 /nfs/dbraw/zinc/38/32/46/571383246.db2.gz CWYGSCVOVADTAI-CEYNDMKZSA-N 0 0 529.887 7.038 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650416 571383250 /nfs/dbraw/zinc/38/32/50/571383250.db2.gz ZDDZBKODVOAAOJ-SRGWNRLKSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655424 571383633 /nfs/dbraw/zinc/38/36/33/571383633.db2.gz RTOPUAYVDRNWJN-GSTVVXAASA-N 0 0 578.137 6.388 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655413 571383640 /nfs/dbraw/zinc/38/36/40/571383640.db2.gz JVBPUZCKZHLCBW-SAGCDJCOSA-N 0 0 561.682 5.874 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000104656291 571383849 /nfs/dbraw/zinc/38/38/49/571383849.db2.gz QGISCUDPEFNDOV-ZGOFBEGVSA-N 0 0 621.398 5.910 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc([N+](=O)[O-])cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657344 571384292 /nfs/dbraw/zinc/38/42/92/571384292.db2.gz ZFQDAUYESOYCPT-GSTVVXAASA-N 0 0 588.689 5.643 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657335 571384293 /nfs/dbraw/zinc/38/42/93/571384293.db2.gz JDRRRMJFIMKAGL-LHKANKDISA-N 0 0 619.790 7.402 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000104660866 571385011 /nfs/dbraw/zinc/38/50/11/571385011.db2.gz OYGVZXQUXYEPSZ-UHFFFAOYSA-N 0 0 567.186 5.453 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000104660589 571385013 /nfs/dbraw/zinc/38/50/13/571385013.db2.gz KEGFBRKLWTYAPQ-UHFFFAOYSA-N 0 0 542.209 6.097 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000104660845 571385015 /nfs/dbraw/zinc/38/50/15/571385015.db2.gz STASYWHTUOIVLO-UHFFFAOYSA-N 0 0 522.189 5.544 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000104677200 571385320 /nfs/dbraw/zinc/38/53/20/571385320.db2.gz HOKDBLWFXBQQLR-CMISJSSVSA-N 0 0 596.591 5.530 40 10 KKCBRN Clc1ccc(COc2ccc([C@@H]3Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000104709209 571385648 /nfs/dbraw/zinc/38/56/48/571385648.db2.gz ONMWWPJFAWZGLM-YDZOJQKFSA-N 0 0 522.132 9.213 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303631 571392781 /nfs/dbraw/zinc/39/27/81/571392781.db2.gz VSXMEBPJEFGOON-UHFFFAOYSA-N 0 0 535.409 5.007 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000105498016 571405634 /nfs/dbraw/zinc/40/56/34/571405634.db2.gz WIZTXAPSEUFTEB-HTNWYMAZSA-N 0 0 633.770 5.890 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499722 571406239 /nfs/dbraw/zinc/40/62/39/571406239.db2.gz DKZJVDGMXZVQRB-VWGWLNKZSA-N 0 0 616.787 5.939 40 10 KKCBRN c1nnn(-c2ccc(/N=N/c3ccc(-n4nncc4C45CC6CC(CC(C6)C4)C5)cc3)cc2)c1C12CC3CC(CC(C3)C1)C2 ZINC000105599942 571407805 /nfs/dbraw/zinc/40/78/05/571407805.db2.gz PZGDCLFJNJXVEC-XQQUEIPISA-N 0 0 584.772 8.199 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Oc5ccc(Br)cc5)cc4)C(=O)[C@H]23)cc1 ZINC000105629925 571407956 /nfs/dbraw/zinc/40/79/56/571407956.db2.gz CRWKOHXGSLFECE-KCHLEUMXSA-N 0 0 608.444 6.245 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106688736 571413881 /nfs/dbraw/zinc/41/38/81/571413881.db2.gz WZPZNIAEBLXNCN-ROTLSHHCSA-N 0 0 621.384 7.237 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106689962 571414006 /nfs/dbraw/zinc/41/40/06/571414006.db2.gz AEXFKYQNRXCWHO-ROTLSHHCSA-N 0 0 587.485 6.382 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106700833 571414490 /nfs/dbraw/zinc/41/44/90/571414490.db2.gz FVWIOXPFRAJYDT-UUYOSTAYSA-N 0 0 515.860 7.055 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106711281 571415258 /nfs/dbraw/zinc/41/52/58/571415258.db2.gz SYFBJENMUSSOLQ-XYGWBWBKSA-N 0 0 578.672 5.049 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106714201 571415335 /nfs/dbraw/zinc/41/53/35/571415335.db2.gz YGPIONUBOROKMX-WGARJPEWSA-N 0 0 585.513 7.536 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000106722415 571415907 /nfs/dbraw/zinc/41/59/07/571415907.db2.gz GDDRIWBQSIWLAK-PKAZHMFMSA-N 0 0 543.486 7.760 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106726648 571416460 /nfs/dbraw/zinc/41/64/60/571416460.db2.gz GSHUMKJGCKXURH-UUYOSTAYSA-N 0 0 574.338 7.472 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000106732297 571416524 /nfs/dbraw/zinc/41/65/24/571416524.db2.gz ZXYFSBWYRHIWQF-XKZIYDEJSA-N 0 0 525.424 5.880 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106737158 571416868 /nfs/dbraw/zinc/41/68/68/571416868.db2.gz DKKBHJSIHARTDP-UYOCIXKTSA-N 0 0 534.943 6.732 40 10 KKCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000107873949 571421571 /nfs/dbraw/zinc/42/15/71/571421571.db2.gz CAWYCSFMDUIWKI-JXMROGBWSA-N 0 0 502.354 5.532 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223083350 571429228 /nfs/dbraw/zinc/42/92/28/571429228.db2.gz CJDBSUPSDIZAHB-WDYNHAJCSA-N 0 0 515.727 5.631 40 10 KKCBRN Cc1nc(N(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ccccc43)cc2)c(C)n1N ZINC000110548256 571431573 /nfs/dbraw/zinc/43/15/73/571431573.db2.gz NEUKGUWAROXYFB-FCMQGFHTSA-N 0 0 632.787 6.687 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144418 571435973 /nfs/dbraw/zinc/43/59/73/571435973.db2.gz GGPQYRMVYXAFKC-JWQCQUIFSA-N 0 0 530.525 5.101 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182571 571441690 /nfs/dbraw/zinc/44/16/90/571441690.db2.gz NLOYWONUUXQASI-IZZNHLLZSA-N 0 0 543.659 5.203 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182509 571441710 /nfs/dbraw/zinc/44/17/10/571441710.db2.gz NLOYWONUUXQASI-FTJBHMTQSA-N 0 0 543.659 5.203 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113831007 571442368 /nfs/dbraw/zinc/44/23/68/571442368.db2.gz IPMVXLFJEAOGGI-WSDLNYQXSA-N 0 0 516.471 6.982 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113831707 571442466 /nfs/dbraw/zinc/44/24/66/571442466.db2.gz CSHUFKYVXSKJLX-SRZZPIQSSA-N 0 0 523.960 7.483 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113831114 571442487 /nfs/dbraw/zinc/44/24/87/571442487.db2.gz NLLVWLJGPICPQZ-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113831724 571442529 /nfs/dbraw/zinc/44/25/29/571442529.db2.gz VZNHJLGWEXULLR-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113833995 571442635 /nfs/dbraw/zinc/44/26/35/571442635.db2.gz MIYLZOGHRCLSGM-LPYMAVHISA-N 0 0 523.548 5.496 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000113833675 571442649 /nfs/dbraw/zinc/44/26/49/571442649.db2.gz MPNSWYOBMJZNLL-CVKSISIWSA-N 0 0 528.611 6.741 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000113838768 571442874 /nfs/dbraw/zinc/44/28/74/571442874.db2.gz PTVRJPIRSQOCRT-ZMOGYAJESA-N 0 0 525.482 7.411 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190456 571442938 /nfs/dbraw/zinc/44/29/38/571442938.db2.gz OMUIZGXYKPVGGC-KAYWLYCHSA-N 0 0 524.134 5.146 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000138876373 571452274 /nfs/dbraw/zinc/45/22/74/571452274.db2.gz BZAAELZKXQFYKY-UHFFFAOYSA-N 0 0 551.426 7.230 40 10 KKCBRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)s1 ZINC000139039773 571452903 /nfs/dbraw/zinc/45/29/03/571452903.db2.gz CTAZDYSTGVMZBN-UHFFFAOYSA-N 0 0 504.568 5.083 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)C1=C(Nc1ccccc1NC(=C1C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150341671 571458273 /nfs/dbraw/zinc/45/82/73/571458273.db2.gz TXHLJCXRAUZUEQ-JXPYRENWSA-N 0 0 660.872 9.780 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000150343870 571459124 /nfs/dbraw/zinc/45/91/24/571459124.db2.gz QFPBLVCSNNNCBS-CRCYZHLCSA-N 0 0 637.543 5.119 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312006 571459165 /nfs/dbraw/zinc/45/91/65/571459165.db2.gz SEZHOYUJKJCKBY-VCTRFXNDSA-N 0 0 503.716 5.487 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(F)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150351958 571462371 /nfs/dbraw/zinc/46/23/71/571462371.db2.gz TWZULRLTBGOYKM-UOVKPGFYSA-N 0 0 656.135 5.864 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Br ZINC000223346308 571463788 /nfs/dbraw/zinc/46/37/88/571463788.db2.gz SCEPTZGJQSJHAJ-BJKOFHAPSA-N 0 0 507.457 6.017 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150364114 571464421 /nfs/dbraw/zinc/46/44/21/571464421.db2.gz FUEZXSHLLPXRQR-UHFFFAOYSA-N 0 0 694.525 8.006 40 10 KKCBRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000150365823 571464668 /nfs/dbraw/zinc/46/46/68/571464668.db2.gz LRKLDIYQQGJAQN-GSTVVXAASA-N 0 0 669.588 6.339 40 10 KKCBRN Brc1cc(Br)c(/N=N/c2c(Br)cc(Br)cc2Br)c(Br)c1 ZINC000150366016 571464737 /nfs/dbraw/zinc/46/47/37/571464737.db2.gz KJKRSCLLAYRBIS-FMQUCBEESA-N 0 0 655.602 8.677 40 10 KKCBRN O=C(NCCc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1 ZINC000150382534 571467287 /nfs/dbraw/zinc/46/72/87/571467287.db2.gz IADVAQGLXRSNCH-DVQJGIKISA-N 0 0 649.781 5.578 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000223385451 571469420 /nfs/dbraw/zinc/46/94/20/571469420.db2.gz FFLLONFDMLJHDC-UIOOFZCWSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223388231 571469728 /nfs/dbraw/zinc/46/97/28/571469728.db2.gz FOYAKFPRTJYTML-IZZNHLLZSA-N 0 0 507.490 6.969 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223388416 571469882 /nfs/dbraw/zinc/46/98/82/571469882.db2.gz CFUGEUHNSXIRKR-FTJBHMTQSA-N 0 0 507.490 6.969 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000150387722 571470275 /nfs/dbraw/zinc/47/02/75/571470275.db2.gz DIXPAOHLSUYECB-RGVLZGJSSA-N 0 0 630.210 8.503 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150390830 571473082 /nfs/dbraw/zinc/47/30/82/571473082.db2.gz OOXGRXAWWXOZAM-ASZNLBCTSA-N 0 0 805.476 5.653 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223421121 571474012 /nfs/dbraw/zinc/47/40/12/571474012.db2.gz IJWCHPRHNUZILO-RRPNLBNLSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223424905 571474606 /nfs/dbraw/zinc/47/46/06/571474606.db2.gz QEMVUWAPBSVMJN-KAYWLYCHSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223426896 571474920 /nfs/dbraw/zinc/47/49/20/571474920.db2.gz QPOCNPCCIUFCNQ-VSGBNLITSA-N 0 0 543.649 5.587 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223427413 571475075 /nfs/dbraw/zinc/47/50/75/571475075.db2.gz LCCMGAASTOIIPW-VSGBNLITSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223428000 571475079 /nfs/dbraw/zinc/47/50/79/571475079.db2.gz MCXLUXOAAFMJSF-NSOVKSMOSA-N 0 0 543.649 5.587 40 10 KKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Sc2ccc(NC=C3C(C)=NN(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000150398275 571477279 /nfs/dbraw/zinc/47/72/79/571477279.db2.gz CXMBIQZYJYQRJO-JTOYJDTJSA-N 0 0 640.813 8.508 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223445093 571477610 /nfs/dbraw/zinc/47/76/10/571477610.db2.gz JZDFJTGJCOOBNS-WUFINQPMSA-N 0 0 526.662 5.457 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223444889 571477671 /nfs/dbraw/zinc/47/76/71/571477671.db2.gz WQWAKERBEVUMAK-NSOVKSMOSA-N 0 0 526.662 5.457 40 10 KKCBRN CC[C@@H](C)NC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)N[C@@H](C)CC)cc4)C3=O)SC2=S)cc1 ZINC000150399491 571477698 /nfs/dbraw/zinc/47/76/98/571477698.db2.gz FTMKWSMQJIEZHS-OCAPCMCTSA-N 0 0 640.878 5.242 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)c1 ZINC000223444570 571477706 /nfs/dbraw/zinc/47/77/06/571477706.db2.gz QTKUBTJTEWFZQE-WUFINQPMSA-N 0 0 526.662 5.457 40 10 KKCBRN COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404980 571479262 /nfs/dbraw/zinc/47/92/62/571479262.db2.gz WAXKDOZZYGIANY-LQFQNGICSA-N 0 0 718.756 5.103 40 10 KKCBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405390 571479289 /nfs/dbraw/zinc/47/92/89/571479289.db2.gz IDWOJIMHTRKKLT-TYHGNQNSSA-N 0 0 658.704 5.086 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Br ZINC000223461276 571480108 /nfs/dbraw/zinc/48/01/08/571480108.db2.gz UWUSSHCWHCKSHE-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224123509 571480685 /nfs/dbraw/zinc/48/06/85/571480685.db2.gz OBNBZSSLZQAVTP-MIJNXXRQSA-N 0 0 620.650 8.161 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)cc3)cc2)cc1 ZINC000150408510 571480857 /nfs/dbraw/zinc/48/08/57/571480857.db2.gz JWVQBAMQGDPRDA-BILXIUEVSA-N 0 0 764.798 11.460 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224126792 571481469 /nfs/dbraw/zinc/48/14/69/571481469.db2.gz PDZBXFLVLLLCGC-UZAVEENQSA-N 0 0 620.266 8.955 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467191 571481554 /nfs/dbraw/zinc/48/15/54/571481554.db2.gz FSEAHYSGLKGUIV-CLJLJLNGSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224128110 571482029 /nfs/dbraw/zinc/48/20/29/571482029.db2.gz GRNXKFBMLKYBIE-RUIKBKNUSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224128835 571482195 /nfs/dbraw/zinc/48/21/95/571482195.db2.gz QLSQHPRVRUCENB-WTEHXLFCSA-N 0 0 588.196 7.941 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000150409881 571482208 /nfs/dbraw/zinc/48/22/08/571482208.db2.gz RGTDIZVPTPXQQV-OCEACIFDSA-N 0 0 745.748 7.902 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224129959 571482321 /nfs/dbraw/zinc/48/23/21/571482321.db2.gz NVTHBBPSQMGXMW-CKUCSLQLSA-N 0 0 649.102 8.564 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000150409964 571482327 /nfs/dbraw/zinc/48/23/27/571482327.db2.gz WYAIFJZIZLURQD-FMQUCBEESA-N 0 0 661.586 5.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224130013 571482358 /nfs/dbraw/zinc/48/23/58/571482358.db2.gz NVTHBBPSQMGXMW-WTEHXLFCSA-N 0 0 649.102 8.564 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224130553 571482514 /nfs/dbraw/zinc/48/25/14/571482514.db2.gz CTRLHHSOFRMSMV-CKUCSLQLSA-N 0 0 586.205 7.508 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)SC1=S)Nc1cccc(I)c1 ZINC000150410389 571482765 /nfs/dbraw/zinc/48/27/65/571482765.db2.gz NJQBHXVLVBEPLS-FMQUCBEESA-N 0 0 808.508 5.185 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132677 571482954 /nfs/dbraw/zinc/48/29/54/571482954.db2.gz YBXRWHFILGLTIN-DXXCPFJCSA-N 0 0 641.329 8.648 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224133464 571483137 /nfs/dbraw/zinc/48/31/37/571483137.db2.gz WMBQEASUZVILEW-WADAGNOZSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224133968 571483226 /nfs/dbraw/zinc/48/32/26/571483226.db2.gz RZVXVCQKYSKXCS-JEIUOXFESA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224134348 571483484 /nfs/dbraw/zinc/48/34/84/571483484.db2.gz QWIUANXHIXVRDZ-GEASHOLQSA-N 0 0 612.287 8.727 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224135078 571483665 /nfs/dbraw/zinc/48/36/65/571483665.db2.gz IVCDCTNRRCANGH-ZZBMHTCRSA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224136491 571483905 /nfs/dbraw/zinc/48/39/05/571483905.db2.gz QJQCGTXIIPNJCW-ITLLMBSPSA-N 0 0 585.221 7.505 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000224148258 571486356 /nfs/dbraw/zinc/48/63/56/571486356.db2.gz DKIWENXQQRHBJV-MPLPQHJPSA-N 0 0 586.205 7.502 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503540 571488483 /nfs/dbraw/zinc/48/84/83/571488483.db2.gz QBKMONYYFGLAMQ-FTJBHMTQSA-N 0 0 504.059 5.719 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150423092 571488580 /nfs/dbraw/zinc/48/85/80/571488580.db2.gz WETGWHWCPPJLGF-NDZAJKAJSA-N 0 0 742.997 8.967 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150423086 571488587 /nfs/dbraw/zinc/48/85/87/571488587.db2.gz ZVWCKZMIFGNYCJ-NDZAJKAJSA-N 0 0 742.997 8.967 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000150424805 571489333 /nfs/dbraw/zinc/48/93/33/571489333.db2.gz GUSPUCONLHNMPG-TWKHWXDSSA-N 0 0 661.552 8.472 40 10 KKCBRN CC(C)Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4nnc(CC(C)C)s4)C3=O)SC2=S)s1 ZINC000150426290 571490618 /nfs/dbraw/zinc/49/06/18/571490618.db2.gz JXOWNXCMPXXOIL-WCWDXBQESA-N 0 0 769.104 6.417 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223520109 571492627 /nfs/dbraw/zinc/49/26/27/571492627.db2.gz ZOVKUPWNFPGFNL-CFRMEGHHSA-N 0 0 524.086 6.734 40 10 KKCBRN CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000150433854 571494708 /nfs/dbraw/zinc/49/47/08/571494708.db2.gz UYHFLFYRGWPHRD-AREMUKBSSA-N 0 0 635.547 5.984 40 10 KKCBRN Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000150436444 571496263 /nfs/dbraw/zinc/49/62/63/571496263.db2.gz KSMYVAKVAZDEJY-BYYHNAKLSA-N 0 0 668.932 6.934 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150437020 571496611 /nfs/dbraw/zinc/49/66/11/571496611.db2.gz PIPBTMKKOLXUHA-ZDLGFXPLSA-N 0 0 681.697 8.028 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223534566 571496704 /nfs/dbraw/zinc/49/67/04/571496704.db2.gz LBOLHCYQYMDXDS-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223534623 571496713 /nfs/dbraw/zinc/49/67/13/571496713.db2.gz LBOLHCYQYMDXDS-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Br)c1 ZINC000223536948 571497232 /nfs/dbraw/zinc/49/72/32/571497232.db2.gz AUKOHSBOQBDIEU-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Br)c1 ZINC000223536998 571497252 /nfs/dbraw/zinc/49/72/52/571497252.db2.gz AUKOHSBOQBDIEU-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223540315 571497949 /nfs/dbraw/zinc/49/79/49/571497949.db2.gz MCRZYIGSJNOCEM-GLFIFPSUSA-N 0 0 542.499 6.236 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539606 571497951 /nfs/dbraw/zinc/49/79/51/571497951.db2.gz HFFXAPMZLFBBNN-VMPREFPWSA-N 0 0 510.711 5.903 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)cc1 ZINC000223540595 571498141 /nfs/dbraw/zinc/49/81/41/571498141.db2.gz RTIFMUAWMCPFTN-XHFXOGKZSA-N 0 0 507.656 5.872 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000150444753 571499912 /nfs/dbraw/zinc/49/99/12/571499912.db2.gz NZLBEFVLDSBGES-OCEACIFDSA-N 0 0 751.000 6.071 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000224222187 571500249 /nfs/dbraw/zinc/50/02/49/571500249.db2.gz LZRWXJJRUHTNAC-UHFFFAOYSA-N 0 0 508.618 5.912 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)SC1=S)N1CCCc2ccccc21 ZINC000150449592 571502271 /nfs/dbraw/zinc/50/22/71/571502271.db2.gz XNPNMIKDNDXYBP-QNEJGDQOSA-N 0 0 721.008 6.998 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000224235819 571503500 /nfs/dbraw/zinc/50/35/00/571503500.db2.gz VJIWNGBJQXGGQX-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224236147 571503528 /nfs/dbraw/zinc/50/35/28/571503528.db2.gz WQBAHWQHGVRJSS-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c(C)c1 ZINC000223567487 571503615 /nfs/dbraw/zinc/50/36/15/571503615.db2.gz FOMXCBYVEWUROE-FQOPDIHJSA-N 0 0 505.684 6.479 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000150454831 571504152 /nfs/dbraw/zinc/50/41/52/571504152.db2.gz WYFHUBCFEZAVLO-HSHLGJIGSA-N 0 0 648.720 7.348 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586181 571508207 /nfs/dbraw/zinc/50/82/07/571508207.db2.gz KVKWCAMRKWVHJG-FQOPDIHJSA-N 0 0 505.684 6.399 40 10 KKCBRN CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(CC)Cc3ccccc3)C2=O)SC1=S ZINC000150469478 571508701 /nfs/dbraw/zinc/50/87/01/571508701.db2.gz SNSMQIMWMTXDBD-QNEJGDQOSA-N 0 0 725.040 7.137 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000150469980 571508936 /nfs/dbraw/zinc/50/89/36/571508936.db2.gz GIMXZCBEQJBLHI-OCEACIFDSA-N 0 0 778.658 8.930 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000150469868 571509016 /nfs/dbraw/zinc/50/90/16/571509016.db2.gz ZDZLJVYWSQYNSY-ULDVOPSXSA-N 0 0 765.020 7.946 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224268358 571510087 /nfs/dbraw/zinc/51/00/87/571510087.db2.gz QXDDNUORJRUCEO-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270634 571510639 /nfs/dbraw/zinc/51/06/39/571510639.db2.gz DNIBDQDXNIBNNN-JSOSNVBQSA-N 0 0 523.750 7.129 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224272508 571511003 /nfs/dbraw/zinc/51/10/03/571511003.db2.gz YXNLIEXJFANJOT-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224272916 571511152 /nfs/dbraw/zinc/51/11/52/571511152.db2.gz CKPAWFLBHGZIFG-WUFINQPMSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224272786 571511175 /nfs/dbraw/zinc/51/11/75/571511175.db2.gz RKFMWACOEMCBOV-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000150481043 571512233 /nfs/dbraw/zinc/51/22/33/571512233.db2.gz DJGMEGUJKSPTNK-VUTHCHCSSA-N 0 0 647.525 8.082 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150481151 571512443 /nfs/dbraw/zinc/51/24/43/571512443.db2.gz HWEGKBFQPXZZOU-MTDXEUNCSA-N 0 0 728.970 8.577 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000223615591 571514530 /nfs/dbraw/zinc/51/45/30/571514530.db2.gz YGOSSHLTTNABSZ-FQOPDIHJSA-N 0 0 505.684 6.479 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223616127 571514655 /nfs/dbraw/zinc/51/46/55/571514655.db2.gz DXFBQSLKCWULQJ-WTZXFZKGSA-N 0 0 526.102 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224302124 571517285 /nfs/dbraw/zinc/51/72/85/571517285.db2.gz IBOMNHNSYUOVLL-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000224333371 571523956 /nfs/dbraw/zinc/52/39/56/571523956.db2.gz WSUSQBYYXOENOS-FIRIVFDPSA-N 0 0 502.687 7.382 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000224334576 571524319 /nfs/dbraw/zinc/52/43/19/571524319.db2.gz RNKHXVWHYWAPII-SXOMAYOGSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000224336636 571524901 /nfs/dbraw/zinc/52/49/01/571524901.db2.gz FYVNGLVGTLLWBC-SVBPBHIXSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000224340024 571525686 /nfs/dbraw/zinc/52/56/86/571525686.db2.gz HSPUGRGXFRWMTL-NSOVKSMOSA-N 0 0 501.099 7.190 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000224340198 571525854 /nfs/dbraw/zinc/52/58/54/571525854.db2.gz FFQWTZKGWJOVNL-NSOVKSMOSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000224340678 571525864 /nfs/dbraw/zinc/52/58/64/571525864.db2.gz WDVVMDFLWFMBMF-WUFINQPMSA-N 0 0 501.099 7.190 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223691983 571527917 /nfs/dbraw/zinc/52/79/17/571527917.db2.gz RLYNPLHBZBUQHV-PKTZIBPZSA-N 0 0 503.455 5.332 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N3N=C4/C(=C\c5ccc(OC)cc5)CCC[C@@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000150683673 571529026 /nfs/dbraw/zinc/52/90/26/571529026.db2.gz MWOAEBXAHIEWJU-VCGDGJPLSA-N 0 0 697.835 6.280 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224362140 571530158 /nfs/dbraw/zinc/53/01/58/571530158.db2.gz ADVHZMKUBSRIBB-IZLXSDGUSA-N 0 0 517.098 7.149 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224362225 571530305 /nfs/dbraw/zinc/53/03/05/571530305.db2.gz ADVHZMKUBSRIBB-NSOVKSMOSA-N 0 0 517.098 7.149 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000224367725 571531270 /nfs/dbraw/zinc/53/12/70/571531270.db2.gz GBDQZJGKSJEZRQ-NSOVKSMOSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000224368280 571531302 /nfs/dbraw/zinc/53/13/02/571531302.db2.gz BLIBYMPWUMVYBL-WUFINQPMSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224368635 571531475 /nfs/dbraw/zinc/53/14/75/571531475.db2.gz RCEVOQVEOKTYBR-IZLXSDGUSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224370155 571531756 /nfs/dbraw/zinc/53/17/56/571531756.db2.gz AZKMXIQFWQGBCU-LOYHVIPDSA-N 0 0 509.723 6.856 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224370586 571531859 /nfs/dbraw/zinc/53/18/59/571531859.db2.gz UNCCRTPTAYQOFD-IZLXSDGUSA-N 0 0 535.544 8.096 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224370719 571531903 /nfs/dbraw/zinc/53/19/03/571531903.db2.gz BIWWTMQJOSWUAY-VSGBNLITSA-N 0 0 535.544 8.096 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373432 571532537 /nfs/dbraw/zinc/53/25/37/571532537.db2.gz LQWDOXCEUKQFFA-IGYGKHONSA-N 0 0 508.735 7.660 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373293 571532578 /nfs/dbraw/zinc/53/25/78/571532578.db2.gz QYRTZUJQXFFYGO-VMPREFPWSA-N 0 0 541.677 6.706 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(I)cc1 ZINC000163302912 571535158 /nfs/dbraw/zinc/53/51/58/571535158.db2.gz HHSDSLMLVJGEMK-ASUJOLEISA-N 0 0 639.562 6.331 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000163459820 571535694 /nfs/dbraw/zinc/53/56/94/571535694.db2.gz QNHIFVBFSQCCSF-WOSHRIRTSA-N 0 0 646.651 6.872 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224389810 571536191 /nfs/dbraw/zinc/53/61/91/571536191.db2.gz DCURVPQAQRHMEO-LOSJGSFVSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000163571051 571536805 /nfs/dbraw/zinc/53/68/05/571536805.db2.gz XTFFLJMODMUEME-AMQCUNCASA-N 0 0 655.651 7.712 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223747929 571537327 /nfs/dbraw/zinc/53/73/27/571537327.db2.gz BTGSTVHTRLMMMP-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223748044 571537348 /nfs/dbraw/zinc/53/73/48/571537348.db2.gz RTCGVQHIWHJAFR-IHLOFXLRSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223749165 571537610 /nfs/dbraw/zinc/53/76/10/571537610.db2.gz XQPXAQXXBFNCHK-FTJBHMTQSA-N 0 0 505.087 6.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224402798 571538531 /nfs/dbraw/zinc/53/85/31/571538531.db2.gz KLYVVQJTDYVMCV-RPBOFIJWSA-N 0 0 511.453 7.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224402644 571538553 /nfs/dbraw/zinc/53/85/53/571538553.db2.gz POTAQSPFSADLOZ-LOSJGSFVSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223756567 571538985 /nfs/dbraw/zinc/53/89/85/571538985.db2.gz NTDOTXMLILXJPP-LOYHVIPDSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405226 571539058 /nfs/dbraw/zinc/53/90/58/571539058.db2.gz NMGVMHZKFYXCFJ-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405270 571539130 /nfs/dbraw/zinc/53/91/30/571539130.db2.gz NMGVMHZKFYXCFJ-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763121 571540011 /nfs/dbraw/zinc/54/00/11/571540011.db2.gz ULHBZEPINZQVSJ-IHLOFXLRSA-N 0 0 525.722 6.521 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163684696 571540260 /nfs/dbraw/zinc/54/02/60/571540260.db2.gz ZLLFZUFJSDKWKY-RISWYLRJSA-N 0 0 657.961 5.464 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223765646 571540472 /nfs/dbraw/zinc/54/04/72/571540472.db2.gz RCNPFXPDZWVDGS-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223765991 571540584 /nfs/dbraw/zinc/54/05/84/571540584.db2.gz VIOKFMPZAQFTCI-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163720145 571541664 /nfs/dbraw/zinc/54/16/64/571541664.db2.gz TYLXJLCYGJTTPA-PKYOQBLNSA-N 0 0 677.577 5.114 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163720520 571541674 /nfs/dbraw/zinc/54/16/74/571541674.db2.gz QNDAQMSKAMDHEP-DQARITGZSA-N 0 0 780.366 7.275 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163726370 571541828 /nfs/dbraw/zinc/54/18/28/571541828.db2.gz SFBFIYPZVVQXCN-HYRGFNLMSA-N 0 0 709.828 6.897 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224421580 571542786 /nfs/dbraw/zinc/54/27/86/571542786.db2.gz BXGLUNYHBSLVET-WDYNHAJCSA-N 0 0 527.669 5.642 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223781342 571543250 /nfs/dbraw/zinc/54/32/50/571543250.db2.gz YBSLRWVVCFBSAV-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000164005702 571544124 /nfs/dbraw/zinc/54/41/24/571544124.db2.gz SYCNOBSKDYSVEB-UQDCTOEPSA-N 0 0 839.921 6.306 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000164192902 571544865 /nfs/dbraw/zinc/54/48/65/571544865.db2.gz UBEHQBBLGWRYMA-OBDCIHEFSA-N 0 0 711.622 5.608 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Br ZINC000224433495 571544879 /nfs/dbraw/zinc/54/48/79/571544879.db2.gz MMGNCDZWWPXFHG-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Br ZINC000224433579 571544939 /nfs/dbraw/zinc/54/49/39/571544939.db2.gz MMGNCDZWWPXFHG-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000224435734 571545283 /nfs/dbraw/zinc/54/52/83/571545283.db2.gz IRSBLWNVFUNMFY-LOSJGSFVSA-N 0 0 511.453 7.112 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435492 571545295 /nfs/dbraw/zinc/54/52/95/571545295.db2.gz NDRBXWQWZUGREW-FQLXRVMXSA-N 0 0 513.686 6.652 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224437395 571545800 /nfs/dbraw/zinc/54/58/00/571545800.db2.gz VJIVSXDRUQKERU-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223801884 571546624 /nfs/dbraw/zinc/54/66/24/571546624.db2.gz VZCIHNVEZDQWSX-RRPNLBNLSA-N 0 0 537.516 7.372 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000164422587 571547506 /nfs/dbraw/zinc/54/75/06/571547506.db2.gz SJQYWGHGECYCME-CKWSZQMZSA-N 0 0 634.135 9.357 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224450815 571549004 /nfs/dbraw/zinc/54/90/04/571549004.db2.gz PJMHQUCHPSLLNT-IZZNHLLZSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)c3ccccc3I)C(C)(C)C2=S)S1 ZINC000164629069 571550118 /nfs/dbraw/zinc/55/01/18/571550118.db2.gz RTCMJXQDGLIHPY-UHFFFAOYSA-N 0 0 667.568 5.815 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)c(OCc2ccccc2)c1 ZINC000164571969 571550259 /nfs/dbraw/zinc/55/02/59/571550259.db2.gz NHOHTFAKFGXAQS-ATCUAFMPSA-N 0 0 686.878 6.925 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164806528 571551056 /nfs/dbraw/zinc/55/10/56/571551056.db2.gz DIVNZJLFHSKNQJ-UHFFFAOYSA-N 0 0 713.355 8.159 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164804888 571551113 /nfs/dbraw/zinc/55/11/13/571551113.db2.gz AYQGLKHXBUBBMJ-UHFFFAOYSA-N 0 0 652.328 7.927 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224466799 571552518 /nfs/dbraw/zinc/55/25/18/571552518.db2.gz ZQGALMHYPJGZRQ-RRPNLBNLSA-N 0 0 502.087 6.386 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466900 571552703 /nfs/dbraw/zinc/55/27/03/571552703.db2.gz JJXWZXSJKKDHBV-FQLXRVMXSA-N 0 0 530.141 7.166 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224467189 571552768 /nfs/dbraw/zinc/55/27/68/571552768.db2.gz VDXGERHTLXLNIO-DQEYMECFSA-N 0 0 527.908 7.626 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469186 571553137 /nfs/dbraw/zinc/55/31/37/571553137.db2.gz TWROYSRQMMRLDM-CLJLJLNGSA-N 0 0 534.041 6.236 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224469477 571553300 /nfs/dbraw/zinc/55/33/00/571553300.db2.gz JFXHDUBHDBPFCL-UIOOFZCWSA-N 0 0 534.041 6.236 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224481809 571556279 /nfs/dbraw/zinc/55/62/79/571556279.db2.gz LXXBCCCLOBSYOC-IZZNHLLZSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223822132 571556357 /nfs/dbraw/zinc/55/63/57/571556357.db2.gz YGFLVBDPTQNTGS-MFMCTBQISA-N 0 0 510.707 6.990 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223822377 571556387 /nfs/dbraw/zinc/55/63/87/571556387.db2.gz ONJWIGLADNVUOS-WUFINQPMSA-N 0 0 517.098 7.027 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224485159 571557213 /nfs/dbraw/zinc/55/72/13/571557213.db2.gz OULIMURSTVLGLL-JWQCQUIFSA-N 0 0 571.466 7.448 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169685052 571558308 /nfs/dbraw/zinc/55/83/08/571558308.db2.gz LICBSFIRLFZRKJ-NJDAHSKKSA-N 0 0 560.311 5.707 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C ZINC000224493936 571559619 /nfs/dbraw/zinc/55/96/19/571559619.db2.gz ADKSWPDGXSLKMD-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000223840054 571559737 /nfs/dbraw/zinc/55/97/37/571559737.db2.gz PURVCDPHEKPBEZ-IZLXSDGUSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224494370 571559746 /nfs/dbraw/zinc/55/97/46/571559746.db2.gz DFQWNOFQRFEFFB-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000223839850 571559771 /nfs/dbraw/zinc/55/97/71/571559771.db2.gz XJFKVVIMXZPWKN-WUFINQPMSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224495480 571559935 /nfs/dbraw/zinc/55/99/35/571559935.db2.gz ZEWYHOKPSNLAKN-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224496727 571560324 /nfs/dbraw/zinc/56/03/24/571560324.db2.gz KZCJDFZCZUEVPH-RPBOFIJWSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1O ZINC000224496982 571560512 /nfs/dbraw/zinc/56/05/12/571560512.db2.gz PXYMLGVVRPUHID-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224497410 571560628 /nfs/dbraw/zinc/56/06/28/571560628.db2.gz MEJRCWYUYYTDEP-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224499392 571561166 /nfs/dbraw/zinc/56/11/66/571561166.db2.gz ANHLIUINDLQOQM-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223860990 571563434 /nfs/dbraw/zinc/56/34/34/571563434.db2.gz NOXBIXKNWGTMAC-FQLXRVMXSA-N 0 0 511.695 6.218 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223861625 571563572 /nfs/dbraw/zinc/56/35/72/571563572.db2.gz BCQSWROWXNUGHF-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224520768 571565561 /nfs/dbraw/zinc/56/55/61/571565561.db2.gz ITRRYIAPYFTOFX-IHLOFXLRSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224530322 571567314 /nfs/dbraw/zinc/56/73/14/571567314.db2.gz SNWUPINSVFMTQO-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223884937 571568018 /nfs/dbraw/zinc/56/80/18/571568018.db2.gz OFHROQBJPJCVPW-FIRIVFDPSA-N 0 0 552.748 5.569 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223893042 571569451 /nfs/dbraw/zinc/56/94/51/571569451.db2.gz UXRXNWMZHCETRN-JSOSNVBQSA-N 0 0 517.702 6.885 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223892997 571569481 /nfs/dbraw/zinc/56/94/81/571569481.db2.gz UXRXNWMZHCETRN-FIRIVFDPSA-N 0 0 517.702 6.885 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000223896724 571570189 /nfs/dbraw/zinc/57/01/89/571570189.db2.gz MJJUFQNGPPPMRS-RRPNLBNLSA-N 0 0 546.538 6.495 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000205782939 571571095 /nfs/dbraw/zinc/57/10/95/571571095.db2.gz ASAIHDOUVFMNES-OEAKJJBVSA-N 0 0 537.619 5.753 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902842 571571569 /nfs/dbraw/zinc/57/15/69/571571569.db2.gz ZPVLBOZFYMGSMY-PQHLKRTFSA-N 0 0 509.723 6.603 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224551584 571572756 /nfs/dbraw/zinc/57/27/56/571572756.db2.gz BUGNJSZRCKZKIN-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000206293451 571572764 /nfs/dbraw/zinc/57/27/64/571572764.db2.gz LWEAUJGVAMNJDO-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000206909656 571573065 /nfs/dbraw/zinc/57/30/65/571573065.db2.gz PPIOUPRYMTYMHO-LPYMAVHISA-N 0 0 638.392 7.280 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000206938261 571573081 /nfs/dbraw/zinc/57/30/81/571573081.db2.gz PZHIFDNHEQUKKC-NVNXTCNLSA-N 0 0 515.248 5.288 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000207499046 571573214 /nfs/dbraw/zinc/57/32/14/571573214.db2.gz HDIPLJFYRQXIHM-NULZLWRNSA-N 0 0 539.701 5.131 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(Nc4ccc(Br)cc4)=NC3=O)cc21 ZINC000208243981 571573541 /nfs/dbraw/zinc/57/35/41/571573541.db2.gz MTKFGARYUCWCQB-CFFVULROSA-N 0 0 504.881 6.907 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(Nc4ccc(Br)cc4)=NC3=O)cc21 ZINC000208244023 571573645 /nfs/dbraw/zinc/57/36/45/571573645.db2.gz MTKFGARYUCWCQB-NLLJVSSUSA-N 0 0 504.881 6.907 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c(C)c1 ZINC000208256654 571573649 /nfs/dbraw/zinc/57/36/49/571573649.db2.gz LDJBOQJPRUBQCF-CMBCABCVSA-N 0 0 512.075 6.354 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208256409 571573691 /nfs/dbraw/zinc/57/36/91/571573691.db2.gz ARBRHYXHNCXIQX-LKEIMFIWSA-N 0 0 562.917 6.500 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)cc1 ZINC000208321458 571573876 /nfs/dbraw/zinc/57/38/76/571573876.db2.gz RTIFMUAWMCPFTN-BEXDPUPVSA-N 0 0 507.656 5.872 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208654187 571574844 /nfs/dbraw/zinc/57/48/44/571574844.db2.gz SJHXLWJJUNYKGQ-JAIQZWGSSA-N 0 0 613.755 7.989 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000208661533 571574851 /nfs/dbraw/zinc/57/48/51/571574851.db2.gz JCTHYECNPIKROC-XKZIYDEJSA-N 0 0 607.466 6.432 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000208672020 571574957 /nfs/dbraw/zinc/57/49/57/571574957.db2.gz IWGOFOOEYYKCBA-QRVIBDJDSA-N 0 0 506.008 6.657 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223917401 571575015 /nfs/dbraw/zinc/57/50/15/571575015.db2.gz BUWWUVHXGKFKEF-VSGBNLITSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208711318 571575075 /nfs/dbraw/zinc/57/50/75/571575075.db2.gz IUAWUXZLLZDPAK-NKVSQWTQSA-N 0 0 615.785 8.403 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208713763 571575084 /nfs/dbraw/zinc/57/50/84/571575084.db2.gz ZPFGZKDYCZWZMS-UUYOSTAYSA-N 0 0 530.986 6.381 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccccc1F ZINC000208730679 571575089 /nfs/dbraw/zinc/57/50/89/571575089.db2.gz HGWLEKHZWRBBQK-ZDLGFXPLSA-N 0 0 505.346 6.162 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223921622 571575698 /nfs/dbraw/zinc/57/56/98/571575698.db2.gz FFFMPENVIFEAON-JHOUSYSJSA-N 0 0 594.785 5.339 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223921481 571575809 /nfs/dbraw/zinc/57/58/09/571575809.db2.gz VHHYFEKTHUBQIA-VMPREFPWSA-N 0 0 577.676 6.522 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000224567599 571576361 /nfs/dbraw/zinc/57/63/61/571576361.db2.gz JZRRDMPPMPCIAN-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000224570137 571576930 /nfs/dbraw/zinc/57/69/30/571576930.db2.gz KIDMXCWUPLFYBD-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000224571817 571577376 /nfs/dbraw/zinc/57/73/76/571577376.db2.gz NJSIFIFPJRYGIJ-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000224573173 571577810 /nfs/dbraw/zinc/57/78/10/571577810.db2.gz YXWCGMBRECFGJB-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223932391 571577969 /nfs/dbraw/zinc/57/79/69/571577969.db2.gz RVCDWZMTPKMVNQ-IOWSJCHKSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223932140 571577981 /nfs/dbraw/zinc/57/79/81/571577981.db2.gz LHUOBKIDDGGFMB-URLMMPGGSA-N 0 0 577.676 6.522 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F ZINC000223932935 571578177 /nfs/dbraw/zinc/57/81/77/571578177.db2.gz VSRYPKJFSZRWGZ-VMPREFPWSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223937278 571578958 /nfs/dbraw/zinc/57/89/58/571578958.db2.gz DBKOHXVEORXVPR-URLMMPGGSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223937230 571578972 /nfs/dbraw/zinc/57/89/72/571578972.db2.gz DBKOHXVEORXVPR-WDYNHAJCSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000223938078 571579146 /nfs/dbraw/zinc/57/91/46/571579146.db2.gz LHLDCLZMUHIPMR-CONSDPRKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000223938163 571579322 /nfs/dbraw/zinc/57/93/22/571579322.db2.gz RRGDFSWGTRSWIM-BVRKHOPBSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000223938343 571579347 /nfs/dbraw/zinc/57/93/47/571579347.db2.gz RRGDFSWGTRSWIM-SMCANUKXSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223938489 571579349 /nfs/dbraw/zinc/57/93/49/571579349.db2.gz UMQKAUPPLBCECB-JSOSNVBQSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223939075 571579454 /nfs/dbraw/zinc/57/94/54/571579454.db2.gz ODJDBXKFFMDPPI-CDZUIXILSA-N 0 0 551.760 6.428 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223939207 571579502 /nfs/dbraw/zinc/57/95/02/571579502.db2.gz FQKLQSMMQXSRHL-IHLOFXLRSA-N 0 0 558.151 6.465 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223939888 571579653 /nfs/dbraw/zinc/57/96/53/571579653.db2.gz UKFMWAYBJWTSKY-LOYHVIPDSA-N 0 0 558.151 6.465 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940625 571579950 /nfs/dbraw/zinc/57/99/50/571579950.db2.gz XJAYOELTTGJRIU-LOYHVIPDSA-N 0 0 584.702 5.420 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C ZINC000224587340 571581251 /nfs/dbraw/zinc/58/12/51/571581251.db2.gz ZQJBOZIQUFCKDT-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223956018 571583189 /nfs/dbraw/zinc/58/31/89/571583189.db2.gz NPCQUGJKVNYJHQ-KYJUHHDHSA-N 0 0 567.715 5.289 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224601859 571584285 /nfs/dbraw/zinc/58/42/85/571584285.db2.gz CPQMABGERWPBIB-LOSJGSFVSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224603898 571584603 /nfs/dbraw/zinc/58/46/03/571584603.db2.gz PEZPUAFHUZCFDF-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224604173 571584785 /nfs/dbraw/zinc/58/47/85/571584785.db2.gz MRLQQKFUNPHZMV-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606062 571585103 /nfs/dbraw/zinc/58/51/03/571585103.db2.gz MWYSEPPMWLJDEX-URLMMPGGSA-N 0 0 511.695 6.218 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224608152 571585580 /nfs/dbraw/zinc/58/55/80/571585580.db2.gz OAFLZWQUBWNXMR-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224608410 571585693 /nfs/dbraw/zinc/58/56/93/571585693.db2.gz SUXWEYYZFAWXCR-IZZNHLLZSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224608460 571585723 /nfs/dbraw/zinc/58/57/23/571585723.db2.gz SUXWEYYZFAWXCR-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223973445 571586652 /nfs/dbraw/zinc/58/66/52/571586652.db2.gz SXSOTQHYRKLLLS-VMPREFPWSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223974633 571586941 /nfs/dbraw/zinc/58/69/41/571586941.db2.gz SGUOAPZOYIRELI-KAYWLYCHSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223977946 571587598 /nfs/dbraw/zinc/58/75/98/571587598.db2.gz BVJYKOVXBSYCMT-KAYWLYCHSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000223978632 571587614 /nfs/dbraw/zinc/58/76/14/571587614.db2.gz HPJBTICXYJSWAZ-URLMMPGGSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000223978818 571587794 /nfs/dbraw/zinc/58/77/94/571587794.db2.gz JLUUGDYUFZFGSC-PXJZQJOASA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223979786 571587975 /nfs/dbraw/zinc/58/79/75/571587975.db2.gz UTBIMLGNBDTCTG-IZLXSDGUSA-N 0 0 530.097 6.586 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000224629573 571590490 /nfs/dbraw/zinc/59/04/90/571590490.db2.gz IDJYYQPWOFKOPG-KYJUHHDHSA-N 0 0 517.658 6.854 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000224635294 571591664 /nfs/dbraw/zinc/59/16/64/571591664.db2.gz ZSHLNBFXYVSVKW-IOWSJCHKSA-N 0 0 516.670 7.459 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223996730 571591955 /nfs/dbraw/zinc/59/19/55/571591955.db2.gz ZNEBYIIHCGNJKA-WUFINQPMSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224637478 571592269 /nfs/dbraw/zinc/59/22/69/571592269.db2.gz ITOWKMRIMGZOFB-CONSDPRKSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224637535 571592318 /nfs/dbraw/zinc/59/23/18/571592318.db2.gz JUJAOKCXQYZAPD-FIRIVFDPSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224637625 571592321 /nfs/dbraw/zinc/59/23/21/571592321.db2.gz JUJAOKCXQYZAPD-IOWSJCHKSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000224637719 571592467 /nfs/dbraw/zinc/59/24/67/571592467.db2.gz UMFMMIRCXGVASC-FIRIVFDPSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224638555 571592586 /nfs/dbraw/zinc/59/25/86/571592586.db2.gz KMFLSFXIVBOZPR-CONSDPRKSA-N 0 0 532.669 7.164 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224639781 571592810 /nfs/dbraw/zinc/59/28/10/571592810.db2.gz CGGILWMIXUONTQ-LQJZCPKCSA-N 0 0 559.739 7.525 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224640062 571592992 /nfs/dbraw/zinc/59/29/92/571592992.db2.gz OOCGRSZHIMBFLB-FIRIVFDPSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224001932 571593166 /nfs/dbraw/zinc/59/31/66/571593166.db2.gz KXWPWTHFSGHHKH-XZWHSSHBSA-N 0 0 553.688 5.232 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642099 571593284 /nfs/dbraw/zinc/59/32/84/571593284.db2.gz OQUUYVWAZIBUQX-ACHIHNKUSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224641458 571593345 /nfs/dbraw/zinc/59/33/45/571593345.db2.gz LUIHQALMJGIXPP-ACHIHNKUSA-N 0 0 560.679 7.187 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224641836 571593373 /nfs/dbraw/zinc/59/33/73/571593373.db2.gz FSUSVYGLDCWRNF-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642868 571593423 /nfs/dbraw/zinc/59/34/23/571593423.db2.gz UGLDHLAWKUCNIR-ZWXJPIIXSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642961 571593469 /nfs/dbraw/zinc/59/34/69/571593469.db2.gz UGLDHLAWKUCNIR-ACHIHNKUSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224642330 571593474 /nfs/dbraw/zinc/59/34/74/571593474.db2.gz DPBWDUHYZDURSE-ACHIHNKUSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224643462 571593503 /nfs/dbraw/zinc/59/35/03/571593503.db2.gz CDWOXIZEPASZMN-FIRIVFDPSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000224643775 571593539 /nfs/dbraw/zinc/59/35/39/571593539.db2.gz ZRGQGTXBDBRSFJ-KYJUHHDHSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1O ZINC000224007050 571594214 /nfs/dbraw/zinc/59/42/14/571594214.db2.gz FVKVQKCBROENEW-IZZNHLLZSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl ZINC000224013871 571595316 /nfs/dbraw/zinc/59/53/16/571595316.db2.gz KLYUQRFZCURMGP-UIOOFZCWSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1c(C)cc(C)cc1C ZINC000224018980 571596218 /nfs/dbraw/zinc/59/62/18/571596218.db2.gz CNILPUXOCKMFSQ-LMSSTIIKSA-N 0 0 510.663 6.320 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1C ZINC000224019204 571596423 /nfs/dbraw/zinc/59/64/23/571596423.db2.gz NEICXTQVTFKNIP-RRPNLBNLSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020486 571596600 /nfs/dbraw/zinc/59/66/00/571596600.db2.gz YEARDGUFYUFSIV-KAYWLYCHSA-N 0 0 543.605 5.312 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224664828 571598656 /nfs/dbraw/zinc/59/86/56/571598656.db2.gz IEVYUWPWGOQLSN-ACHIHNKUSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1 ZINC000224669002 571599356 /nfs/dbraw/zinc/59/93/56/571599356.db2.gz QTBPTELSKFPURB-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1 ZINC000224035550 571599364 /nfs/dbraw/zinc/59/93/64/571599364.db2.gz RFBZKVDCNBEZQT-RRPNLBNLSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1F ZINC000224670112 571599512 /nfs/dbraw/zinc/59/95/12/571599512.db2.gz KIHQXQFKAOIIRS-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224669882 571599519 /nfs/dbraw/zinc/59/95/19/571599519.db2.gz OEOGSKCMUPRAHG-SZAHLOSFSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1O ZINC000224671804 571600043 /nfs/dbraw/zinc/60/00/43/571600043.db2.gz SIEKXVNEXOGSGM-ROJLCIKYSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224673730 571600391 /nfs/dbraw/zinc/60/03/91/571600391.db2.gz PUJIRDNAGQNUKX-AJQTZOPKSA-N 0 0 599.587 9.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224040949 571600392 /nfs/dbraw/zinc/60/03/92/571600392.db2.gz BXERQYOOHPKEFC-ROJLCIKYSA-N 0 0 618.203 6.181 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224673648 571600436 /nfs/dbraw/zinc/60/04/36/571600436.db2.gz PUJIRDNAGQNUKX-ROJLCIKYSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1C ZINC000224674165 571600546 /nfs/dbraw/zinc/60/05/46/571600546.db2.gz RUKAMOONHVXJQO-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000224043739 571601024 /nfs/dbraw/zinc/60/10/24/571601024.db2.gz PSKSSPHKPAAXTN-SXOMAYOGSA-N 0 0 534.085 5.740 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676713 571601160 /nfs/dbraw/zinc/60/11/60/571601160.db2.gz VASQOFXHWLRMFU-VLZNPVHKSA-N 0 0 572.778 8.638 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224677385 571601302 /nfs/dbraw/zinc/60/13/02/571601302.db2.gz KGFOSYVMNMPRHM-ZWXJPIIXSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224046082 571601336 /nfs/dbraw/zinc/60/13/36/571601336.db2.gz ZVRDGGZYCWLGEY-IZLXSDGUSA-N 0 0 583.541 6.704 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000217416493 571601425 /nfs/dbraw/zinc/60/14/25/571601425.db2.gz ZSHLXESIJVZZBW-BJUSWJRTSA-N 0 0 530.580 7.128 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224051324 571602293 /nfs/dbraw/zinc/60/22/93/571602293.db2.gz IWQONBRVMDSWFX-WDYNHAJCSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224052358 571602459 /nfs/dbraw/zinc/60/24/59/571602459.db2.gz OVNJHRJVKWIWHL-WUFINQPMSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224052484 571602483 /nfs/dbraw/zinc/60/24/83/571602483.db2.gz JEKYJGWFABYCND-NSOVKSMOSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224052956 571602631 /nfs/dbraw/zinc/60/26/31/571602631.db2.gz WHMHEKDTWCQEDB-NSOVKSMOSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224054134 571602795 /nfs/dbraw/zinc/60/27/95/571602795.db2.gz VDRLUNRMOZPFMD-NSOVKSMOSA-N 0 0 611.993 7.107 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056344 571603281 /nfs/dbraw/zinc/60/32/81/571603281.db2.gz QOLTUCYZQHZMCS-AJQTZOPKSA-N 0 0 604.220 7.191 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224057951 571603812 /nfs/dbraw/zinc/60/38/12/571603812.db2.gz ZVLYMCNNEDDNAX-WDYNHAJCSA-N 0 0 577.106 6.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224058138 571603856 /nfs/dbraw/zinc/60/38/56/571603856.db2.gz XJQSCYHUJDJKEB-SMCANUKXSA-N 0 0 575.178 7.270 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224057894 571603868 /nfs/dbraw/zinc/60/38/68/571603868.db2.gz ZVLYMCNNEDDNAX-VMPREFPWSA-N 0 0 577.106 6.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224059619 571604274 /nfs/dbraw/zinc/60/42/74/571604274.db2.gz CSJQGSDKOVHEGF-WDYNHAJCSA-N 0 0 597.568 7.007 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224060446 571604439 /nfs/dbraw/zinc/60/44/39/571604439.db2.gz UYYSCHAWLZBOPF-VSGBNLITSA-N 0 0 548.112 6.048 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)cc1 ZINC000224689419 571604785 /nfs/dbraw/zinc/60/47/85/571604785.db2.gz LTCYWRAWXATSRQ-AJQTZOPKSA-N 0 0 546.696 7.467 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224689730 571604982 /nfs/dbraw/zinc/60/49/82/571604982.db2.gz MAFSUZWBUVFICV-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224690125 571605058 /nfs/dbraw/zinc/60/50/58/571605058.db2.gz WMMKLJHSOXRTPP-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224690274 571605138 /nfs/dbraw/zinc/60/51/38/571605138.db2.gz WMMKLJHSOXRTPP-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000224695422 571606011 /nfs/dbraw/zinc/60/60/11/571606011.db2.gz POAJCPCTPZMCGI-ACHIHNKUSA-N 0 0 581.185 8.645 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224703783 571606854 /nfs/dbraw/zinc/60/68/54/571606854.db2.gz YOQISCSTIQBLCL-NOCHOARKSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)C ZINC000224081067 571607266 /nfs/dbraw/zinc/60/72/66/571607266.db2.gz ZMFIJKHRSOWGKU-VMPREFPWSA-N 0 0 539.749 6.793 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224708748 571607532 /nfs/dbraw/zinc/60/75/32/571607532.db2.gz WFGOHNWEKBPQJE-UZNNEEJFSA-N 0 0 558.751 8.384 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710504 571607899 /nfs/dbraw/zinc/60/78/99/571607899.db2.gz HEPLIYKOZZKMGW-SAIUNTKASA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224711623 571608227 /nfs/dbraw/zinc/60/82/27/571608227.db2.gz FSTJZOJDEDFCGF-ACHIHNKUSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224711486 571608262 /nfs/dbraw/zinc/60/82/62/571608262.db2.gz FSTJZOJDEDFCGF-ROJLCIKYSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1 ZINC000224089445 571608388 /nfs/dbraw/zinc/60/83/88/571608388.db2.gz NTJQDQBJNHLKSV-URLMMPGGSA-N 0 0 523.706 6.569 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1 ZINC000224089395 571608457 /nfs/dbraw/zinc/60/84/57/571608457.db2.gz NTJQDQBJNHLKSV-WDYNHAJCSA-N 0 0 523.706 6.569 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224090500 571608549 /nfs/dbraw/zinc/60/85/49/571608549.db2.gz IKRFMHMRTWHNOD-FIRIVFDPSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224091439 571608614 /nfs/dbraw/zinc/60/86/14/571608614.db2.gz NYCFEYOZELSANR-FQLXRVMXSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1F ZINC000224091023 571608639 /nfs/dbraw/zinc/60/86/39/571608639.db2.gz UMMIQXBQWPXHAT-WDYNHAJCSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224091807 571608758 /nfs/dbraw/zinc/60/87/58/571608758.db2.gz RXYDLABUEBXGDS-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224092440 571608844 /nfs/dbraw/zinc/60/88/44/571608844.db2.gz URDNWOIHGUTFDM-URLMMPGGSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1O ZINC000224093227 571608911 /nfs/dbraw/zinc/60/89/11/571608911.db2.gz XNORSWSSRFVLKR-VMPREFPWSA-N 0 0 539.705 6.275 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224092879 571608956 /nfs/dbraw/zinc/60/89/56/571608956.db2.gz DICTWYGRAYXMAO-WDYNHAJCSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224094799 571609124 /nfs/dbraw/zinc/60/91/24/571609124.db2.gz VNDGOOPXOOEYKL-CONSDPRKSA-N 0 0 566.775 6.635 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094934 571609190 /nfs/dbraw/zinc/60/91/90/571609190.db2.gz PJZOCLCQPJHELY-SAIUNTKASA-N 0 0 594.829 7.415 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224095512 571609256 /nfs/dbraw/zinc/60/92/56/571609256.db2.gz QULQVSXZCCQKOS-VMPREFPWSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224095905 571609390 /nfs/dbraw/zinc/60/93/90/571609390.db2.gz ITVXUEJAWHGKQA-IOWSJCHKSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224096135 571609395 /nfs/dbraw/zinc/60/93/95/571609395.db2.gz JQJZONHWOOGAOI-IGYGKHONSA-N 0 0 551.760 7.186 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098381 571609685 /nfs/dbraw/zinc/60/96/85/571609685.db2.gz LYUUUAQGMGRHLN-LOYHVIPDSA-N 0 0 598.729 6.486 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098305 571609704 /nfs/dbraw/zinc/60/97/04/571609704.db2.gz ZMPDOWBWUOQIPO-KYJUHHDHSA-N 0 0 588.177 7.231 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098681 571609769 /nfs/dbraw/zinc/60/97/69/571609769.db2.gz SSUARLQMWKRPQD-BHYZAODMSA-N 0 0 565.787 7.440 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224724022 571610922 /nfs/dbraw/zinc/61/09/22/571610922.db2.gz DPOMZDIXWWWLDG-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224724069 571610962 /nfs/dbraw/zinc/61/09/62/571610962.db2.gz DPOMZDIXWWWLDG-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224723924 571611001 /nfs/dbraw/zinc/61/10/01/571611001.db2.gz DPOMZDIXWWWLDG-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)cc2)cc1 ZINC000224728586 571611733 /nfs/dbraw/zinc/61/17/33/571611733.db2.gz ASFFLQCHLXEENA-LQFQNGICSA-N 0 0 631.802 7.304 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)cc2)cc1 ZINC000224728539 571611738 /nfs/dbraw/zinc/61/17/38/571611738.db2.gz ASFFLQCHLXEENA-MPQUPPDSSA-N 0 0 631.802 7.304 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)cc1 ZINC000224737579 571612527 /nfs/dbraw/zinc/61/25/27/571612527.db2.gz TULDDHWVSZAGAD-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224738212 571612620 /nfs/dbraw/zinc/61/26/20/571612620.db2.gz BGYSEHXQUKPRKC-HEVIKAOCSA-N 0 0 574.750 8.030 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224737973 571612627 /nfs/dbraw/zinc/61/26/27/571612627.db2.gz HNUNJCCESSDZBV-SZAHLOSFSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 ZINC000224738674 571612660 /nfs/dbraw/zinc/61/26/60/571612660.db2.gz VTKJGIHFQOKHMZ-ACHIHNKUSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4O)c3C)cc2)cc1 ZINC000224740753 571612751 /nfs/dbraw/zinc/61/27/51/571612751.db2.gz YMAGSFGIMPNHRS-ROJLCIKYSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4O)c3C)cc2)cc1 ZINC000224740650 571612767 /nfs/dbraw/zinc/61/27/67/571612767.db2.gz YMAGSFGIMPNHRS-ZWXJPIIXSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)cc2)cc1 ZINC000224742069 571612849 /nfs/dbraw/zinc/61/28/49/571612849.db2.gz KPCUROKYRYWRBK-NOCHOARKSA-N 0 0 589.765 7.533 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742289 571612898 /nfs/dbraw/zinc/61/28/98/571612898.db2.gz MNPOBURLXFFGFI-XDSPJLLDSA-N 0 0 617.819 8.313 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C)c4C)c3C)cc2)cc1 ZINC000224743010 571612976 /nfs/dbraw/zinc/61/29/76/571612976.db2.gz JJHJXNWAGMIJHY-KKLWWLSJSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)cc2)cc1 ZINC000224745341 571613175 /nfs/dbraw/zinc/61/31/75/571613175.db2.gz JQZGYYMUBQBWHK-SAIUNTKASA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)cc2)cc1 ZINC000224745223 571613185 /nfs/dbraw/zinc/61/31/85/571613185.db2.gz HOCDFNAGXFCJKN-CZNDPXEESA-N 0 0 611.167 8.129 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224745593 571613262 /nfs/dbraw/zinc/61/32/62/571613262.db2.gz GCLFETUDHYMGPW-QWOOXDRHSA-N 0 0 588.777 8.338 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224762350 571614795 /nfs/dbraw/zinc/61/47/95/571614795.db2.gz WLXISWRLXYJRLJ-FIRIVFDPSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224762550 571614825 /nfs/dbraw/zinc/61/48/25/571614825.db2.gz UYUMYXFAIQEFPH-VSJLXWSYSA-N 0 0 662.841 7.562 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 ZINC000224764877 571615019 /nfs/dbraw/zinc/61/50/19/571615019.db2.gz IAANDZKLONLXQB-LOYHVIPDSA-N 0 0 578.723 7.121 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224771570 571615594 /nfs/dbraw/zinc/61/55/94/571615594.db2.gz HPLYVUACHAQXIH-AJQTZOPKSA-N 0 0 591.762 8.034 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224772303 571615664 /nfs/dbraw/zinc/61/56/64/571615664.db2.gz SIQXPRMRTJLSHW-CZNDPXEESA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224773881 571615779 /nfs/dbraw/zinc/61/57/79/571615779.db2.gz BRTUXUAUMHYQQN-CONSDPRKSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224773785 571615798 /nfs/dbraw/zinc/61/57/98/571615798.db2.gz BRTUXUAUMHYQQN-JSOSNVBQSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1O ZINC000224774357 571615850 /nfs/dbraw/zinc/61/58/50/571615850.db2.gz QEEFHHSXSUWCFA-FIRIVFDPSA-N 0 0 593.734 7.431 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224776358 571616025 /nfs/dbraw/zinc/61/60/25/571616025.db2.gz KHTPVGPOBITOJL-CONSDPRKSA-N 0 0 646.625 9.032 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224776462 571616083 /nfs/dbraw/zinc/61/60/83/571616083.db2.gz RWOXRYQYGGJFSC-JSOSNVBQSA-N 0 0 646.625 9.032 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224778194 571616183 /nfs/dbraw/zinc/61/61/83/571616183.db2.gz OQQHINCKGLHRDH-ROJLCIKYSA-N 0 0 652.758 7.642 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224778326 571616210 /nfs/dbraw/zinc/61/62/10/571616210.db2.gz OQQHINCKGLHRDH-ACHIHNKUSA-N 0 0 652.758 7.642 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779176 571616279 /nfs/dbraw/zinc/61/62/79/571616279.db2.gz RMMYZLTWVADVOG-ZFEZZJPFSA-N 0 0 619.816 8.596 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224791900 571617498 /nfs/dbraw/zinc/61/74/98/571617498.db2.gz BBMKYPCOOQYXAB-ACHIHNKUSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c(OC)c1 ZINC000224805196 571618760 /nfs/dbraw/zinc/61/87/60/571618760.db2.gz OSNCHZPEVBAFNC-KAYWLYCHSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 ZINC000224806450 571618900 /nfs/dbraw/zinc/61/89/00/571618900.db2.gz JQRLDSRCOGXDPQ-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 ZINC000224809618 571619222 /nfs/dbraw/zinc/61/92/22/571619222.db2.gz OYGCRCYQNVLMQE-RRPNLBNLSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(OC)c1 ZINC000224811188 571619333 /nfs/dbraw/zinc/61/93/33/571619333.db2.gz WVQMTJYXYPZGCP-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(OC)c1 ZINC000224811969 571619370 /nfs/dbraw/zinc/61/93/70/571619370.db2.gz QMQUIRYMLDICOI-IZLXSDGUSA-N 0 0 549.096 6.345 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224812410 571619431 /nfs/dbraw/zinc/61/94/31/571619431.db2.gz DLVBKEAYJRGNNZ-MFMCTBQISA-N 0 0 526.706 6.554 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224824551 571620665 /nfs/dbraw/zinc/62/06/65/571620665.db2.gz JMONUKSXYDTUCV-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224824746 571620685 /nfs/dbraw/zinc/62/06/85/571620685.db2.gz BZJAXURVLQEMIR-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224833881 571621599 /nfs/dbraw/zinc/62/15/99/571621599.db2.gz WDYVUCAOGOOBNW-UHFFFAOYSA-N 0 0 534.509 5.660 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224833531 571621601 /nfs/dbraw/zinc/62/16/01/571621601.db2.gz XIYIOWBVSGRHFV-KAYWLYCHSA-N 0 0 535.069 6.042 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224838075 571622026 /nfs/dbraw/zinc/62/20/26/571622026.db2.gz SWYUPKSBQZKWLZ-FQLXRVMXSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000224838863 571622155 /nfs/dbraw/zinc/62/21/55/571622155.db2.gz IPQMKWFXPHYWCQ-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000224839347 571622183 /nfs/dbraw/zinc/62/21/83/571622183.db2.gz VFNRXQXZJGXPKJ-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224840161 571622244 /nfs/dbraw/zinc/62/22/44/571622244.db2.gz JIQQIQBKHRDYGD-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1 ZINC000224840310 571622277 /nfs/dbraw/zinc/62/22/77/571622277.db2.gz USQLIPFLYMUOHD-RRPNLBNLSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1 ZINC000224840223 571622278 /nfs/dbraw/zinc/62/22/78/571622278.db2.gz USQLIPFLYMUOHD-SVBPBHIXSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1 ZINC000224840263 571622321 /nfs/dbraw/zinc/62/23/21/571622321.db2.gz USQLIPFLYMUOHD-SXOMAYOGSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1 ZINC000224842372 571622473 /nfs/dbraw/zinc/62/24/73/571622473.db2.gz OCUAWRQKZGBYGZ-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1 ZINC000224842499 571622482 /nfs/dbraw/zinc/62/24/82/571622482.db2.gz OCUAWRQKZGBYGZ-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1 ZINC000224842795 571622509 /nfs/dbraw/zinc/62/25/09/571622509.db2.gz JVFVACAZUFCCLD-PXJZQJOASA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 ZINC000224843270 571622532 /nfs/dbraw/zinc/62/25/32/571622532.db2.gz VKVXRZRGCJVRAQ-VSGBNLITSA-N 0 0 528.634 5.412 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224856471 571623700 /nfs/dbraw/zinc/62/37/00/571623700.db2.gz HGGUKTVNIQQNKZ-IZLXSDGUSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860632 571624099 /nfs/dbraw/zinc/62/40/99/571624099.db2.gz SACHDKGNUFBSCG-VMPREFPWSA-N 0 0 560.123 5.862 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860370 571624117 /nfs/dbraw/zinc/62/41/17/571624117.db2.gz XWDLURNTTHMAJU-RPBOFIJWSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224868517 571624935 /nfs/dbraw/zinc/62/49/35/571624935.db2.gz YSNMEAILPNVNQK-RPBOFIJWSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224868597 571624951 /nfs/dbraw/zinc/62/49/51/571624951.db2.gz YSNMEAILPNVNQK-DQEYMECFSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Cl ZINC000224869658 571625052 /nfs/dbraw/zinc/62/50/52/571625052.db2.gz CYVMKNKDXVFBRO-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1 ZINC000224869719 571625071 /nfs/dbraw/zinc/62/50/71/571625071.db2.gz DICFWYIWFLWFDN-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1 ZINC000224870036 571625105 /nfs/dbraw/zinc/62/51/05/571625105.db2.gz KRXSPTNDUUNACK-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1 ZINC000224869996 571625111 /nfs/dbraw/zinc/62/51/11/571625111.db2.gz KRXSPTNDUUNACK-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224871286 571625223 /nfs/dbraw/zinc/62/52/23/571625223.db2.gz WNVWZJGGHBLTKW-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224871106 571625230 /nfs/dbraw/zinc/62/52/30/571625230.db2.gz VJGQGVVHCFEPPK-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872215 571625345 /nfs/dbraw/zinc/62/53/45/571625345.db2.gz ZRJAQLAWRCOZIH-VMPREFPWSA-N 0 0 546.140 6.871 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224874136 571625604 /nfs/dbraw/zinc/62/56/04/571625604.db2.gz MLOUFHZTASOQJR-IZZNHLLZSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874774 571625646 /nfs/dbraw/zinc/62/56/46/571625646.db2.gz PMDCVJDCLKMZHL-FTJBHMTQSA-N 0 0 550.040 5.942 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1C ZINC000224874305 571625698 /nfs/dbraw/zinc/62/56/98/571625698.db2.gz SBSOWQIIKPIOBI-IZZNHLLZSA-N 0 0 523.489 6.987 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224886185 571626727 /nfs/dbraw/zinc/62/67/27/571626727.db2.gz ZBEVKFHVOQAOTK-IZZNHLLZSA-N 0 0 533.053 5.812 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224886536 571626800 /nfs/dbraw/zinc/62/68/00/571626800.db2.gz CSXMITXEZHKMCD-IZZNHLLZSA-N 0 0 533.053 5.812 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224886451 571626803 /nfs/dbraw/zinc/62/68/03/571626803.db2.gz CSXMITXEZHKMCD-CLJLJLNGSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224890225 571627169 /nfs/dbraw/zinc/62/71/69/571627169.db2.gz GNIPFENVLQSXHY-XZWHSSHBSA-N 0 0 541.696 5.950 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1F ZINC000224891132 571627281 /nfs/dbraw/zinc/62/72/81/571627281.db2.gz MMFZBFIQACAKPT-UIOOFZCWSA-N 0 0 507.078 6.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224894035 571627548 /nfs/dbraw/zinc/62/75/48/571627548.db2.gz MNVQATSLXXYKTN-FTJBHMTQSA-N 0 0 507.034 6.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224903654 571628438 /nfs/dbraw/zinc/62/84/38/571628438.db2.gz JPKYPTKETPYHQT-SXOMAYOGSA-N 0 0 505.062 7.076 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1Br ZINC000224920847 571630064 /nfs/dbraw/zinc/63/00/64/571630064.db2.gz PADIZXVDRCWAAN-FTJBHMTQSA-N 0 0 567.984 7.615 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C ZINC000224927472 571630827 /nfs/dbraw/zinc/63/08/27/571630827.db2.gz PJEDZHJUEFYQPX-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224928185 571630907 /nfs/dbraw/zinc/63/09/07/571630907.db2.gz ZWRUHPCOSARMOC-WUFINQPMSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224928835 571630949 /nfs/dbraw/zinc/63/09/49/571630949.db2.gz NIEPBRUYARGFTQ-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224929413 571631017 /nfs/dbraw/zinc/63/10/17/571631017.db2.gz YGGAUZHKSRBJSM-UIOOFZCWSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224930186 571631081 /nfs/dbraw/zinc/63/10/81/571631081.db2.gz FUZXLWBVBPOKAZ-CLJLJLNGSA-N 0 0 533.495 6.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224931659 571631188 /nfs/dbraw/zinc/63/11/88/571631188.db2.gz JKZNKKKVGPGULG-IZZNHLLZSA-N 0 0 586.386 8.044 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931490 571631214 /nfs/dbraw/zinc/63/12/14/571631214.db2.gz KQEOVKLVFKNOSQ-XZWHSSHBSA-N 0 0 588.619 7.583 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224931582 571631232 /nfs/dbraw/zinc/63/12/32/571631232.db2.gz JKZNKKKVGPGULG-CLJLJLNGSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224932541 571631321 /nfs/dbraw/zinc/63/13/21/571631321.db2.gz YJBVDFPEATZLGF-NSOVKSMOSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224932811 571631339 /nfs/dbraw/zinc/63/13/39/571631339.db2.gz WPZUTICDQYHOGC-PXJZQJOASA-N 0 0 559.577 7.662 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224932944 571631358 /nfs/dbraw/zinc/63/13/58/571631358.db2.gz ALQZTHUQCUPJRU-KAYWLYCHSA-N 0 0 565.968 7.699 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224949461 571632985 /nfs/dbraw/zinc/63/29/85/571632985.db2.gz PEOGGZNYHWDTHP-XZWHSSHBSA-N 0 0 574.150 6.165 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224956293 571633564 /nfs/dbraw/zinc/63/35/64/571633564.db2.gz RYVNKTBJDRCXIP-LOYHVIPDSA-N 0 0 539.104 7.481 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224956216 571633575 /nfs/dbraw/zinc/63/35/75/571633575.db2.gz RYVNKTBJDRCXIP-IHLOFXLRSA-N 0 0 539.104 7.481 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224957237 571633708 /nfs/dbraw/zinc/63/37/08/571633708.db2.gz SOUURBWPZAPUPE-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224958187 571633786 /nfs/dbraw/zinc/63/37/86/571633786.db2.gz GAADVZAEDGANKY-IZZNHLLZSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224959054 571633871 /nfs/dbraw/zinc/63/38/71/571633871.db2.gz TVPSJYUWADQHEY-CLJLJLNGSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224959104 571633911 /nfs/dbraw/zinc/63/39/11/571633911.db2.gz CNOMEKCVSHYSSL-UIOOFZCWSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224959898 571633993 /nfs/dbraw/zinc/63/39/93/571633993.db2.gz RIXMUCCUYVYFPQ-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960939 571634094 /nfs/dbraw/zinc/63/40/94/571634094.db2.gz KWHZAGNYQVHBLM-KYJUHHDHSA-N 0 0 560.167 7.174 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224961039 571634137 /nfs/dbraw/zinc/63/41/37/571634137.db2.gz YZNVVRBYDPPJPJ-FTJBHMTQSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224961554 571634221 /nfs/dbraw/zinc/63/42/21/571634221.db2.gz BIFGNNYEIHOCQO-IZLXSDGUSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224962515 571634300 /nfs/dbraw/zinc/63/43/00/571634300.db2.gz YGNKKYORMBVYPX-KAYWLYCHSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224963342 571634424 /nfs/dbraw/zinc/63/44/24/571634424.db2.gz CIEPIIPTAYSJLU-RRPNLBNLSA-N 0 0 553.515 6.990 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224963726 571634483 /nfs/dbraw/zinc/63/44/83/571634483.db2.gz JNQIVQBDXAPPOM-YTMVLYRLSA-N 0 0 531.125 7.199 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224964217 571634537 /nfs/dbraw/zinc/63/45/37/571634537.db2.gz HZBNJEZBWBKVCB-IZZNHLLZSA-N 0 0 504.059 6.032 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000224974186 571635358 /nfs/dbraw/zinc/63/53/58/571635358.db2.gz QKZKTOGNNHFAOF-IZZNHLLZSA-N 0 0 505.043 6.028 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224974553 571635442 /nfs/dbraw/zinc/63/54/42/571635442.db2.gz MOKDSLZBCKVSNW-SVBPBHIXSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224978286 571635655 /nfs/dbraw/zinc/63/56/55/571635655.db2.gz RHZOYOIKKLWOIV-FIRIVFDPSA-N 0 0 624.176 8.575 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000224979390 571635728 /nfs/dbraw/zinc/63/57/28/571635728.db2.gz YFMZJLXKJZGVNP-FIRIVFDPSA-N 0 0 606.667 8.434 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224986000 571636471 /nfs/dbraw/zinc/63/64/71/571636471.db2.gz ZMYJQOFYVAHFPI-ZWXJPIIXSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224986719 571636538 /nfs/dbraw/zinc/63/65/38/571636538.db2.gz LEDDYBVGIOXTDU-IOWSJCHKSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224988314 571636692 /nfs/dbraw/zinc/63/66/92/571636692.db2.gz XKXZOEZZVMRJKU-CONSDPRKSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224988442 571636712 /nfs/dbraw/zinc/63/67/12/571636712.db2.gz SMFAYGZEDIBPNR-IOWSJCHKSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224992571 571637232 /nfs/dbraw/zinc/63/72/32/571637232.db2.gz LCFGCDOHKORODG-IHLOFXLRSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224992436 571637234 /nfs/dbraw/zinc/63/72/34/571637234.db2.gz FMHXYMXELAATOA-IOWSJCHKSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225006753 571638523 /nfs/dbraw/zinc/63/85/23/571638523.db2.gz ULPVCMUYWMFCAP-VSGBNLITSA-N 0 0 501.700 5.241 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225035432 571640898 /nfs/dbraw/zinc/64/08/98/571640898.db2.gz MEFPACBZBGXPSR-ACHIHNKUSA-N 0 0 566.775 5.800 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225043196 571641454 /nfs/dbraw/zinc/64/14/54/571641454.db2.gz USDVPKBPBQZPAR-NSOVKSMOSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225043121 571641456 /nfs/dbraw/zinc/64/14/56/571641456.db2.gz USDVPKBPBQZPAR-IZLXSDGUSA-N 0 0 549.666 6.983 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046587 571641836 /nfs/dbraw/zinc/64/18/36/571641836.db2.gz JBNWIOWOILMKNG-ACHIHNKUSA-N 0 0 552.792 6.810 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225047404 571641948 /nfs/dbraw/zinc/64/19/48/571641948.db2.gz RJNQTNKUXQADAL-MFMCTBQISA-N 0 0 509.723 6.581 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049208 571642147 /nfs/dbraw/zinc/64/21/47/571642147.db2.gz DNDBFGHMUHTSLT-BVRKHOPBSA-N 0 0 523.750 6.835 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225068058 571643783 /nfs/dbraw/zinc/64/37/83/571643783.db2.gz WIEFRQAGIVNVNW-LQJZCPKCSA-N 0 0 624.166 7.043 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225072835 571644278 /nfs/dbraw/zinc/64/42/78/571644278.db2.gz AIQWFJKYUKRCAI-JHOUSYSJSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225073057 571644289 /nfs/dbraw/zinc/64/42/89/571644289.db2.gz OBCHOHFXIWHSAQ-LQJZCPKCSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225074036 571644352 /nfs/dbraw/zinc/64/43/52/571644352.db2.gz GCJKHWLHDLGLNA-LQJZCPKCSA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225073840 571644353 /nfs/dbraw/zinc/64/43/53/571644353.db2.gz ITHSLHUKHDMDPN-JHOUSYSJSA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225073874 571644358 /nfs/dbraw/zinc/64/43/58/571644358.db2.gz ITHSLHUKHDMDPN-LQJZCPKCSA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000225074208 571644424 /nfs/dbraw/zinc/64/44/24/571644424.db2.gz YODMGWUTBYENAJ-LQJZCPKCSA-N 0 0 589.721 6.389 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225075385 571644503 /nfs/dbraw/zinc/64/45/03/571644503.db2.gz RROSRKYGIGIANB-OIDHKYIRSA-N 0 0 616.791 6.750 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225077500 571644799 /nfs/dbraw/zinc/64/47/99/571644799.db2.gz VFWCRCGEPQFYLV-HEVIKAOCSA-N 0 0 648.745 6.601 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225077595 571644803 /nfs/dbraw/zinc/64/48/03/571644803.db2.gz MOOHWBAEHMMJCE-NOCHOARKSA-N 0 0 622.194 7.646 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225088766 571646152 /nfs/dbraw/zinc/64/61/52/571646152.db2.gz DQBRXXXJXQAFSU-CZNDPXEESA-N 0 0 589.721 6.384 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225089201 571646207 /nfs/dbraw/zinc/64/62/07/571646207.db2.gz SBEQPNCYLHICNC-HEVIKAOCSA-N 0 0 631.758 6.470 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225089089 571646212 /nfs/dbraw/zinc/64/62/12/571646212.db2.gz SBEQPNCYLHICNC-KKLWWLSJSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225095352 571646744 /nfs/dbraw/zinc/64/67/44/571646744.db2.gz HKFZNEBLKRFNBR-VSGBNLITSA-N 0 0 554.720 6.054 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100824 571647265 /nfs/dbraw/zinc/64/72/65/571647265.db2.gz VIBDHNDGUYCIJT-KYJUHHDHSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102257 571647396 /nfs/dbraw/zinc/64/73/96/571647396.db2.gz HUBRHINGVWXMMK-URLMMPGGSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102983 571647433 /nfs/dbraw/zinc/64/74/33/571647433.db2.gz JFPCBVQMFRFHQT-FQLXRVMXSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102867 571647444 /nfs/dbraw/zinc/64/74/44/571647444.db2.gz JFPCBVQMFRFHQT-VMPREFPWSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225103485 571647492 /nfs/dbraw/zinc/64/74/92/571647492.db2.gz WKVWPGPVCVGBSC-KYJUHHDHSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225103660 571647568 /nfs/dbraw/zinc/64/75/68/571647568.db2.gz VLJYOSXTYCROMZ-KYJUHHDHSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104997 571647655 /nfs/dbraw/zinc/64/76/55/571647655.db2.gz RUUVMAXWUSRZTH-IOWSJCHKSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105629 571647773 /nfs/dbraw/zinc/64/77/73/571647773.db2.gz UPBJXWLYBDDWBG-IHLOFXLRSA-N 0 0 597.741 6.388 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225106282 571647830 /nfs/dbraw/zinc/64/78/30/571647830.db2.gz UMWMZTDFIDZVRE-LOYHVIPDSA-N 0 0 628.755 6.576 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225131028 571650248 /nfs/dbraw/zinc/65/02/48/571650248.db2.gz HYOPPKNVOXCQJR-IZLXSDGUSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000225131273 571650277 /nfs/dbraw/zinc/65/02/77/571650277.db2.gz SZCPUBLVOFETGS-NSOVKSMOSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000225131363 571650297 /nfs/dbraw/zinc/65/02/97/571650297.db2.gz ZTRFYLKXCBWUEG-IZLXSDGUSA-N 0 0 623.020 7.677 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132119 571650361 /nfs/dbraw/zinc/65/03/61/571650361.db2.gz JGUFNBWWFWUTDO-FQLXRVMXSA-N 0 0 574.150 6.923 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225134612 571650574 /nfs/dbraw/zinc/65/05/74/571650574.db2.gz LLTMIJCDBLEZNX-URLMMPGGSA-N 0 0 619.147 6.831 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000225134733 571650618 /nfs/dbraw/zinc/65/06/18/571650618.db2.gz TXQJAZXGCKAXDM-WDYNHAJCSA-N 0 0 619.147 6.831 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225157765 571653059 /nfs/dbraw/zinc/65/30/59/571653059.db2.gz YWCUSCUYYVNMLL-VMPREFPWSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225157292 571653061 /nfs/dbraw/zinc/65/30/61/571653061.db2.gz YKKGKKYYACIUAO-WDYNHAJCSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225160551 571653313 /nfs/dbraw/zinc/65/33/13/571653313.db2.gz LHLOSULIHOBJAF-JSOSNVBQSA-N 0 0 552.748 6.389 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225160939 571653340 /nfs/dbraw/zinc/65/33/40/571653340.db2.gz AWZUTAAJPOTBDX-URLMMPGGSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225160976 571653343 /nfs/dbraw/zinc/65/33/43/571653343.db2.gz AWZUTAAJPOTBDX-FQLXRVMXSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225160856 571653368 /nfs/dbraw/zinc/65/33/68/571653368.db2.gz AWZUTAAJPOTBDX-VMPREFPWSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225161163 571653414 /nfs/dbraw/zinc/65/34/14/571653414.db2.gz KKCRRPUWGCPXDK-FQLXRVMXSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225162487 571653499 /nfs/dbraw/zinc/65/34/99/571653499.db2.gz JHJNPAMVRUMBMF-IHLOFXLRSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225162832 571653560 /nfs/dbraw/zinc/65/35/60/571653560.db2.gz SPUTUNBSGXTJLF-IHLOFXLRSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1C ZINC000225163556 571653588 /nfs/dbraw/zinc/65/35/88/571653588.db2.gz WBZNIQGHSIMDRH-XDFJSJKPSA-N 0 0 551.760 7.194 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225174283 571654567 /nfs/dbraw/zinc/65/45/67/571654567.db2.gz JLZFKRWLFCWXCD-LOYHVIPDSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1OC ZINC000225177961 571654926 /nfs/dbraw/zinc/65/49/26/571654926.db2.gz GXZRCUOJUGNWRT-SAIUNTKASA-N 0 0 610.784 5.860 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC ZINC000225186394 571655814 /nfs/dbraw/zinc/65/58/14/571655814.db2.gz WXLNMMCUZPQTMD-WDYNHAJCSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1OC ZINC000225186233 571655829 /nfs/dbraw/zinc/65/58/29/571655829.db2.gz XJGWIAVAJUZACX-WDYNHAJCSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC ZINC000225186358 571655847 /nfs/dbraw/zinc/65/58/47/571655847.db2.gz WXLNMMCUZPQTMD-VMPREFPWSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000225186896 571655873 /nfs/dbraw/zinc/65/58/73/571655873.db2.gz VWRSTNYKQXFHEN-WDYNHAJCSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OC ZINC000225188146 571656037 /nfs/dbraw/zinc/65/60/37/571656037.db2.gz FOGGGFCWIZTLMA-LOYHVIPDSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OC ZINC000225188070 571656040 /nfs/dbraw/zinc/65/60/40/571656040.db2.gz FOGGGFCWIZTLMA-IHLOFXLRSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1OC ZINC000225188841 571656077 /nfs/dbraw/zinc/65/60/77/571656077.db2.gz FUIIOUYGBVXFLG-FIRIVFDPSA-N 0 0 568.747 6.089 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC ZINC000225189599 571656210 /nfs/dbraw/zinc/65/62/10/571656210.db2.gz APUHCRFYVVQVPM-CONSDPRKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC ZINC000225189853 571656212 /nfs/dbraw/zinc/65/62/12/571656212.db2.gz UACJMVYFXTWXRO-IGYGKHONSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC ZINC000225190517 571656306 /nfs/dbraw/zinc/65/63/06/571656306.db2.gz DPECNCLGOBCBLN-IHLOFXLRSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC ZINC000225190995 571656323 /nfs/dbraw/zinc/65/63/23/571656323.db2.gz SIYVOVVNROOEQP-KYJUHHDHSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC ZINC000225191079 571656331 /nfs/dbraw/zinc/65/63/31/571656331.db2.gz SIYVOVVNROOEQP-XZWHSSHBSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1OC ZINC000225191784 571656427 /nfs/dbraw/zinc/65/64/27/571656427.db2.gz NXKNIGFNYXPDPE-XDFJSJKPSA-N 0 0 567.759 6.894 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1OC ZINC000225192003 571656442 /nfs/dbraw/zinc/65/64/42/571656442.db2.gz FXRHVEXAOIWJFQ-FQLXRVMXSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1OC ZINC000225191929 571656449 /nfs/dbraw/zinc/65/64/49/571656449.db2.gz FXRHVEXAOIWJFQ-WDYNHAJCSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1OC ZINC000225192133 571656455 /nfs/dbraw/zinc/65/64/55/571656455.db2.gz LGMBOVQXAROHEX-WUFINQPMSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1OC ZINC000225192307 571656464 /nfs/dbraw/zinc/65/64/64/571656464.db2.gz ZJLQPMZROLBLJM-URLMMPGGSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1OC ZINC000225202578 571657468 /nfs/dbraw/zinc/65/74/68/571657468.db2.gz RUIXDKQDXXVKOL-XZWHSSHBSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000225213967 571658539 /nfs/dbraw/zinc/65/85/39/571658539.db2.gz YNCZMTIJYOSWMO-WUFINQPMSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000225214490 571658588 /nfs/dbraw/zinc/65/85/88/571658588.db2.gz USOQTCJIXHCFAD-WUFINQPMSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000225214747 571658653 /nfs/dbraw/zinc/65/86/53/571658653.db2.gz MZUJMCJFYVPVBH-NSOVKSMOSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000225214997 571658671 /nfs/dbraw/zinc/65/86/71/571658671.db2.gz XAZHXTUONYSBRE-WUFINQPMSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000225215710 571658781 /nfs/dbraw/zinc/65/87/81/571658781.db2.gz AULBBZPXCIUABE-VSGBNLITSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000225219065 571659147 /nfs/dbraw/zinc/65/91/47/571659147.db2.gz GXEBWBKQSBUYCI-VMPREFPWSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000225230858 571660495 /nfs/dbraw/zinc/66/04/95/571660495.db2.gz HYULPJZXCRHBBD-FQLXRVMXSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000225241283 571661589 /nfs/dbraw/zinc/66/15/89/571661589.db2.gz KLNZMBMRQMMWBV-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000225241850 571661700 /nfs/dbraw/zinc/66/17/00/571661700.db2.gz PDZJHWYNGBMEPC-VSGBNLITSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000225243059 571661812 /nfs/dbraw/zinc/66/18/12/571661812.db2.gz RSHKDZOEUUNGFI-IZLXSDGUSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000225243379 571661851 /nfs/dbraw/zinc/66/18/51/571661851.db2.gz WNPCUFKPAIUADC-IZLXSDGUSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000225243674 571661909 /nfs/dbraw/zinc/66/19/09/571661909.db2.gz NUEMDLIYAVZWJD-NSOVKSMOSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000225245558 571662049 /nfs/dbraw/zinc/66/20/49/571662049.db2.gz BVULSUISFPPGSW-LOYHVIPDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000225257312 571663316 /nfs/dbraw/zinc/66/33/16/571663316.db2.gz AQHMJWJLXCNGRT-KAYWLYCHSA-N 0 0 532.069 5.596 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000225262148 571663932 /nfs/dbraw/zinc/66/39/32/571663932.db2.gz JLPSAGMSDRBSIE-VMPREFPWSA-N 0 0 541.721 5.784 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225264695 571664208 /nfs/dbraw/zinc/66/42/08/571664208.db2.gz XBVTVXNPSDUYOC-VMPREFPWSA-N 0 0 576.122 5.919 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225268946 571664747 /nfs/dbraw/zinc/66/47/47/571664747.db2.gz VNQVLKHVTAZYLH-FQLXRVMXSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225268914 571664786 /nfs/dbraw/zinc/66/47/86/571664786.db2.gz VNQVLKHVTAZYLH-URLMMPGGSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225269482 571664834 /nfs/dbraw/zinc/66/48/34/571664834.db2.gz CXAGBRAVAAPUMN-WDYNHAJCSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225269969 571664914 /nfs/dbraw/zinc/66/49/14/571664914.db2.gz MAWQZTICZKGTSI-URLMMPGGSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225271662 571665055 /nfs/dbraw/zinc/66/50/55/571665055.db2.gz YNDRDJFYOIJDQQ-CONSDPRKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225272506 571665158 /nfs/dbraw/zinc/66/51/58/571665158.db2.gz KXKMMMVGURBFLP-CDZUIXILSA-N 0 0 567.759 6.485 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225273035 571665253 /nfs/dbraw/zinc/66/52/53/571665253.db2.gz LSKRNWLWKPPUEP-IHLOFXLRSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225273704 571665329 /nfs/dbraw/zinc/66/53/29/571665329.db2.gz PKUHSLVNMAWCCK-XZWHSSHBSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225283700 571666334 /nfs/dbraw/zinc/66/63/34/571666334.db2.gz IFZZBWHSHSLKEP-VMPREFPWSA-N 0 0 541.677 5.260 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000225290855 571667182 /nfs/dbraw/zinc/66/71/82/571667182.db2.gz HQJIYNSRZIEVCS-UHFFFAOYSA-N 0 0 523.743 5.083 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1OC ZINC000225293913 571667624 /nfs/dbraw/zinc/66/76/24/571667624.db2.gz LFRYMZZEAZGWPM-SAIUNTKASA-N 0 0 591.737 6.413 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1OC ZINC000225293948 571667640 /nfs/dbraw/zinc/66/76/40/571667640.db2.gz LFRYMZZEAZGWPM-JHOUSYSJSA-N 0 0 591.737 6.413 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1OC ZINC000225294338 571667675 /nfs/dbraw/zinc/66/76/75/571667675.db2.gz ILADFKUMKIIYKK-VMPREFPWSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1OC ZINC000225294513 571667688 /nfs/dbraw/zinc/66/76/88/571667688.db2.gz IIXPLJVKSWWXBD-IHLOFXLRSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1OC ZINC000225294829 571667721 /nfs/dbraw/zinc/66/77/21/571667721.db2.gz LZWXMTOADDPLIQ-XZWHSSHBSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1OC ZINC000225294771 571667737 /nfs/dbraw/zinc/66/77/37/571667737.db2.gz LZWXMTOADDPLIQ-KYJUHHDHSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC ZINC000225294689 571667740 /nfs/dbraw/zinc/66/77/40/571667740.db2.gz VPTHBQISXVMORY-XZWHSSHBSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC ZINC000225295683 571667887 /nfs/dbraw/zinc/66/78/87/571667887.db2.gz RZFLAQSVVJALRV-URLMMPGGSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1OC ZINC000225296651 571668075 /nfs/dbraw/zinc/66/80/75/571668075.db2.gz FXQJFFQATMESEK-LOYHVIPDSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1OC ZINC000225296630 571668108 /nfs/dbraw/zinc/66/81/08/571668108.db2.gz FXQJFFQATMESEK-XZWHSSHBSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1OC ZINC000225298688 571668397 /nfs/dbraw/zinc/66/83/97/571668397.db2.gz WPHGMZRHNLDIBO-SMCANUKXSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1OC ZINC000225299289 571668449 /nfs/dbraw/zinc/66/84/49/571668449.db2.gz UBEHQGSOKNVRJW-KYJUHHDHSA-N 0 0 590.149 6.222 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225300453 571668598 /nfs/dbraw/zinc/66/85/98/571668598.db2.gz JMBIVPPQKKQVLG-XDFJSJKPSA-N 0 0 583.758 6.131 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000225305053 571669153 /nfs/dbraw/zinc/66/91/53/571669153.db2.gz UGNNPCZEHNZZAX-DEOSSOPVSA-N 0 0 519.711 5.751 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)ccc1OC ZINC000225309001 571669730 /nfs/dbraw/zinc/66/97/30/571669730.db2.gz XASRUDVEJJLUJQ-XZWHSSHBSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NC(C)=O ZINC000225311963 571670413 /nfs/dbraw/zinc/67/04/13/571670413.db2.gz JNOLQYHLIHSRQS-VSGBNLITSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NC(C)=O ZINC000225312753 571670652 /nfs/dbraw/zinc/67/06/52/571670652.db2.gz SHCYJFHFCAONPW-NSOVKSMOSA-N 0 0 527.694 5.857 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NC(C)=O ZINC000225313835 571670885 /nfs/dbraw/zinc/67/08/85/571670885.db2.gz QMQFONNFIZGEMB-RRPNLBNLSA-N 0 0 512.639 5.028 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NC(C)=O ZINC000225317645 571671871 /nfs/dbraw/zinc/67/18/71/571671871.db2.gz RGNPLZAKCOHFQF-ZWXJPIIXSA-N 0 0 561.711 6.786 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NC(C)=O ZINC000225318425 571672315 /nfs/dbraw/zinc/67/23/15/571672315.db2.gz GJHGBGFTKJGIQZ-WDYNHAJCSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NC(C)=O ZINC000225319853 571674334 /nfs/dbraw/zinc/67/43/34/571674334.db2.gz NZWFKGWPQAWDHD-VSGBNLITSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320274 571675224 /nfs/dbraw/zinc/67/52/24/571675224.db2.gz PEZZYKYAGHCDHF-VMPREFPWSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NC(C)=O ZINC000225321168 571676254 /nfs/dbraw/zinc/67/62/54/571676254.db2.gz YXOMIBFUPUCIGE-IZLXSDGUSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NC(C)=O ZINC000225321435 571676747 /nfs/dbraw/zinc/67/67/47/571676747.db2.gz VJEJKXJJYHQOCL-KYJUHHDHSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NC(C)=O ZINC000225322810 571678448 /nfs/dbraw/zinc/67/84/48/571678448.db2.gz GAFUSVJLPMIGMK-FQLXRVMXSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000225332613 571690617 /nfs/dbraw/zinc/69/06/17/571690617.db2.gz AODOJXVHNARUEO-NSOVKSMOSA-N 0 0 527.650 5.333 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225332951 571690879 /nfs/dbraw/zinc/69/08/79/571690879.db2.gz UMBVASMQQGJAOT-URLMMPGGSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225336101 571694199 /nfs/dbraw/zinc/69/41/99/571694199.db2.gz IDEMLFXNNNERIT-ROJLCIKYSA-N 0 0 567.759 6.290 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000260795853 571703824 /nfs/dbraw/zinc/70/38/24/571703824.db2.gz MBQMSXUSBUFYSO-TZIWHRDSSA-N 0 0 506.112 5.308 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225344426 571704062 /nfs/dbraw/zinc/70/40/62/571704062.db2.gz ORUGTFYBAYOQFI-VSGBNLITSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225344774 571704591 /nfs/dbraw/zinc/70/45/91/571704591.db2.gz XNFXFYAMNQHDHD-WUFINQPMSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225346492 571706358 /nfs/dbraw/zinc/70/63/58/571706358.db2.gz YHYAFIJHPRRQCC-IZLXSDGUSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225347054 571706848 /nfs/dbraw/zinc/70/68/48/571706848.db2.gz FKRKLWSMHBYMIO-KYJUHHDHSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225347180 571707679 /nfs/dbraw/zinc/70/76/79/571707679.db2.gz XLUXJSQBKSDODB-MFMCTBQISA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225347666 571708399 /nfs/dbraw/zinc/70/83/99/571708399.db2.gz GRWYIAJWORPCSD-IGYGKHONSA-N 0 0 524.734 7.379 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225348188 571709064 /nfs/dbraw/zinc/70/90/64/571709064.db2.gz QEKIOUQVVMQODX-VMPREFPWSA-N 0 0 557.676 6.370 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225372914 571738477 /nfs/dbraw/zinc/73/84/77/571738477.db2.gz PFQMAYCJCDNBEA-XDFJSJKPSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225373433 571739235 /nfs/dbraw/zinc/73/92/35/571739235.db2.gz QQPQAFYZQQAVRP-FIRIVFDPSA-N 0 0 557.163 7.949 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225373618 571739741 /nfs/dbraw/zinc/73/97/41/571739741.db2.gz WMBWLEYANXXEBN-JSOSNVBQSA-N 0 0 583.714 6.904 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374361 571740520 /nfs/dbraw/zinc/74/05/20/571740520.db2.gz VVIGOZDQWCGSDT-JSOSNVBQSA-N 0 0 583.714 6.904 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225374893 571741166 /nfs/dbraw/zinc/74/11/66/571741166.db2.gz FRRGEPUAANFGOA-LOYHVIPDSA-N 0 0 523.706 6.691 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260851055 571750785 /nfs/dbraw/zinc/75/07/85/571750785.db2.gz CQWWPYGXCSPRJC-WUFINQPMSA-N 0 0 529.685 5.854 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)cc21 ZINC000260851202 571751302 /nfs/dbraw/zinc/75/13/02/571751302.db2.gz IUKGOJHBYGVXQE-NSOVKSMOSA-N 0 0 564.130 6.507 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000260851064 571751419 /nfs/dbraw/zinc/75/14/19/571751419.db2.gz DBMUARHQNJUUIN-RRPNLBNLSA-N 0 0 598.194 5.924 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260851311 571751854 /nfs/dbraw/zinc/75/18/54/571751854.db2.gz OZHIKBMYOQAGFD-VSGBNLITSA-N 0 0 527.694 5.475 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225383293 571752031 /nfs/dbraw/zinc/75/20/31/571752031.db2.gz DHUSDAFMZJDZEU-IOWSJCHKSA-N 0 0 566.727 6.774 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21 ZINC000260852517 571752781 /nfs/dbraw/zinc/75/27/81/571752781.db2.gz QRCDRJBOEUWTKN-NSOVKSMOSA-N 0 0 533.141 7.331 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852545 571752896 /nfs/dbraw/zinc/75/28/96/571752896.db2.gz RJWALWONKKGIKA-ZWXJPIIXSA-N 0 0 596.200 7.521 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000260852679 571753402 /nfs/dbraw/zinc/75/34/02/571753402.db2.gz WUVZPDLPPWSFFP-ACHIHNKUSA-N 0 0 561.755 6.868 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000260852645 571753482 /nfs/dbraw/zinc/75/34/82/571753482.db2.gz VITVJWNDRVBHQG-URLMMPGGSA-N 0 0 525.722 6.547 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260852694 571753502 /nfs/dbraw/zinc/75/35/02/571753502.db2.gz YFTGVUNPHMUDIT-LOYHVIPDSA-N 0 0 574.194 6.985 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000225393584 571762372 /nfs/dbraw/zinc/76/23/72/571762372.db2.gz PNHOBFXBGUHPJZ-RRPNLBNLSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000225393325 571762511 /nfs/dbraw/zinc/76/25/11/571762511.db2.gz MBPYAGCFTRGTKA-KAYWLYCHSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225394805 571763904 /nfs/dbraw/zinc/76/39/04/571763904.db2.gz JRCQUGJKDJCHMZ-CLJLJLNGSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225394925 571764529 /nfs/dbraw/zinc/76/45/29/571764529.db2.gz JRCQUGJKDJCHMZ-UIOOFZCWSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225397782 571767644 /nfs/dbraw/zinc/76/76/44/571767644.db2.gz SAOBEWDJBAUBLO-UIOOFZCWSA-N 0 0 586.570 6.345 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397555 571767766 /nfs/dbraw/zinc/76/77/66/571767766.db2.gz XODCTZSMTAFCBX-XZWHSSHBSA-N 0 0 588.803 5.884 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225398258 571768374 /nfs/dbraw/zinc/76/83/74/571768374.db2.gz OUJZPEWDETZOIG-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225399055 571768860 /nfs/dbraw/zinc/76/88/60/571768860.db2.gz YLQRVQWPUSMLGK-LMSSTIIKSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225399202 571768900 /nfs/dbraw/zinc/76/89/00/571768900.db2.gz PYVSHXKQUDZMJR-SXOMAYOGSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000225417996 571785363 /nfs/dbraw/zinc/78/53/63/571785363.db2.gz DBMUARHQNJUUIN-SXOMAYOGSA-N 0 0 598.194 5.924 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225420884 571788496 /nfs/dbraw/zinc/78/84/96/571788496.db2.gz YFJJSIFPEIXQFZ-SVBPBHIXSA-N 0 0 598.150 5.405 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NS(C)(=O)=O ZINC000225424312 571790508 /nfs/dbraw/zinc/79/05/08/571790508.db2.gz NBZLDMRXCCAYPK-RRPNLBNLSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428614 571795840 /nfs/dbraw/zinc/79/58/40/571795840.db2.gz LWVSEYUMUUUXQH-SXOMAYOGSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429754 571797530 /nfs/dbraw/zinc/79/75/30/571797530.db2.gz ZAXIGLCVAKGPII-XRKRLSELSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225446155 571817992 /nfs/dbraw/zinc/81/79/92/571817992.db2.gz BYCQSQJZDHGYKZ-JSOSNVBQSA-N 0 0 616.813 5.183 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225449540 571821321 /nfs/dbraw/zinc/82/13/21/571821321.db2.gz JOLUPOFYPGBCJK-RRPNLBNLSA-N 0 0 582.151 5.705 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225449503 571821460 /nfs/dbraw/zinc/82/14/60/571821460.db2.gz JOLUPOFYPGBCJK-SXOMAYOGSA-N 0 0 582.151 5.705 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225453595 571825041 /nfs/dbraw/zinc/82/50/41/571825041.db2.gz KZCQOJZFUGYRME-WDYNHAJCSA-N 0 0 559.761 5.909 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225453397 571825100 /nfs/dbraw/zinc/82/51/00/571825100.db2.gz COQGIBGNXRPPOH-FQLXRVMXSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225456720 571828214 /nfs/dbraw/zinc/82/82/14/571828214.db2.gz JMYLMSYVQXULFT-SVBPBHIXSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225457370 571829190 /nfs/dbraw/zinc/82/91/90/571829190.db2.gz RQVCQKVTSDQQCG-FQLXRVMXSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225457476 571829200 /nfs/dbraw/zinc/82/92/00/571829200.db2.gz RQVCQKVTSDQQCG-VMPREFPWSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225457828 571829596 /nfs/dbraw/zinc/82/95/96/571829596.db2.gz BNFQILAUPOFFML-WUFINQPMSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225457701 571829599 /nfs/dbraw/zinc/82/95/99/571829599.db2.gz PYQSPIQSODJCKD-JDXGNMNLSA-N 0 0 573.788 6.271 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225457768 571829616 /nfs/dbraw/zinc/82/96/16/571829616.db2.gz QIIMDCNKZAUTBG-NSOVKSMOSA-N 0 0 580.179 6.308 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225457816 571829626 /nfs/dbraw/zinc/82/96/26/571829626.db2.gz BNFQILAUPOFFML-IZLXSDGUSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225458046 571829964 /nfs/dbraw/zinc/82/99/64/571829964.db2.gz PYSPAFDZTFLASI-VSGBNLITSA-N 0 0 580.179 6.308 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225457933 571830020 /nfs/dbraw/zinc/83/00/20/571830020.db2.gz HMUYKADKVZTTNZ-IZLXSDGUSA-N 0 0 606.730 5.263 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458712 571830636 /nfs/dbraw/zinc/83/06/36/571830636.db2.gz UEKJLGZGAVJQCC-MFMCTBQISA-N 0 0 573.788 6.217 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ncccc1C ZINC000225459047 571831073 /nfs/dbraw/zinc/83/10/73/571831073.db2.gz MRBOCRMCRYBPRJ-UIOOFZCWSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225459208 571831113 /nfs/dbraw/zinc/83/11/13/571831113.db2.gz UZYTXXZGXLAKOZ-SVBPBHIXSA-N 0 0 546.722 5.050 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000260909822 571836569 /nfs/dbraw/zinc/83/65/69/571836569.db2.gz ADOMMSHWQMRIAH-BAVULBIOSA-N 0 0 620.694 8.680 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000225468219 571839347 /nfs/dbraw/zinc/83/93/47/571839347.db2.gz IITHIACCXDQNMO-RRPNLBNLSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NS(C)(=O)=O ZINC000225472330 571842454 /nfs/dbraw/zinc/84/24/54/571842454.db2.gz XCRUSCUGJQLYCK-KAYWLYCHSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NS(C)(=O)=O ZINC000225479064 571849004 /nfs/dbraw/zinc/84/90/04/571849004.db2.gz HGOKHUGEUDXCQC-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NS(C)(=O)=O ZINC000225479481 571849380 /nfs/dbraw/zinc/84/93/80/571849380.db2.gz ZKFDRJFXWVTHGB-SVBPBHIXSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225479285 571849627 /nfs/dbraw/zinc/84/96/27/571849627.db2.gz HQYHRACHLYSKDD-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225479624 571849940 /nfs/dbraw/zinc/84/99/40/571849940.db2.gz PLNPUKWOWVJSRQ-FQLXRVMXSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NS(C)(=O)=O ZINC000225479546 571850065 /nfs/dbraw/zinc/85/00/65/571850065.db2.gz ZKFDRJFXWVTHGB-RRPNLBNLSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480302 571850477 /nfs/dbraw/zinc/85/04/77/571850477.db2.gz UNWVDXGBZWTDFM-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480746 571850966 /nfs/dbraw/zinc/85/09/66/571850966.db2.gz YXVRFBYEQBCBIV-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NS(C)(=O)=O ZINC000225481065 571851244 /nfs/dbraw/zinc/85/12/44/571851244.db2.gz WKARQMOPCBQUHS-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481141 571851685 /nfs/dbraw/zinc/85/16/85/571851685.db2.gz CVAKFCNPKGDOKI-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21 ZINC000260918232 571852391 /nfs/dbraw/zinc/85/23/91/571852391.db2.gz LKIMJHQFNJLDRA-LOSJGSFVSA-N 0 0 509.506 7.197 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225482923 571853485 /nfs/dbraw/zinc/85/34/85/571853485.db2.gz HMUUOZCLKOQRAM-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NS(C)(=O)=O ZINC000225482977 571853551 /nfs/dbraw/zinc/85/35/51/571853551.db2.gz QNBPRBMNFPNRAZ-YTMVLYRLSA-N 0 0 575.760 5.663 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21 ZINC000260919544 571853617 /nfs/dbraw/zinc/85/36/17/571853617.db2.gz MBPHZYYOCQMOAW-NSOVKSMOSA-N 0 0 532.157 6.841 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21 ZINC000260919547 571853635 /nfs/dbraw/zinc/85/36/35/571853635.db2.gz MBPHZYYOCQMOAW-WUFINQPMSA-N 0 0 532.157 6.841 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225483104 571853813 /nfs/dbraw/zinc/85/38/13/571853813.db2.gz TYOPADAZRTVFPF-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225483158 571853845 /nfs/dbraw/zinc/85/38/45/571853845.db2.gz TYOPADAZRTVFPF-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225484536 571855290 /nfs/dbraw/zinc/85/52/90/571855290.db2.gz NHXQNUMZSNQJML-DGPALRBDSA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000260920995 571856083 /nfs/dbraw/zinc/85/60/83/571856083.db2.gz OBNBZSSLZQAVTP-SMTPQVMYSA-N 0 0 620.650 8.161 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000260921277 571856929 /nfs/dbraw/zinc/85/69/29/571856929.db2.gz PDZBXFLVLLLCGC-BJRLVXNYSA-N 0 0 620.266 8.955 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260922576 571859207 /nfs/dbraw/zinc/85/92/07/571859207.db2.gz QCEFGWNWQHHTAT-CONSDPRKSA-N 0 0 567.158 8.336 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000260922608 571859821 /nfs/dbraw/zinc/85/98/21/571859821.db2.gz QLSQHPRVRUCENB-BAGWDXEUSA-N 0 0 588.196 7.941 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21 ZINC000260922605 571859871 /nfs/dbraw/zinc/85/98/71/571859871.db2.gz QKWMVUYVKGEQNO-SVBPBHIXSA-N 0 0 518.130 6.610 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260925502 571864539 /nfs/dbraw/zinc/86/45/39/571864539.db2.gz UQYDDEDSZIYERY-IZZNHLLZSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000260925501 571864615 /nfs/dbraw/zinc/86/46/15/571864615.db2.gz UQYDDEDSZIYERY-CLJLJLNGSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260926991 571867962 /nfs/dbraw/zinc/86/79/62/571867962.db2.gz XQPXAQXXBFNCHK-CLJLJLNGSA-N 0 0 505.087 6.552 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)n1-c1ccccc1 ZINC000260927081 571868033 /nfs/dbraw/zinc/86/80/33/571868033.db2.gz YCDCWVFOFKBFNT-UUHNBFBXSA-N 0 0 556.179 7.494 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260927149 571868581 /nfs/dbraw/zinc/86/85/81/571868581.db2.gz YKDOBJKMDIEDGV-URLMMPGGSA-N 0 0 525.722 5.727 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225504936 571875196 /nfs/dbraw/zinc/87/51/96/571875196.db2.gz VZGWFVFQLROIEA-SXOMAYOGSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225505130 571875485 /nfs/dbraw/zinc/87/54/85/571875485.db2.gz OPIALAFEEXEKJK-RRPNLBNLSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225505391 571876078 /nfs/dbraw/zinc/87/60/78/571876078.db2.gz NUOQOVWHYMWOPT-SXOMAYOGSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225507431 571878525 /nfs/dbraw/zinc/87/85/25/571878525.db2.gz BGMKTZNUQAZWLD-FQLXRVMXSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225508002 571879117 /nfs/dbraw/zinc/87/91/17/571879117.db2.gz MMHOZCBAOMXWTE-PQHLKRTFSA-N 0 0 523.706 6.026 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508382 571879532 /nfs/dbraw/zinc/87/95/32/571879532.db2.gz BYQOSUXODIOCCH-WUFINQPMSA-N 0 0 556.648 5.017 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225508469 571879565 /nfs/dbraw/zinc/87/95/65/571879565.db2.gz ZNYJKTFHGDIXNZ-VSGBNLITSA-N 0 0 556.648 5.017 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509124 571880405 /nfs/dbraw/zinc/88/04/05/571880405.db2.gz SWQOSSJOEBBVJR-WUFINQPMSA-N 0 0 556.648 5.017 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509202 571880431 /nfs/dbraw/zinc/88/04/31/571880431.db2.gz SGLIGKHFBGAZCL-PQHLKRTFSA-N 0 0 523.706 5.971 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225527389 571894016 /nfs/dbraw/zinc/89/40/16/571894016.db2.gz SONIYCMQNHWURT-AJQTZOPKSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C ZINC000225527785 571894511 /nfs/dbraw/zinc/89/45/11/571894511.db2.gz CZXYXLWJCVCKDX-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225528208 571894992 /nfs/dbraw/zinc/89/49/92/571894992.db2.gz UYSOQYBCTXPRHB-LOYHVIPDSA-N 0 0 523.706 6.053 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225529172 571895908 /nfs/dbraw/zinc/89/59/08/571895908.db2.gz MTEVXVFFYBVFNG-VSGBNLITSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225529275 571895973 /nfs/dbraw/zinc/89/59/73/571895973.db2.gz TYUDALMSSFSFOC-IZLXSDGUSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O ZINC000225529398 571896542 /nfs/dbraw/zinc/89/65/42/571896542.db2.gz AZELFJURCTZRKZ-WUFINQPMSA-N 0 0 511.651 5.196 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225530084 571896804 /nfs/dbraw/zinc/89/68/04/571896804.db2.gz RBFYQGBKFORTAE-KYJUHHDHSA-N 0 0 538.721 5.556 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225530584 571897345 /nfs/dbraw/zinc/89/73/45/571897345.db2.gz MBTWPQVUCZNEOV-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225531028 571897690 /nfs/dbraw/zinc/89/76/90/571897690.db2.gz JHMAZXLRDDJYHM-VEEOACQBSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225530859 571897784 /nfs/dbraw/zinc/89/77/84/571897784.db2.gz DEVQWPWVBQGESX-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531245 571898348 /nfs/dbraw/zinc/89/83/48/571898348.db2.gz FRSMQUZKQNWICC-WDYNHAJCSA-N 0 0 570.675 5.407 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ncccc1C ZINC000225532187 571898933 /nfs/dbraw/zinc/89/89/33/571898933.db2.gz NQBKPZAORCYJNY-KAYWLYCHSA-N 0 0 510.667 5.194 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225539508 571904970 /nfs/dbraw/zinc/90/49/70/571904970.db2.gz MSNYMSSTYUFCPQ-VSGBNLITSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225539898 571905306 /nfs/dbraw/zinc/90/53/06/571905306.db2.gz IWZRXSGLSCXVQJ-VMPREFPWSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225542488 571907340 /nfs/dbraw/zinc/90/73/40/571907340.db2.gz XVGLUQITADCVPC-SZAHLOSFSA-N 0 0 608.812 5.889 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225548508 571911440 /nfs/dbraw/zinc/91/14/40/571911440.db2.gz HXIWYUYNIVQZNE-XZWHSSHBSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225550033 571912658 /nfs/dbraw/zinc/91/26/58/571912658.db2.gz HKONKJUTMLTGNX-KYJUHHDHSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225550105 571912700 /nfs/dbraw/zinc/91/27/00/571912700.db2.gz HKONKJUTMLTGNX-XZWHSSHBSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000225550554 571913100 /nfs/dbraw/zinc/91/31/00/571913100.db2.gz SIUCWLGJXCNRMX-FIRIVFDPSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000225550519 571913260 /nfs/dbraw/zinc/91/32/60/571913260.db2.gz SIUCWLGJXCNRMX-IOWSJCHKSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225551580 571914566 /nfs/dbraw/zinc/91/45/66/571914566.db2.gz BMLFITIYXZRABH-LOYHVIPDSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225552675 571915904 /nfs/dbraw/zinc/91/59/04/571915904.db2.gz LZUWZTAJBIFTMX-IOWSJCHKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000225553472 571916200 /nfs/dbraw/zinc/91/62/00/571916200.db2.gz BNWAUBXEGNABKE-VTIYRKAUSA-N 0 0 565.787 6.924 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225553795 571916419 /nfs/dbraw/zinc/91/64/19/571916419.db2.gz ROOFUQUETDTCFS-URLMMPGGSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225553961 571916465 /nfs/dbraw/zinc/91/64/65/571916465.db2.gz QEJUQEQTOBIDAC-LOYHVIPDSA-N 0 0 538.721 5.756 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225564484 571926425 /nfs/dbraw/zinc/92/64/25/571926425.db2.gz YOIMMBSWBFTIBU-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000225569556 571931335 /nfs/dbraw/zinc/93/13/35/571931335.db2.gz VQRHAHXYUNBUOT-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000225571130 571932397 /nfs/dbraw/zinc/93/23/97/571932397.db2.gz GAHOEESZOJCAGU-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1O ZINC000225571533 571932850 /nfs/dbraw/zinc/93/28/50/571932850.db2.gz NJEYUYJAJPTRAL-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1O ZINC000225571558 571932868 /nfs/dbraw/zinc/93/28/68/571932868.db2.gz NJEYUYJAJPTRAL-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225572697 571934097 /nfs/dbraw/zinc/93/40/97/571934097.db2.gz OFTKLQNHKVZNGN-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225572865 571934125 /nfs/dbraw/zinc/93/41/25/571934125.db2.gz QLJDRNNFMALNAE-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574481 571935131 /nfs/dbraw/zinc/93/51/31/571935131.db2.gz LDVRSMGIQKBIGT-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574508 571935158 /nfs/dbraw/zinc/93/51/58/571935158.db2.gz LDVRSMGIQKBIGT-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225584599 571943165 /nfs/dbraw/zinc/94/31/65/571943165.db2.gz RQBOCZUNICNQSV-IZLXSDGUSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000225586152 571944340 /nfs/dbraw/zinc/94/43/40/571944340.db2.gz WLEXCXNLMDVFKF-SVBPBHIXSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225590313 571946752 /nfs/dbraw/zinc/94/67/52/571946752.db2.gz BMFUSMCMSPWUQJ-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225591203 571947246 /nfs/dbraw/zinc/94/72/46/571947246.db2.gz MWXYEBZUFBQEEK-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000225591034 571947363 /nfs/dbraw/zinc/94/73/63/571947363.db2.gz XNRCHGPQPNRLOK-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225592538 571948531 /nfs/dbraw/zinc/94/85/31/571948531.db2.gz HPOSFITVOONIBY-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225594005 571949492 /nfs/dbraw/zinc/94/94/92/571949492.db2.gz BRYNLKNARSGZPN-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225594137 571949590 /nfs/dbraw/zinc/94/95/90/571949590.db2.gz GUTIHICPBLKKOF-WDYNHAJCSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1c(C)cccc1C ZINC000225593840 571949669 /nfs/dbraw/zinc/94/96/69/571949669.db2.gz CZSMPFPVTLCUQX-PQHLKRTFSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225595410 571950654 /nfs/dbraw/zinc/95/06/54/571950654.db2.gz BXBBAUYFSXRIKH-WUFINQPMSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225595573 571950820 /nfs/dbraw/zinc/95/08/20/571950820.db2.gz IIGUBJGGIUFVHM-WUFINQPMSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225603395 571957038 /nfs/dbraw/zinc/95/70/38/571957038.db2.gz RBZPHSRTGHSIES-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225603310 571957183 /nfs/dbraw/zinc/95/71/83/571957183.db2.gz QBMAVCZJAGVGCO-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225603363 571957247 /nfs/dbraw/zinc/95/72/47/571957247.db2.gz QBMAVCZJAGVGCO-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1O ZINC000225608918 571961030 /nfs/dbraw/zinc/96/10/30/571961030.db2.gz FEZJKDQQHXLSRV-WUFINQPMSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cc1 ZINC000225610914 571962932 /nfs/dbraw/zinc/96/29/32/571962932.db2.gz FTGMKNGULKECHD-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1 ZINC000225611938 571963733 /nfs/dbraw/zinc/96/37/33/571963733.db2.gz MLAZZUAOTCUCDK-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000225611727 571963744 /nfs/dbraw/zinc/96/37/44/571963744.db2.gz JVLIAGXPFSNWTC-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(O)cc1 ZINC000225612603 571964164 /nfs/dbraw/zinc/96/41/64/571964164.db2.gz ZRYKLPCWHVDHIL-IZLXSDGUSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1O ZINC000225612460 571964204 /nfs/dbraw/zinc/96/42/04/571964204.db2.gz CYTJJVKBAWBSQU-VSGBNLITSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225613345 571964742 /nfs/dbraw/zinc/96/47/42/571964742.db2.gz SLWZNZVEJJGSBW-IHLOFXLRSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)cc(C)c1 ZINC000225614269 571965535 /nfs/dbraw/zinc/96/55/35/571965535.db2.gz SLMGOJFBKYAALH-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1C ZINC000225615074 571965931 /nfs/dbraw/zinc/96/59/31/571965931.db2.gz LQFNITZBXLIOHQ-URLMMPGGSA-N 0 0 562.114 6.591 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccn1 ZINC000225615674 571966264 /nfs/dbraw/zinc/96/62/64/571966264.db2.gz RUJYEZXWNSTBML-IZLXSDGUSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225622322 571972936 /nfs/dbraw/zinc/97/29/36/571972936.db2.gz OKICZPVZYFGOQA-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000225625046 571976596 /nfs/dbraw/zinc/97/65/96/571976596.db2.gz GZJCLAHPOHXAIL-KYJUHHDHSA-N 0 0 539.749 6.331 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225629346 571981339 /nfs/dbraw/zinc/98/13/39/571981339.db2.gz RVSILIYDJFXCPJ-ACHIHNKUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225629296 571981524 /nfs/dbraw/zinc/98/15/24/571981524.db2.gz RVSILIYDJFXCPJ-ZWXJPIIXSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225629410 571981526 /nfs/dbraw/zinc/98/15/26/571981526.db2.gz KQSBAXSXJAOECB-ZWXJPIIXSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Cl ZINC000225629825 571981889 /nfs/dbraw/zinc/98/18/89/571981889.db2.gz GQJIMSOXWLRRNV-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225630700 571982816 /nfs/dbraw/zinc/98/28/16/571982816.db2.gz JABYQRBTWIIPOP-IOWSJCHKSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225631577 571983760 /nfs/dbraw/zinc/98/37/60/571983760.db2.gz GQHBUYRKXWOYAS-XZWHSSHBSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225631602 571983838 /nfs/dbraw/zinc/98/38/38/571983838.db2.gz GQHBUYRKXWOYAS-KYJUHHDHSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225632169 571984183 /nfs/dbraw/zinc/98/41/83/571984183.db2.gz XPOAGARNPGKMAX-ZQWAWDFXSA-N 0 0 565.787 7.033 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632941 571984943 /nfs/dbraw/zinc/98/49/43/571984943.db2.gz PWWJYWRQXZTCLL-FIRIVFDPSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000225643199 571992760 /nfs/dbraw/zinc/99/27/60/571992760.db2.gz UBKAVVFTIAPYJU-VSGBNLITSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225646805 571995698 /nfs/dbraw/zinc/99/56/98/571995698.db2.gz IDRMIFVEWGJAPD-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225647298 571996052 /nfs/dbraw/zinc/99/60/52/571996052.db2.gz PRNMYQYHFPNYDU-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225647963 571996926 /nfs/dbraw/zinc/99/69/26/571996926.db2.gz VRGDKUMLCLDIBZ-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225648194 571996930 /nfs/dbraw/zinc/99/69/30/571996930.db2.gz MKBMYTVYQHMEJU-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225649232 571998167 /nfs/dbraw/zinc/99/81/67/571998167.db2.gz UCUQYIHEALMSQU-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225649802 571998413 /nfs/dbraw/zinc/99/84/13/571998413.db2.gz MZZZUBHIXOKLEW-LOYHVIPDSA-N 0 0 553.688 5.528 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225650236 571999031 /nfs/dbraw/zinc/99/90/31/571999031.db2.gz OTDPRTCIDDGQGH-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225660526 572005728 /nfs/dbraw/zinc/00/57/28/572005728.db2.gz IZFPDNYWJWFAFY-JHOUSYSJSA-N 0 0 610.784 5.336 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225663075 572007464 /nfs/dbraw/zinc/00/74/64/572007464.db2.gz IVVNIABWODWBFO-VMPREFPWSA-N 0 0 576.122 5.858 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225665601 572009130 /nfs/dbraw/zinc/00/91/30/572009130.db2.gz LXKIVUABNVFZFW-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225666695 572009328 /nfs/dbraw/zinc/00/93/28/572009328.db2.gz AKDGMHHBCYVFDA-FQLXRVMXSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225666368 572009360 /nfs/dbraw/zinc/00/93/60/572009360.db2.gz GEBGVPIHOYPGGA-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225666854 572009396 /nfs/dbraw/zinc/00/93/96/572009396.db2.gz DEQZSALWPJEJEH-VMPREFPWSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225667039 572009412 /nfs/dbraw/zinc/00/94/12/572009412.db2.gz YRXYSNUMLHDHOG-URLMMPGGSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225666574 572009463 /nfs/dbraw/zinc/00/94/63/572009463.db2.gz GNIJGCDRHGLBRH-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668405 572010296 /nfs/dbraw/zinc/01/02/96/572010296.db2.gz JWNUXELSCLSRIP-SAIUNTKASA-N 0 0 596.801 6.345 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225668270 572010381 /nfs/dbraw/zinc/01/03/81/572010381.db2.gz XPJPUSREMVNERQ-JSOSNVBQSA-N 0 0 568.747 5.565 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225669074 572010701 /nfs/dbraw/zinc/01/07/01/572010701.db2.gz DOFDZIUPULVBMJ-IGYGKHONSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225669024 572010727 /nfs/dbraw/zinc/01/07/27/572010727.db2.gz DOFDZIUPULVBMJ-SMCANUKXSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225668988 572010745 /nfs/dbraw/zinc/01/07/45/572010745.db2.gz SOTQWBLQZVZDPI-FIRIVFDPSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225668827 572010841 /nfs/dbraw/zinc/01/08/41/572010841.db2.gz YPIABXYZLMLAJT-IOWSJCHKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225669702 572011190 /nfs/dbraw/zinc/01/11/90/572011190.db2.gz KGXGASRFFBAZSO-XZWHSSHBSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225669183 572011220 /nfs/dbraw/zinc/01/12/20/572011220.db2.gz ZITFNPYQDUTKBS-JSOSNVBQSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225669214 572011260 /nfs/dbraw/zinc/01/12/60/572011260.db2.gz ZITFNPYQDUTKBS-IOWSJCHKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225669480 572011292 /nfs/dbraw/zinc/01/12/92/572011292.db2.gz ADWDYRXCYIKMBL-XDFJSJKPSA-N 0 0 567.759 6.424 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225669976 572011607 /nfs/dbraw/zinc/01/16/07/572011607.db2.gz BPKPNVVJSYOLAT-LOYHVIPDSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225680307 572018270 /nfs/dbraw/zinc/01/82/70/572018270.db2.gz ONADHEWGTNDEGN-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225685622 572022091 /nfs/dbraw/zinc/02/20/91/572022091.db2.gz LPXJQVJXQFIEJK-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225685929 572022421 /nfs/dbraw/zinc/02/24/21/572022421.db2.gz ACBLJWOLZUOLFV-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225686179 572022894 /nfs/dbraw/zinc/02/28/94/572022894.db2.gz CQCWWIUTDWPXMN-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689138 572024776 /nfs/dbraw/zinc/02/47/76/572024776.db2.gz AEOPTVHFMLZXHT-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225689600 572025340 /nfs/dbraw/zinc/02/53/40/572025340.db2.gz QMMLOOQJGQLXAZ-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225699116 572030243 /nfs/dbraw/zinc/03/02/43/572030243.db2.gz AIMXAWITSVARSF-AJQTZOPKSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000225704226 572034765 /nfs/dbraw/zinc/03/47/65/572034765.db2.gz XOWGRHYCKHSCOE-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000225704286 572035202 /nfs/dbraw/zinc/03/52/02/572035202.db2.gz SHHHSGIMPQCALI-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1O ZINC000225705737 572036177 /nfs/dbraw/zinc/03/61/77/572036177.db2.gz RAOWHXFMEDJPJI-ZWXJPIIXSA-N 0 0 561.711 6.349 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225706045 572036328 /nfs/dbraw/zinc/03/63/28/572036328.db2.gz DGKCCZXTUMKLHV-LQJZCPKCSA-N 0 0 575.738 6.652 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c([N+](=O)[O-])c1 ZINC000225707917 572038130 /nfs/dbraw/zinc/03/81/30/572038130.db2.gz GARBKZJKUOOEAS-CZNDPXEESA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1C ZINC000225707696 572038148 /nfs/dbraw/zinc/03/81/48/572038148.db2.gz WCOMBUPZNOIIAE-CZNDPXEESA-N 0 0 594.184 7.605 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708411 572038585 /nfs/dbraw/zinc/03/85/85/572038585.db2.gz FFGLEJOGIKOEAY-SAIUNTKASA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ncccc1C ZINC000225708721 572038904 /nfs/dbraw/zinc/03/89/04/572038904.db2.gz GFEYGCIYIADRRZ-FIRIVFDPSA-N 0 0 560.727 6.347 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225715381 572044122 /nfs/dbraw/zinc/04/41/22/572044122.db2.gz ZSMZVRLVXKRLGF-ZWXJPIIXSA-N 0 0 561.711 6.344 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225715628 572044158 /nfs/dbraw/zinc/04/41/58/572044158.db2.gz ABIGLYFTDOJLNZ-SAIUNTKASA-N 0 0 603.748 6.430 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225715655 572044174 /nfs/dbraw/zinc/04/41/74/572044174.db2.gz ABIGLYFTDOJLNZ-JHOUSYSJSA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000225839196 572075205 /nfs/dbraw/zinc/07/52/05/572075205.db2.gz MTNGVPWILBXFSD-NRFANRHFSA-N 0 0 501.696 6.099 40 10 KKCBRN CC1CCN(c2cc(N3CCC(C)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952389 572086366 /nfs/dbraw/zinc/08/63/66/572086366.db2.gz HPUOHOGOBGKAOI-UHFFFAOYSA-N 0 0 507.752 5.036 40 10 KKCBRN C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953990 572086424 /nfs/dbraw/zinc/08/64/24/572086424.db2.gz DDGAHGGFNLTXAS-OAQYLSRUSA-N 0 0 502.688 5.592 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953838 572086468 /nfs/dbraw/zinc/08/64/68/572086468.db2.gz QIRRGBOXQYULPD-YADHBBJMSA-N 0 0 507.752 5.179 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954086 572086525 /nfs/dbraw/zinc/08/65/25/572086525.db2.gz CWCCKPRDMCHZNA-JOCHJYFZSA-N 0 0 507.752 5.323 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCc3ccccc3C2)cc(N2CCc3ccccc3C2)n1 ZINC000225954364 572087014 /nfs/dbraw/zinc/08/70/14/572087014.db2.gz SOLGUQOGTMTTHS-UHFFFAOYSA-N 0 0 575.786 5.689 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCCC2)n1 ZINC000225954473 572087102 /nfs/dbraw/zinc/08/71/02/572087102.db2.gz PMLAGKAMGFOPEH-UHFFFAOYSA-N 0 0 527.742 5.464 40 10 KKCBRN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263597892 572128138 /nfs/dbraw/zinc/12/81/38/572128138.db2.gz HHBUXHGNFGUEFR-QREYOABZSA-N 0 0 816.945 6.044 40 10 KKCBRN COC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cccc1OC ZINC000408529474 572168316 /nfs/dbraw/zinc/16/83/16/572168316.db2.gz HXTIMKOFSYYEKO-LZYBPNLTSA-N 0 0 528.833 5.069 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)cc1 ZINC000408535534 572188772 /nfs/dbraw/zinc/18/87/72/572188772.db2.gz TVTMYIUFTKYAJN-KQWNVCNZSA-N 0 0 541.029 5.267 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(C(C)(C)C)c1O ZINC000408536217 572190628 /nfs/dbraw/zinc/19/06/28/572190628.db2.gz YSDQFKXLLRQIMR-UUYOSTAYSA-N 0 0 526.768 6.436 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc(C)c(C)cc1Br ZINC000408537186 572193602 /nfs/dbraw/zinc/19/36/02/572193602.db2.gz ZKXXBOHWJNGOCZ-XYGWBWBKSA-N 0 0 518.499 7.252 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538344 572197993 /nfs/dbraw/zinc/19/79/93/572197993.db2.gz LIAAATOJFSQFCL-UHFFFAOYSA-N 0 0 747.642 8.988 40 10 KKCBRN COc1cc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2Br)ccc1OCc1ccccc1 ZINC000408539203 572200984 /nfs/dbraw/zinc/20/09/84/572200984.db2.gz FQRWEUOMUZPASP-YSMPRRRNSA-N 0 0 662.378 8.184 40 10 KKCBRN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(NC=C3C(=O)N(c4ccc(Br)c(C)c4)N=C3C)cc1)CCCC2 ZINC000408539171 572201029 /nfs/dbraw/zinc/20/10/29/572201029.db2.gz UNIHNDMNOBCJAW-KQWNVCNZSA-N 0 0 621.557 6.845 40 10 KKCBRN COc1cc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2Cl)ccc1OCc1ccccc1 ZINC000408539338 572201451 /nfs/dbraw/zinc/20/14/51/572201451.db2.gz GVIAIOZNZBTAOI-YSMPRRRNSA-N 0 0 573.476 7.966 40 10 KKCBRN CCOc1cc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)ccc1OCc1ccccc1 ZINC000408540546 572206234 /nfs/dbraw/zinc/20/62/34/572206234.db2.gz TWNKRNKSUCKXRV-CEUNXORHSA-N 0 0 548.639 7.058 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540824 572206902 /nfs/dbraw/zinc/20/69/02/572206902.db2.gz WEOUPEPZPIUUNM-CVKSISIWSA-N 0 0 611.514 6.121 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541495 572208928 /nfs/dbraw/zinc/20/89/28/572208928.db2.gz ZSOFZQSAXWLKPY-MFKUBSTISA-N 0 0 507.633 5.741 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549948 572232729 /nfs/dbraw/zinc/23/27/29/572232729.db2.gz AAMSVTKVTGYVKY-FRKPEAEDSA-N 0 0 517.843 5.552 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408549930 572232721 /nfs/dbraw/zinc/23/27/21/572232721.db2.gz BSEWHZNAELJGNN-VULFUBBASA-N 0 0 584.525 6.639 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551063 572235351 /nfs/dbraw/zinc/23/53/51/572235351.db2.gz JIQQTNGRCOOZRF-UCQKPKSFSA-N 0 0 698.344 7.459 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408552592 572238639 /nfs/dbraw/zinc/23/86/39/572238639.db2.gz KCZXYGMXUDDCOV-UHFFFAOYSA-N 0 0 620.876 7.248 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000408571906 572257464 /nfs/dbraw/zinc/25/74/64/572257464.db2.gz DEOFKGWUWQFZCL-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000408572052 572257543 /nfs/dbraw/zinc/25/75/43/572257543.db2.gz DZSXYSSPOXISPS-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000408572058 572257549 /nfs/dbraw/zinc/25/75/49/572257549.db2.gz FBBUUEDERMVJOO-JLPGSUDCSA-N 0 0 504.633 5.186 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408572780 572258131 /nfs/dbraw/zinc/25/81/31/572258131.db2.gz IFVKGTZKRWMFSA-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000408573257 572258602 /nfs/dbraw/zinc/25/86/02/572258602.db2.gz JMIPOPBETTUKFU-QQXSKIMKSA-N 0 0 532.687 6.121 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cccc3C)SC2=S)cc1 ZINC000408574286 572259486 /nfs/dbraw/zinc/25/94/86/572259486.db2.gz LMVAOWUFGMPYKH-HAHDFKILSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000408574358 572259511 /nfs/dbraw/zinc/25/95/11/572259511.db2.gz LZHDQZAIVUQEMV-IWIPYMOSSA-N 0 0 599.528 6.280 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(Cl)c1Cl ZINC000408574685 572259819 /nfs/dbraw/zinc/25/98/19/572259819.db2.gz MGRHJZRBGPZEMJ-NDENLUEZSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408574670 572259861 /nfs/dbraw/zinc/25/98/61/572259861.db2.gz MGACNCJJWFSXCY-MYYYXRDXSA-N 0 0 627.582 6.897 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408574767 572259865 /nfs/dbraw/zinc/25/98/65/572259865.db2.gz MQCPKAHVGNDVSP-QRVIBDJDSA-N 0 0 558.603 6.133 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)SC2=S)cc1 ZINC000408574741 572259876 /nfs/dbraw/zinc/25/98/76/572259876.db2.gz CNXUHVTUYWZDMU-IWIPYMOSSA-N 0 0 502.661 6.344 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408574902 572259990 /nfs/dbraw/zinc/25/99/90/572259990.db2.gz GBCUBYQJADOQCP-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cccc3C)SC2=S)cc1 ZINC000408576026 572260973 /nfs/dbraw/zinc/26/09/73/572260973.db2.gz QJJMVMVLHYFCKP-JLPGSUDCSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408576551 572261357 /nfs/dbraw/zinc/26/13/57/572261357.db2.gz WQCAEVPCQPYLFZ-OYKKKHCWSA-N 0 0 597.556 6.806 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408577433 572262004 /nfs/dbraw/zinc/26/20/04/572262004.db2.gz SNYULLVLWKMGCP-QRVIBDJDSA-N 0 0 603.947 6.843 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000408577824 572262402 /nfs/dbraw/zinc/26/24/02/572262402.db2.gz UOFACKOIYDEDGH-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000408577846 572262413 /nfs/dbraw/zinc/26/24/13/572262413.db2.gz UUGGZVSITZCQNP-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000408577868 572262420 /nfs/dbraw/zinc/26/24/20/572262420.db2.gz VCCIXUUUTPCYQJ-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c1 ZINC000408577892 572262442 /nfs/dbraw/zinc/26/24/42/572262442.db2.gz VLXLKZXXTNQVBJ-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c(C)c1 ZINC000408578305 572262921 /nfs/dbraw/zinc/26/29/21/572262921.db2.gz XIPKKGWOSWYYQJ-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000408578404 572263054 /nfs/dbraw/zinc/26/30/54/572263054.db2.gz YCRKAFHTLBZZSW-XKZIYDEJSA-N 0 0 603.947 6.530 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000408578535 572263168 /nfs/dbraw/zinc/26/31/68/572263168.db2.gz YMTDWPBPXMZSNA-UCQKPKSFSA-N 0 0 553.503 6.176 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1C ZINC000408578549 572263252 /nfs/dbraw/zinc/26/32/52/572263252.db2.gz YQIZHNBLFYCDTD-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408604624 572274074 /nfs/dbraw/zinc/27/40/74/572274074.db2.gz VTPSERIASRMFBN-JLPGSUDCSA-N 0 0 514.553 6.590 40 10 KKCBRN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)N(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000253577129 572300494 /nfs/dbraw/zinc/30/04/94/572300494.db2.gz WRKGKFFSFJDRLJ-ZWXJPIIXSA-N 0 0 628.511 8.222 40 10 KKCBRN C[C@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656917 572306329 /nfs/dbraw/zinc/30/63/29/572306329.db2.gz MOMULPROGOJQDD-QVEWQGCQSA-N 0 0 633.531 7.552 40 10 KKCBRN C[C@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656912 572306336 /nfs/dbraw/zinc/30/63/36/572306336.db2.gz MOMULPROGOJQDD-LICYWOMESA-N 0 0 633.531 7.552 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408658545 572307275 /nfs/dbraw/zinc/30/72/75/572307275.db2.gz OFDIXOGSXFZTFJ-LYETXEKBSA-N 0 0 709.629 8.775 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408663271 572309933 /nfs/dbraw/zinc/30/99/33/572309933.db2.gz HHEIKCSCPVATCN-UHFFFAOYSA-N 0 0 561.432 6.685 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408667922 572313067 /nfs/dbraw/zinc/31/30/67/572313067.db2.gz SEBDYEPCDWJLJS-UHFFFAOYSA-N 0 0 516.981 6.576 40 10 KKCBRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc(C)c1Br ZINC000408669684 572314169 /nfs/dbraw/zinc/31/41/69/572314169.db2.gz YDUSIQABZJOHML-UHFFFAOYSA-N 0 0 589.486 7.302 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260572428 572322716 /nfs/dbraw/zinc/32/27/16/572322716.db2.gz VHNBBMKYUVXBHS-SUVVMJBMSA-N 0 0 513.501 7.186 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260746201 572325161 /nfs/dbraw/zinc/32/51/61/572325161.db2.gz UETDTSCPSQGRKL-ZCYQVOJMSA-N 0 0 533.738 5.997 40 10 KKCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccc(Br)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957615 1069690046 /nfs/dbraw/zinc/69/00/46/1069690046.db2.gz OPXDFCOAEMXMJN-CJLVFECKSA-N 0 0 646.548 5.453 40 10 KKCBRN Cc1c(N2C(=O)/C(=C\c3c(Oc4ccc(C)cc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097957621 1069690681 /nfs/dbraw/zinc/69/06/81/1069690681.db2.gz FAIDHGHSMFYWHU-JJIBRWJFSA-N 0 0 595.706 5.307 40 10 KKCBRN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S ZINC000102686758 1069706692 /nfs/dbraw/zinc/70/66/92/1069706692.db2.gz IZUQQPHNELCRLI-AFDYPQSWSA-N 0 0 519.736 7.356 40 10 KKCBRN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000102687024 1069706719 /nfs/dbraw/zinc/70/67/19/1069706719.db2.gz AZNLNWDDPPRJJJ-BUVRLJJBSA-N 0 0 501.608 6.088 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1Cl ZINC000102686472 1069706748 /nfs/dbraw/zinc/70/67/48/1069706748.db2.gz LMJRJYLKMCDIGC-JJIBRWJFSA-N 0 0 507.059 6.438 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1OC ZINC000102855037 1069707812 /nfs/dbraw/zinc/70/78/12/1069707812.db2.gz INKCBPHMOVZUCY-XKZIYDEJSA-N 0 0 520.459 6.715 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000103796057 1069713615 /nfs/dbraw/zinc/71/36/15/1069713615.db2.gz RIJLIAPYILNDDF-VYWUZABZSA-N 0 0 589.373 7.532 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000408727583 1069736271 /nfs/dbraw/zinc/73/62/71/1069736271.db2.gz QPCMCPVEQMXRIO-PVRPCFLFSA-N 0 0 538.334 8.374 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408881904 1069749962 /nfs/dbraw/zinc/74/99/62/1069749962.db2.gz OCIBBXHSNIRRRB-UHFFFAOYSA-N 0 0 534.637 6.331 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000408933631 1069758411 /nfs/dbraw/zinc/75/84/11/1069758411.db2.gz BDQMZNLWINMPDZ-LPYMAVHISA-N 0 0 572.830 6.728 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409132094 1069783257 /nfs/dbraw/zinc/78/32/57/1069783257.db2.gz LCMBJYVDLVDKPY-ONUIUJJFSA-N 0 0 517.119 7.349 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC1=S ZINC000409132286 1069783479 /nfs/dbraw/zinc/78/34/79/1069783479.db2.gz ZUDKLJKAAVLXPI-JMIUGGIZSA-N 0 0 521.889 5.953 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)SC2=S)cc1 ZINC000409134008 1069785320 /nfs/dbraw/zinc/78/53/20/1069785320.db2.gz VGLPOXGUHULQAO-QRQIAZFYSA-N 0 0 587.748 7.564 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S)c1ccccc1 ZINC000409182203 1069796891 /nfs/dbraw/zinc/79/68/91/1069796891.db2.gz JCDMVLSIKVIUPD-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184993 1069797564 /nfs/dbraw/zinc/79/75/64/1069797564.db2.gz ZWCRTBBLCNIEPB-DGWBYFALSA-N 0 0 766.747 9.364 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409345280 1069805793 /nfs/dbraw/zinc/80/57/93/1069805793.db2.gz KXZPEXQBCUZTOH-WGOQTCKBSA-N 0 0 594.527 8.125 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)S2)cc1 ZINC000408771575 1069871808 /nfs/dbraw/zinc/87/18/08/1069871808.db2.gz JJMBOVBFBHUWPS-ZDGAQAAHSA-N 0 0 543.474 6.169 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408777894 1069895985 /nfs/dbraw/zinc/89/59/85/1069895985.db2.gz LFOBYIJDYDHQAQ-WPGBELRESA-N 0 0 509.433 6.835 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)S2)cc1 ZINC000408785850 1069915718 /nfs/dbraw/zinc/91/57/18/1069915718.db2.gz IOGGAQLPVRRORP-IMUCPKNRSA-N 0 0 527.665 6.974 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408781755 1069916968 /nfs/dbraw/zinc/91/69/68/1069916968.db2.gz DIRPAWHNHCRPID-UHFFFAOYSA-N 0 0 630.438 6.462 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408786432 1069921696 /nfs/dbraw/zinc/92/16/96/1069921696.db2.gz PWIXSGNNURRTGL-SOJUGJLBSA-N 0 0 617.001 7.686 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408802615 1069944917 /nfs/dbraw/zinc/94/49/17/1069944917.db2.gz ZJSAPBDFZOHVSV-WMFHWYSXSA-N 0 0 519.134 8.110 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408805982 1069955155 /nfs/dbraw/zinc/95/51/55/1069955155.db2.gz DJGVUZMGAAADFZ-IKEWTAEESA-N 0 0 549.558 7.911 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408816338 1069972290 /nfs/dbraw/zinc/97/22/90/1069972290.db2.gz RNLVRFBKHKKQTC-ORVZPOCUSA-N 0 0 655.533 5.258 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408831451 1070021237 /nfs/dbraw/zinc/02/12/37/1070021237.db2.gz QUIREIBAMDJTHS-USDTVRPUSA-N 0 0 681.596 5.598 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408839590 1070041752 /nfs/dbraw/zinc/04/17/52/1070041752.db2.gz AUPRKAYMYLDBSI-WYEJZRMESA-N 0 0 575.728 8.279 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408847090 1070055252 /nfs/dbraw/zinc/05/52/52/1070055252.db2.gz PDSCYGNKARELIM-HRDPZVOISA-N 0 0 631.798 6.660 40 10 KKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408847197 1070055837 /nfs/dbraw/zinc/05/58/37/1070055837.db2.gz UDXGKMAQFSVANO-QGOAFFKASA-N 0 0 538.810 7.060 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408851527 1070066433 /nfs/dbraw/zinc/06/64/33/1070066433.db2.gz KWXOKDAPWSFBHK-YDZHTSKRSA-N 0 0 605.373 7.595 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408864414 1070079770 /nfs/dbraw/zinc/07/97/70/1070079770.db2.gz VKGWUOVULYANCH-RNHFSVANSA-N 0 0 575.728 8.279 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408868983 1070090904 /nfs/dbraw/zinc/09/09/04/1070090904.db2.gz QISLYFQZZOZPCQ-UHFFFAOYSA-N 0 0 549.539 5.766 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408869585 1070092022 /nfs/dbraw/zinc/09/20/22/1070092022.db2.gz SRRYOYSMGVJZEZ-UHFFFAOYSA-N 0 0 662.911 7.518 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408871323 1070095136 /nfs/dbraw/zinc/09/51/36/1070095136.db2.gz ZFDAUDWTJOFSMC-UHFFFAOYSA-N 0 0 571.471 6.927 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408873406 1070099154 /nfs/dbraw/zinc/09/91/54/1070099154.db2.gz QOWOZWCSTBUOQP-JJFYIABZSA-N 0 0 526.412 6.310 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(C(=O)OC)=C2C)cc1 ZINC000408874567 1070102490 /nfs/dbraw/zinc/10/24/90/1070102490.db2.gz BXFSQCPMSLGCKB-UCQKPKSFSA-N 0 0 525.432 6.677 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408876100 1070108730 /nfs/dbraw/zinc/10/87/30/1070108730.db2.gz MTCQMOJDEHKJEX-MTJSOVHGSA-N 0 0 515.824 6.932 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408885590 1070121792 /nfs/dbraw/zinc/12/17/92/1070121792.db2.gz CKOIBFBDXLKWAX-UHFFFAOYSA-N 0 0 598.702 5.910 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408888549 1070130188 /nfs/dbraw/zinc/13/01/88/1070130188.db2.gz WXYDYTWZLXBHRO-UHFFFAOYSA-N 0 0 542.566 7.141 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000408881917 1070125185 /nfs/dbraw/zinc/12/51/85/1070125185.db2.gz OEQSHWZRGWUBJK-UHFFFAOYSA-N 0 0 568.367 5.282 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408902051 1070175972 /nfs/dbraw/zinc/17/59/72/1070175972.db2.gz KBZMUQDFFYOGBS-WSDLNYQXSA-N 0 0 591.346 7.205 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1O[C@H](C)CC ZINC000408905054 1070177470 /nfs/dbraw/zinc/17/74/70/1070177470.db2.gz SMTBELKQAITXDB-IYSPOMMRSA-N 0 0 504.368 5.673 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408906158 1070179785 /nfs/dbraw/zinc/17/97/85/1070179785.db2.gz HWTFRFCPKIDFKA-UZWMFBFFSA-N 0 0 689.628 7.317 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408902440 1070183480 /nfs/dbraw/zinc/18/34/80/1070183480.db2.gz NQYLDJSBXBNFQY-FYJGNVAPSA-N 0 0 512.322 5.815 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408903568 1070187779 /nfs/dbraw/zinc/18/77/79/1070187779.db2.gz ZUYZJQLITPLPQK-PCLIKHOPSA-N 0 0 579.484 7.429 40 10 KKCBRN Cc1ccc(COc2c(I)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408903064 1070185667 /nfs/dbraw/zinc/18/56/67/1070185667.db2.gz UGSYOELDAZWQAQ-FYJGNVAPSA-N 0 0 669.347 7.189 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000408920048 1070224353 /nfs/dbraw/zinc/22/43/53/1070224353.db2.gz GNPCWPDFOCSPKC-ASZNLBCTSA-N 0 0 557.741 5.316 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccccc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934361 1070268973 /nfs/dbraw/zinc/26/89/73/1070268973.db2.gz CFDTVFHUDYPTGZ-HTNWYMAZSA-N 0 0 639.818 6.011 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408936407 1070276657 /nfs/dbraw/zinc/27/66/57/1070276657.db2.gz GCGKUISUWAMTSV-CIAFOILYSA-N 0 0 597.365 5.229 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408940087 1070284786 /nfs/dbraw/zinc/28/47/86/1070284786.db2.gz JDHCTLDCNIJARS-KFOJKGMOSA-N 0 0 624.162 6.145 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000408944788 1070297870 /nfs/dbraw/zinc/29/78/70/1070297870.db2.gz VFULQMFSQLOMFV-LPYMAVHISA-N 0 0 537.385 6.008 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408964680 1070330059 /nfs/dbraw/zinc/33/00/59/1070330059.db2.gz YQHAIUJYQGPBFZ-WJDWOHSUSA-N 0 0 506.234 5.966 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408983958 1070343924 /nfs/dbraw/zinc/34/39/24/1070343924.db2.gz OWIZHSQSRJZPSY-JMIUGGIZSA-N 0 0 616.839 5.815 40 10 KKCBRN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408984190 1070352172 /nfs/dbraw/zinc/35/21/72/1070352172.db2.gz PYIWSAQIDHWYPQ-OYKKKHCWSA-N 0 0 681.324 7.015 40 10 KKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)C=C2c2ccccc2)cc1 ZINC000408984588 1070352509 /nfs/dbraw/zinc/35/25/09/1070352509.db2.gz IIOAWPXYLLUDRG-HKOYGPOVSA-N 0 0 502.452 7.662 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408984324 1070352736 /nfs/dbraw/zinc/35/27/36/1070352736.db2.gz MMVMYCZVBTULFR-XCQFLATRSA-N 0 0 652.172 5.783 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992024 1070359434 /nfs/dbraw/zinc/35/94/34/1070359434.db2.gz QALAVBFAHUUVDA-UHFFFAOYSA-N 0 0 685.614 8.966 40 10 KKCBRN Cc1ccccc1NC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408992556 1070356508 /nfs/dbraw/zinc/35/65/08/1070356508.db2.gz UCNLJKOMCISJFA-MHZLTWQESA-N 0 0 513.667 5.346 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408995774 1070364741 /nfs/dbraw/zinc/36/47/41/1070364741.db2.gz DQRBEDQXZFFCQK-STZFKDTASA-N 0 0 567.425 5.897 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408996316 1070365742 /nfs/dbraw/zinc/36/57/42/1070365742.db2.gz HMJPIMCWNCKIIN-PKAZHMFMSA-N 0 0 510.590 5.194 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408996977 1070366672 /nfs/dbraw/zinc/36/66/72/1070366672.db2.gz FTSALZJENFYSRS-DJPQNNMESA-N 0 0 642.152 6.144 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408993175 1070368097 /nfs/dbraw/zinc/36/80/97/1070368097.db2.gz CLXAPUHBDIYNJG-UHFFFAOYSA-N 0 0 731.224 8.689 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408999628 1070374666 /nfs/dbraw/zinc/37/46/66/1070374666.db2.gz VFINJWIYQPYTQB-GVMLUORFSA-N 0 0 610.961 5.622 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409002843 1070374457 /nfs/dbraw/zinc/37/44/57/1070374457.db2.gz BNBXKOFNPKQDKR-HYARGMPZSA-N 0 0 598.439 5.117 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000409002581 1070379227 /nfs/dbraw/zinc/37/92/27/1070379227.db2.gz VFYMSSAMWHCTEQ-ULJHMMPZSA-N 0 0 518.407 6.295 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000409010754 1070388560 /nfs/dbraw/zinc/38/85/60/1070388560.db2.gz KYIQIEPLNWOABK-BRPDVVIDSA-N 0 0 529.596 5.868 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012083 1070390167 /nfs/dbraw/zinc/39/01/67/1070390167.db2.gz ISMIEIFKTBNQAK-OGLMXYFKSA-N 0 0 719.565 8.182 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409012642 1070390417 /nfs/dbraw/zinc/39/04/17/1070390417.db2.gz RAXJEFAOSOPACU-ZTKZIYFRSA-N 0 0 550.684 5.632 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409015158 1070395140 /nfs/dbraw/zinc/39/51/40/1070395140.db2.gz YUJLGJKIGDDQBQ-GCMSVZMUSA-N 0 0 582.440 5.275 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409022962 1070400779 /nfs/dbraw/zinc/40/07/79/1070400779.db2.gz ADEOSIQOAVAUBS-DWLKXISJSA-N 0 0 661.780 5.447 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409022154 1070399009 /nfs/dbraw/zinc/39/90/09/1070399009.db2.gz GQKGLXPRDWKTTB-IWIPYMOSSA-N 0 0 504.380 5.905 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409022703 1070400001 /nfs/dbraw/zinc/40/00/01/1070400001.db2.gz PVFGOBCNDSGBSZ-HZHRSRAPSA-N 0 0 502.596 5.264 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409019400 1070403202 /nfs/dbraw/zinc/40/32/02/1070403202.db2.gz IVBIMEGHRUTTJL-FYJGNVAPSA-N 0 0 621.893 5.060 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000409029957 1070411740 /nfs/dbraw/zinc/41/17/40/1070411740.db2.gz DNCMHUXLHNPGNX-AQIZGWBQSA-N 0 0 618.981 5.069 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc2c(c1)OCO2 ZINC000409029882 1070411776 /nfs/dbraw/zinc/41/17/76/1070411776.db2.gz CTYGGXCVPMGNNI-VIZOYTHASA-N 0 0 532.421 5.505 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC(C)C ZINC000409029995 1070412438 /nfs/dbraw/zinc/41/24/38/1070412438.db2.gz BIDYQNUJVLPYRF-SDQBBNPISA-N 0 0 519.264 5.747 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)sc2=N1 ZINC000409031092 1070415325 /nfs/dbraw/zinc/41/53/25/1070415325.db2.gz ITQRRFSVCYIHLQ-UAMLYEQYSA-N 0 0 604.172 5.956 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(C)c1 ZINC000409032559 1070420000 /nfs/dbraw/zinc/42/00/00/1070420000.db2.gz JHNQTSLYDPQBMN-LICLKQGHSA-N 0 0 502.439 6.084 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1F ZINC000409033066 1070421516 /nfs/dbraw/zinc/42/15/16/1070421516.db2.gz KKGAVTROULSHIJ-OVCLIPMQSA-N 0 0 646.325 6.910 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(C)c1 ZINC000409038217 1070428323 /nfs/dbraw/zinc/42/83/23/1070428323.db2.gz ZWELJXJMGMRVAI-RQZCQDPDSA-N 0 0 642.362 7.079 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409037896 1070426840 /nfs/dbraw/zinc/42/68/40/1070426840.db2.gz OCVMCKCKPLGPJL-AWNIVKPZSA-N 0 0 561.721 7.727 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409039757 1070432150 /nfs/dbraw/zinc/43/21/50/1070432150.db2.gz DHSIXDAGLVZABB-HZHRSRAPSA-N 0 0 504.384 5.581 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000409036530 1070437692 /nfs/dbraw/zinc/43/76/92/1070437692.db2.gz LLODEQXFNSBHKK-VIZOYTHASA-N 0 0 632.298 6.520 40 10 KKCBRN CC(C)COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409046509 1070445858 /nfs/dbraw/zinc/44/58/58/1070445858.db2.gz LAKJJDBJUMNZAM-UHFFFAOYSA-N 0 0 598.291 6.830 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409043577 1070449560 /nfs/dbraw/zinc/44/95/60/1070449560.db2.gz NCLYEMRWUGKOQJ-NVMNQCDNSA-N 0 0 575.775 7.301 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409045755 1070454655 /nfs/dbraw/zinc/45/46/55/1070454655.db2.gz HTASGWOZCINMNV-RGVLZGJSSA-N 0 0 526.332 5.455 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000409045276 1070453743 /nfs/dbraw/zinc/45/37/43/1070453743.db2.gz PGECPPMHAWNGDN-GIDUJCDVSA-N 0 0 672.344 6.499 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000409045363 1070453835 /nfs/dbraw/zinc/45/38/35/1070453835.db2.gz PJLDMOXLOPETEB-UYRXBGFRSA-N 0 0 508.446 6.920 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409047771 1070460172 /nfs/dbraw/zinc/46/01/72/1070460172.db2.gz PKKPEZKYFGBVMD-WYMPLXKRSA-N 0 0 559.471 6.579 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409050432 1070465368 /nfs/dbraw/zinc/46/53/68/1070465368.db2.gz VOVLWNQCVVKNKT-JAIQZWGSSA-N 0 0 587.932 6.780 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000409055960 1070468278 /nfs/dbraw/zinc/46/82/78/1070468278.db2.gz KGOAXZDARMVKPY-WQRHYEAKSA-N 0 0 525.433 5.408 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409069959 1070495700 /nfs/dbraw/zinc/49/57/00/1070495700.db2.gz BTLGLUWTFVQLDC-UHFFFAOYSA-N 0 0 593.444 6.345 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409084638 1070510556 /nfs/dbraw/zinc/51/05/56/1070510556.db2.gz PVMKBMWGVISMLW-RQZCQDPDSA-N 0 0 602.195 6.626 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1 ZINC000409093262 1070517486 /nfs/dbraw/zinc/51/74/86/1070517486.db2.gz ZOZXQKFQVXDDSH-BUVRLJJBSA-N 0 0 505.596 5.176 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2Br)cc1 ZINC000409087984 1070521849 /nfs/dbraw/zinc/52/18/49/1070521849.db2.gz DICNVFLPCHBORK-UZQMFHLOSA-N 0 0 504.471 5.717 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409088629 1070522400 /nfs/dbraw/zinc/52/24/00/1070522400.db2.gz FYUULLADMPXCMG-BWAHOGKJSA-N 0 0 559.043 6.341 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409090127 1070524327 /nfs/dbraw/zinc/52/43/27/1070524327.db2.gz LEKCMVCVHYCMDQ-XYGWBWBKSA-N 0 0 620.874 7.367 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409103765 1070528041 /nfs/dbraw/zinc/52/80/41/1070528041.db2.gz YLLDUBAXKPHCOJ-KEPJHFNWSA-N 0 0 623.606 5.827 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409099947 1070533374 /nfs/dbraw/zinc/53/33/74/1070533374.db2.gz RZBLCRPQIAIWAZ-BUVRLJJBSA-N 0 0 662.546 7.276 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409100589 1070533729 /nfs/dbraw/zinc/53/37/29/1070533729.db2.gz VCDTYQKAJFJACX-AOVNZICLSA-N 0 0 518.679 6.160 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103282 1070535573 /nfs/dbraw/zinc/53/55/73/1070535573.db2.gz VTUYGZRKVNKLJZ-XCQFLATRSA-N 0 0 612.796 5.120 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409107617 1070541669 /nfs/dbraw/zinc/54/16/69/1070541669.db2.gz SNWLAOHRAFQYEZ-ZVHZXABRSA-N 0 0 659.555 6.587 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409132792 1070551438 /nfs/dbraw/zinc/55/14/38/1070551438.db2.gz KXGMQFGOWQKVBW-MYKKPKGFSA-N 0 0 538.525 7.355 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409125531 1070553192 /nfs/dbraw/zinc/55/31/92/1070553192.db2.gz FYAIYSXQSCSESP-FMCGGJTJSA-N 0 0 532.716 5.378 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409127025 1070554465 /nfs/dbraw/zinc/55/44/65/1070554465.db2.gz IMMXAUUVIBAVER-UCQKPKSFSA-N 0 0 560.583 6.198 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409130250 1070557153 /nfs/dbraw/zinc/55/71/53/1070557153.db2.gz MHGDQTWCJPJVSL-QFEZKATASA-N 0 0 578.463 6.824 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409144054 1070572048 /nfs/dbraw/zinc/57/20/48/1070572048.db2.gz JJGYVAGHJZPEBL-UUYOSTAYSA-N 0 0 500.686 5.323 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)C2=O)ccc1Cl ZINC000409151786 1070567758 /nfs/dbraw/zinc/56/77/58/1070567758.db2.gz IBIBTCJDYIZFAX-STBIYBPSSA-N 0 0 636.170 7.007 40 10 KKCBRN O=C1[C@H](Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409150080 1070568332 /nfs/dbraw/zinc/56/83/32/1070568332.db2.gz ZTUIVNBWIKKTKI-NRFANRHFSA-N 0 0 664.243 8.208 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409150113 1070568348 /nfs/dbraw/zinc/56/83/48/1070568348.db2.gz AGTXMXLQUHZJQT-FYQCMVGJSA-N 0 0 568.895 7.612 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409142756 1070570454 /nfs/dbraw/zinc/57/04/54/1070570454.db2.gz BTAPGSVWMKMIIX-BRJLIKDPSA-N 0 0 662.071 7.529 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409158314 1070574480 /nfs/dbraw/zinc/57/44/80/1070574480.db2.gz OHPAJXDLOZIZGU-OSWQYVSFSA-N 0 0 571.855 7.433 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409159566 1070575446 /nfs/dbraw/zinc/57/54/46/1070575446.db2.gz NQMYKOHHIZKOMB-JJFYIABZSA-N 0 0 514.434 6.384 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409152088 1070576551 /nfs/dbraw/zinc/57/65/51/1070576551.db2.gz IWEDOGUMXBMJHJ-UOMUQXIMSA-N 0 0 607.375 9.837 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409162608 1070581598 /nfs/dbraw/zinc/58/15/98/1070581598.db2.gz XPSUYZXSUOWBAB-MYKKPKGFSA-N 0 0 613.739 5.120 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166154 1070584202 /nfs/dbraw/zinc/58/42/02/1070584202.db2.gz BSNQUYHOXFYORA-DGUDUIIESA-N 0 0 604.328 8.695 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409180966 1070598512 /nfs/dbraw/zinc/59/85/12/1070598512.db2.gz ZWFWSRFBHRKOOX-LSHDLFTRSA-N 0 0 647.802 8.932 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182193 1070600218 /nfs/dbraw/zinc/60/02/18/1070600218.db2.gz JDUJRNKGVASMCD-OBWDPHAXSA-N 0 0 812.142 8.983 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183251 1070601850 /nfs/dbraw/zinc/60/18/50/1070601850.db2.gz BCFDTQNJNRSIRL-NRNSZXCESA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183858 1070603177 /nfs/dbraw/zinc/60/31/77/1070603177.db2.gz UGXGZVJPUMXHNR-FGSYFLBUSA-N 0 0 577.706 6.088 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184182 1070603267 /nfs/dbraw/zinc/60/32/67/1070603267.db2.gz FNHIMNGQZJKXJJ-MDMFHAEYSA-N 0 0 728.665 6.784 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197023 1070617272 /nfs/dbraw/zinc/61/72/72/1070617272.db2.gz UBWZFSWOMGWTLZ-LPYMAVHISA-N 0 0 635.505 6.133 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409198273 1070619381 /nfs/dbraw/zinc/61/93/81/1070619381.db2.gz BKAGADRVYYIZTK-LZYBPNLTSA-N 0 0 522.808 6.230 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409206475 1070621626 /nfs/dbraw/zinc/62/16/26/1070621626.db2.gz JYIOJZVQAPRELY-YVLHZVERSA-N 0 0 590.302 6.257 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000409199590 1070625151 /nfs/dbraw/zinc/62/51/51/1070625151.db2.gz HVRWJUVECAQWAO-NDENLUEZSA-N 0 0 502.042 6.355 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409204306 1070630297 /nfs/dbraw/zinc/63/02/97/1070630297.db2.gz DZEDUJZCNNAUSG-SRZZPIQSSA-N 0 0 609.336 7.344 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409205909 1070632686 /nfs/dbraw/zinc/63/26/86/1070632686.db2.gz QVGKSWYUYWNIKR-GIJQJNRQSA-N 0 0 504.376 6.495 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000409205205 1070631041 /nfs/dbraw/zinc/63/10/41/1070631041.db2.gz AGCBONQQXQVTHK-CIAFOILYSA-N 0 0 533.900 6.637 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC ZINC000409205282 1070631925 /nfs/dbraw/zinc/63/19/25/1070631925.db2.gz BCECEFXUUMFZTK-BOPFTXTBSA-N 0 0 528.437 5.044 40 10 KKCBRN O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409225397 1070643008 /nfs/dbraw/zinc/64/30/08/1070643008.db2.gz QEBYJEHGHBUXJL-GIJQJNRQSA-N 0 0 623.674 6.093 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225371 1070643092 /nfs/dbraw/zinc/64/30/92/1070643092.db2.gz POLCFVSXGSHRGP-CIAFOILYSA-N 0 0 628.863 5.194 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1 ZINC000409236433 1070652696 /nfs/dbraw/zinc/65/26/96/1070652696.db2.gz GCURYKWOJVMFFY-FSJBWODESA-N 0 0 521.570 5.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409233500 1070659077 /nfs/dbraw/zinc/65/90/77/1070659077.db2.gz KVNUNSQWJZDYTQ-UQQQWYQISA-N 0 0 553.105 6.200 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409234775 1070660553 /nfs/dbraw/zinc/66/05/53/1070660553.db2.gz YBQMLWHFMPTISR-XKZIYDEJSA-N 0 0 571.493 6.628 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409234390 1070660644 /nfs/dbraw/zinc/66/06/44/1070660644.db2.gz ZTLUZUHRCFZQFQ-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409245177 1070662828 /nfs/dbraw/zinc/66/28/28/1070662828.db2.gz ONXDYCKLUCNWLD-OYKKKHCWSA-N 0 0 572.630 6.700 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000409250339 1070667039 /nfs/dbraw/zinc/66/70/39/1070667039.db2.gz NDRJIXOOIXNNPG-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c(C)c1 ZINC000409244187 1070672053 /nfs/dbraw/zinc/67/20/53/1070672053.db2.gz ZDFFTAZFONHZGR-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409243818 1070671983 /nfs/dbraw/zinc/67/19/83/1070671983.db2.gz USYMHRVVKCLJGJ-RMORIDSASA-N 0 0 573.479 6.141 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409254732 1070672765 /nfs/dbraw/zinc/67/27/65/1070672765.db2.gz JGEZUAGBIVDVMN-AIRTYWKNSA-N 0 0 547.098 5.363 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409255707 1070674771 /nfs/dbraw/zinc/67/47/71/1070674771.db2.gz IJKZHDQWIYRAHL-UHFFFAOYSA-N 0 0 674.935 7.102 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409256588 1070676124 /nfs/dbraw/zinc/67/61/24/1070676124.db2.gz PLTMVRMYWNHTMG-NVMNQCDNSA-N 0 0 663.775 6.022 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S ZINC000409258725 1070680466 /nfs/dbraw/zinc/68/04/66/1070680466.db2.gz ZPXDRYNLQTUKSW-XYIDMMFISA-N 0 0 543.497 6.973 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409257514 1070677695 /nfs/dbraw/zinc/67/76/95/1070677695.db2.gz SDZMROAERYLOIC-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409257869 1070678325 /nfs/dbraw/zinc/67/83/25/1070678325.db2.gz RCPGRINZHJGMAH-UUYOSTAYSA-N 0 0 697.336 6.287 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000409258125 1070678973 /nfs/dbraw/zinc/67/89/73/1070678973.db2.gz RMZNLNUSHBHPQA-BWAHOGKJSA-N 0 0 518.660 5.547 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409253414 1070686113 /nfs/dbraw/zinc/68/61/13/1070686113.db2.gz BILSCIYWCSIMPW-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)SC1=S ZINC000409253841 1070686813 /nfs/dbraw/zinc/68/68/13/1070686813.db2.gz YKKLLNLYEGLUCH-MOSHPQCFSA-N 0 0 519.486 5.776 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c1 ZINC000409265536 1070688891 /nfs/dbraw/zinc/68/88/91/1070688891.db2.gz ITUQAKYEGUBXIY-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000409265500 1070688904 /nfs/dbraw/zinc/68/89/04/1070688904.db2.gz VGRPHKCEUXAVDL-JAIQZWGSSA-N 0 0 541.478 5.257 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409265585 1070689011 /nfs/dbraw/zinc/68/90/11/1070689011.db2.gz VSCHONRSXFJBSZ-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409265471 1070689146 /nfs/dbraw/zinc/68/91/46/1070689146.db2.gz VCBWBPSUBDHJPY-HAHDFKILSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409251642 1070681934 /nfs/dbraw/zinc/68/19/34/1070681934.db2.gz QAVBWGFWMUCERD-XYGWBWBKSA-N 0 0 518.660 5.495 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409252892 1070684639 /nfs/dbraw/zinc/68/46/39/1070684639.db2.gz AATKPQPREDGFQH-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409267350 1070691867 /nfs/dbraw/zinc/69/18/67/1070691867.db2.gz VAGGMYSLMUVHQM-UCQKPKSFSA-N 0 0 541.050 5.781 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409263928 1070700519 /nfs/dbraw/zinc/70/05/19/1070700519.db2.gz IRDRHXCXAVZDJG-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409268070 1070693451 /nfs/dbraw/zinc/69/34/51/1070693451.db2.gz ZBGDPOFBYHBEAG-ODLFYWEKSA-N 0 0 510.559 5.343 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)SC1=S ZINC000409268563 1070693497 /nfs/dbraw/zinc/69/34/97/1070693497.db2.gz VVZXVDOXJRNUGR-WQRHYEAKSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1 ZINC000409268663 1070694169 /nfs/dbraw/zinc/69/41/69/1070694169.db2.gz XGTOVYDLFZYOLL-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OC)cc1 ZINC000409260583 1070696269 /nfs/dbraw/zinc/69/62/69/1070696269.db2.gz SKPVVNNVHHDPRU-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879518 1070793111 /nfs/dbraw/zinc/79/31/11/1070793111.db2.gz GRWQZCNJPFEESM-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408879171 1070796889 /nfs/dbraw/zinc/79/68/89/1070796889.db2.gz BBGNPHRGEUFBKR-UHFFFAOYSA-N 0 0 607.877 7.818 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408878805 1070798179 /nfs/dbraw/zinc/79/81/79/1070798179.db2.gz BLOGAYOSCZRQIW-UHFFFAOYSA-N 0 0 710.593 8.089 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408878715 1070799580 /nfs/dbraw/zinc/79/95/80/1070799580.db2.gz CWJOTYHWJZKSIQ-UHFFFAOYSA-N 0 0 617.496 6.924 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408878370 1070800240 /nfs/dbraw/zinc/80/02/40/1070800240.db2.gz AEDFKHOBJWMPTK-UHFFFAOYSA-N 0 0 627.560 7.402 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408877799 1070805198 /nfs/dbraw/zinc/80/51/98/1070805198.db2.gz UQBSMYHIVILXRQ-VHSZZVNMSA-N 0 0 538.869 7.719 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408877606 1070805742 /nfs/dbraw/zinc/80/57/42/1070805742.db2.gz WCINPAUWLMQECL-UHFFFAOYSA-N 0 0 540.644 7.167 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408888841 1070810846 /nfs/dbraw/zinc/81/08/46/1070810846.db2.gz BRRPFZWIXOCZIK-NVNXTCNLSA-N 0 0 517.797 5.021 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408888911 1070811385 /nfs/dbraw/zinc/81/13/85/1070811385.db2.gz CRYJUEHEUHQCIJ-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2Br)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408888746 1070812121 /nfs/dbraw/zinc/81/21/21/1070812121.db2.gz ZZBLFSIJMMQWPF-UHFFFAOYSA-N 0 0 648.376 7.539 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408888156 1070816362 /nfs/dbraw/zinc/81/63/62/1070816362.db2.gz SVXXIVDXWFPMOB-UHFFFAOYSA-N 0 0 617.883 7.274 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1Cl ZINC000409327258 1070827951 /nfs/dbraw/zinc/82/79/51/1070827951.db2.gz IRFNKEUIBWSTOP-LSHDLFTRSA-N 0 0 596.992 7.482 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409327582 1070828137 /nfs/dbraw/zinc/82/81/37/1070828137.db2.gz KYRXTTKNGMHLBK-XKZIYDEJSA-N 0 0 641.474 7.694 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409327606 1070828275 /nfs/dbraw/zinc/82/82/75/1070828275.db2.gz LKXRSENQWMHRKP-LPYMAVHISA-N 0 0 541.448 6.651 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409328255 1070828893 /nfs/dbraw/zinc/82/88/93/1070828893.db2.gz QSHUIJYOAIWAHF-LPYMAVHISA-N 0 0 664.397 6.354 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408896618 1070830113 /nfs/dbraw/zinc/83/01/13/1070830113.db2.gz SLGKLNFLGYPILO-UHFFFAOYSA-N 0 0 568.607 5.355 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409329131 1070830768 /nfs/dbraw/zinc/83/07/68/1070830768.db2.gz CXBXXMJEROHSJU-MRUKODCESA-N 0 0 549.670 5.952 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329554 1070831864 /nfs/dbraw/zinc/83/18/64/1070831864.db2.gz FVSDILDYEIHNEV-AQHIEDMUSA-N 0 0 564.346 8.709 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409329838 1070832672 /nfs/dbraw/zinc/83/26/72/1070832672.db2.gz HHUPEFVSTPDBRQ-BRJLIKDPSA-N 0 0 543.626 5.423 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)cc1C ZINC000409330008 1070832782 /nfs/dbraw/zinc/83/27/82/1070832782.db2.gz IVPWWLXBNYOGLT-WSDLNYQXSA-N 0 0 507.549 6.318 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409330307 1070833383 /nfs/dbraw/zinc/83/33/83/1070833383.db2.gz KYURAWFCKXFWHP-QRVIBDJDSA-N 0 0 522.026 6.028 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408896173 1070836024 /nfs/dbraw/zinc/83/60/24/1070836024.db2.gz PTLXGVDIOWSJCD-UHFFFAOYSA-N 0 0 522.532 5.997 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332892 1070837859 /nfs/dbraw/zinc/83/78/59/1070837859.db2.gz SDJDEHDNMLGJEB-UCQKPKSFSA-N 0 0 510.568 6.117 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409334157 1070839546 /nfs/dbraw/zinc/83/95/46/1070839546.db2.gz UONOOZHOZSMZQZ-UCQKPKSFSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409339964 1070845167 /nfs/dbraw/zinc/84/51/67/1070845167.db2.gz NOAMIXCPDZRSHF-LPYMAVHISA-N 0 0 605.373 7.513 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409340279 1070845624 /nfs/dbraw/zinc/84/56/24/1070845624.db2.gz TZJGIBYOCUGIJO-YVLHZVERSA-N 0 0 509.403 5.166 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409341466 1070847915 /nfs/dbraw/zinc/84/79/15/1070847915.db2.gz BCPXHKCZFAESBB-NVMNQCDNSA-N 0 0 572.886 5.467 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409335001 1070854912 /nfs/dbraw/zinc/85/49/12/1070854912.db2.gz YMFMJXIGCFKBRW-MOSHPQCFSA-N 0 0 547.439 6.258 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409342117 1070849436 /nfs/dbraw/zinc/84/94/36/1070849436.db2.gz BQALJWBKFHZUAK-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408894993 1070849686 /nfs/dbraw/zinc/84/96/86/1070849686.db2.gz LKPPTFBYUFQDSC-UHFFFAOYSA-N 0 0 597.465 7.010 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OCC ZINC000409342558 1070850064 /nfs/dbraw/zinc/85/00/64/1070850064.db2.gz DUYFKWSYKLDKJN-ODLFYWEKSA-N 0 0 589.904 6.547 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409343345 1070851794 /nfs/dbraw/zinc/85/17/94/1070851794.db2.gz GKQOTGTYYXYNLC-VCHYOVAHSA-N 0 0 594.323 7.191 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409343729 1070851849 /nfs/dbraw/zinc/85/18/49/1070851849.db2.gz GCWXHRZOEKNYLX-NHDPSOOVSA-N 0 0 611.417 7.583 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409344671 1070853462 /nfs/dbraw/zinc/85/34/62/1070853462.db2.gz GHKMFISGHKUFOO-VYYCAZPPSA-N 0 0 541.742 6.447 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)c(OCC)c3)SC2=S)cc1 ZINC000409334895 1070854323 /nfs/dbraw/zinc/85/43/23/1070854323.db2.gz YDESTJOYRHPZKH-MTDXEUNCSA-N 0 0 576.740 7.031 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409345042 1070859519 /nfs/dbraw/zinc/85/95/19/1070859519.db2.gz JWMCGAPEOWLROV-LPYMAVHISA-N 0 0 544.467 6.890 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c1 ZINC000409338290 1070860800 /nfs/dbraw/zinc/86/08/00/1070860800.db2.gz HIXZEVCZNLCNJZ-SRZZPIQSSA-N 0 0 525.589 6.423 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409338814 1070861890 /nfs/dbraw/zinc/86/18/90/1070861890.db2.gz BNCZOIKIQWFQAU-PKAZHMFMSA-N 0 0 562.713 6.641 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409339004 1070861968 /nfs/dbraw/zinc/86/19/68/1070861968.db2.gz DBEQXMNIINPETG-KSEXSDGBSA-N 0 0 557.897 7.650 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409339007 1070862093 /nfs/dbraw/zinc/86/20/93/1070862093.db2.gz DBMGWCGGZSFNPC-VGOFMYFVSA-N 0 0 564.118 6.389 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409347852 1070864350 /nfs/dbraw/zinc/86/43/50/1070864350.db2.gz NBVUOWDCSZIHJR-NDENLUEZSA-N 0 0 563.907 7.568 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409347303 1070864375 /nfs/dbraw/zinc/86/43/75/1070864375.db2.gz PBKWWPSUFQBVHX-FBHDLOMBSA-N 0 0 599.330 7.888 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409346543 1070863212 /nfs/dbraw/zinc/86/32/12/1070863212.db2.gz NTJBUVMEIHYXET-LICLKQGHSA-N 0 0 556.403 5.403 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409348681 1070865969 /nfs/dbraw/zinc/86/59/69/1070865969.db2.gz OLQZSQGCIVOOIJ-QRVIBDJDSA-N 0 0 621.949 7.555 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409348950 1070866392 /nfs/dbraw/zinc/86/63/92/1070866392.db2.gz UDCMBHQPWYDYJX-NKVSQWTQSA-N 0 0 578.411 7.017 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349459 1070866810 /nfs/dbraw/zinc/86/68/10/1070866810.db2.gz PLQVTAUCUNEZMF-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000409349386 1070866920 /nfs/dbraw/zinc/86/69/20/1070866920.db2.gz PNBSHRCBXBNZHB-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409349838 1070867553 /nfs/dbraw/zinc/86/75/53/1070867553.db2.gz WKKXGOLBXMDVFP-PXNMLYILSA-N 0 0 532.359 5.426 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409351307 1070869624 /nfs/dbraw/zinc/86/96/24/1070869624.db2.gz TYNAPAOBLAYPMR-RQZCQDPDSA-N 0 0 576.412 5.824 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409351533 1070869648 /nfs/dbraw/zinc/86/96/48/1070869648.db2.gz UBOQEHXYRMYQOH-ZZYOEZNTSA-N 0 0 610.571 7.878 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352242 1070870305 /nfs/dbraw/zinc/87/03/05/1070870305.db2.gz WVVJBSIPRRHSOM-UFFVCSGVSA-N 0 0 630.210 8.503 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409352628 1070871244 /nfs/dbraw/zinc/87/12/44/1070871244.db2.gz XXWXFEWOSWOROR-JAIQZWGSSA-N 0 0 515.410 6.640 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409345223 1070876158 /nfs/dbraw/zinc/87/61/58/1070876158.db2.gz KRJGTMSQHBMPPO-MXAYSNPKSA-N 0 0 548.642 5.546 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409345503 1070876601 /nfs/dbraw/zinc/87/66/01/1070876601.db2.gz IZLITHQLCWPEPL-NHDPSOOVSA-N 0 0 536.889 7.640 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409345334 1070876772 /nfs/dbraw/zinc/87/67/72/1070876772.db2.gz LEVSWRBCNNOHMJ-QRVIBDJDSA-N 0 0 635.964 7.074 40 10 KKCBRN CCCOc1cc(Br)c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000409358774 1070886456 /nfs/dbraw/zinc/88/64/56/1070886456.db2.gz LUNOYMYERBPGTM-UHFFFAOYSA-N 0 0 549.421 6.220 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000409370587 1070893652 /nfs/dbraw/zinc/89/36/52/1070893652.db2.gz BHPXETNOOSRXFY-NHDPSOOVSA-N 0 0 548.448 6.649 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409371554 1070894289 /nfs/dbraw/zinc/89/42/89/1070894289.db2.gz HKWXKUFZYBRLQT-RQZCQDPDSA-N 0 0 591.336 6.491 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409373655 1070896807 /nfs/dbraw/zinc/89/68/07/1070896807.db2.gz YHBAFMHFUZETOI-MFOYZWKCSA-N 0 0 638.336 6.333 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408902652 1070910486 /nfs/dbraw/zinc/91/04/86/1070910486.db2.gz PFTBJLMOEVJBRY-HYARGMPZSA-N 0 0 652.373 7.437 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408904149 1070900888 /nfs/dbraw/zinc/90/08/88/1070900888.db2.gz FNALHCRXDRKPBB-LPYMAVHISA-N 0 0 581.410 5.432 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408903984 1070901353 /nfs/dbraw/zinc/90/13/53/1070901353.db2.gz CAGVREAHECXDKH-OEAKJJBVSA-N 0 0 503.986 5.871 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408903494 1070903961 /nfs/dbraw/zinc/90/39/61/1070903961.db2.gz YQFSIUVHVBBNME-RGVLZGJSSA-N 0 0 544.218 6.736 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)o1 ZINC000409387443 1070909830 /nfs/dbraw/zinc/90/98/30/1070909830.db2.gz BAIJTXPKZCQQFJ-JAIQZWGSSA-N 0 0 562.385 5.315 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409378764 1070905291 /nfs/dbraw/zinc/90/52/91/1070905291.db2.gz RJWDTXULEYUNPT-UHFFFAOYSA-N 0 0 644.453 6.198 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408903166 1070905417 /nfs/dbraw/zinc/90/54/17/1070905417.db2.gz VBJYYDVIOILRGQ-RGVLZGJSSA-N 0 0 591.218 6.578 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408903003 1070906136 /nfs/dbraw/zinc/90/61/36/1070906136.db2.gz UCOBCUOGJGRZDO-RGVLZGJSSA-N 0 0 607.673 7.092 40 10 KKCBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408903092 1070906687 /nfs/dbraw/zinc/90/66/87/1070906687.db2.gz ULENPVYBAMWAQJ-YBFXNURJSA-N 0 0 522.442 5.196 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1O[C@H](C)CC ZINC000408902920 1070907951 /nfs/dbraw/zinc/90/79/51/1070907951.db2.gz SDFLOMMFGSIDQE-NFECSFHCSA-N 0 0 539.460 6.273 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000408902919 1070908024 /nfs/dbraw/zinc/90/80/24/1070908024.db2.gz SDFLOMMFGSIDQE-ITRAFESCSA-N 0 0 539.460 6.273 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408902688 1070908523 /nfs/dbraw/zinc/90/85/23/1070908523.db2.gz PXXDFROCPLXVTQ-ZVHZXABRSA-N 0 0 670.288 7.434 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408902716 1070908555 /nfs/dbraw/zinc/90/85/55/1070908555.db2.gz QILYHHUPNCLOMX-BUVRLJJBSA-N 0 0 522.478 8.131 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408902453 1070911156 /nfs/dbraw/zinc/91/11/56/1070911156.db2.gz NXMYVXDNCWAXPK-RGVLZGJSSA-N 0 0 571.225 6.505 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1F ZINC000408902287 1070912659 /nfs/dbraw/zinc/91/26/59/1070912659.db2.gz MTEGAPWXUKBVCH-FYJGNVAPSA-N 0 0 556.375 6.214 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1 ZINC000408902130 1070913352 /nfs/dbraw/zinc/91/33/52/1070913352.db2.gz KPINVBNVRMVRPW-CIAFOILYSA-N 0 0 634.255 6.589 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902013 1070914673 /nfs/dbraw/zinc/91/46/73/1070914673.db2.gz JVSXSWNIZMXXKU-FYJGNVAPSA-N 0 0 561.320 7.196 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408901847 1070915963 /nfs/dbraw/zinc/91/59/63/1070915963.db2.gz HWEJWDKGIJMAMU-YDZHTSKRSA-N 0 0 569.502 6.189 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901495 1070921375 /nfs/dbraw/zinc/92/13/75/1070921375.db2.gz GAAFTGFZTNTLKN-FYJGNVAPSA-N 0 0 574.421 6.184 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408901261 1070921847 /nfs/dbraw/zinc/92/18/47/1070921847.db2.gz CRZDASWLABNRHY-HYARGMPZSA-N 0 0 605.373 7.595 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901244 1070921894 /nfs/dbraw/zinc/92/18/94/1070921894.db2.gz CNOPKBDYTWTNSJ-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000408901323 1070922492 /nfs/dbraw/zinc/92/24/92/1070922492.db2.gz DEDNVQSYZFSPGR-HYARGMPZSA-N 0 0 508.359 5.985 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408901338 1070923705 /nfs/dbraw/zinc/92/37/05/1070923705.db2.gz DHTUQVGUUJQCFJ-RGVLZGJSSA-N 0 0 699.124 7.043 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(I)cc1 ZINC000408900943 1070925923 /nfs/dbraw/zinc/92/59/23/1070925923.db2.gz AIXVNYKVWTWXEP-LPYMAVHISA-N 0 0 617.281 6.838 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408900536 1070931586 /nfs/dbraw/zinc/93/15/86/1070931586.db2.gz VVXLNVYYLGKFNJ-UHFFFAOYSA-N 0 0 583.109 7.293 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(OC(F)F)cc4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000585139693 1070983767 /nfs/dbraw/zinc/98/37/67/1070983767.db2.gz NDUBOSVQUISYNW-UCIQFCIPSA-N 0 0 612.746 6.216 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408915027 1071010497 /nfs/dbraw/zinc/01/04/97/1071010497.db2.gz OVTSRIQANSXOQW-CWJUKMOQSA-N 0 0 634.610 6.711 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OCC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408911237 1071063687 /nfs/dbraw/zinc/06/36/87/1071063687.db2.gz JNHJKHPKDPGZIC-SRTOOPEESA-N 0 0 675.807 5.919 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408911112 1071064810 /nfs/dbraw/zinc/06/48/10/1071064810.db2.gz YPOXAPFHRSZZNN-WPWMEQJKSA-N 0 0 669.558 7.302 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408930565 1071160931 /nfs/dbraw/zinc/16/09/31/1071160931.db2.gz YUZADEZUARRGMG-SRZZPIQSSA-N 0 0 576.232 5.554 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408929421 1071170205 /nfs/dbraw/zinc/17/02/05/1071170205.db2.gz JKIRJSPPDMXQBG-PKAZHMFMSA-N 0 0 526.434 6.617 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408928057 1071190053 /nfs/dbraw/zinc/19/00/53/1071190053.db2.gz VIPWGTSGFNMFRR-ZJTZAHLKSA-N 0 0 683.637 5.841 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408928048 1071190096 /nfs/dbraw/zinc/19/00/96/1071190096.db2.gz VBNBYIDIVSDETH-GONGWJOBSA-N 0 0 590.749 5.176 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408936378 1071213513 /nfs/dbraw/zinc/21/35/13/1071213513.db2.gz FSMAEAJQIRKMSY-MFKUBSTISA-N 0 0 510.977 6.523 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000208698382 1071213101 /nfs/dbraw/zinc/21/31/01/1071213101.db2.gz QFVXVEHHBFBSBA-UUYOSTAYSA-N 0 0 502.444 6.987 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000208696917 1071213117 /nfs/dbraw/zinc/21/31/17/1071213117.db2.gz UOUZMQFOLXKTOX-MTJSOVHGSA-N 0 0 593.337 7.644 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408933119 1071244941 /nfs/dbraw/zinc/24/49/41/1071244941.db2.gz HSEMMRYBRDGWBH-ZDWZPYFGSA-N 0 0 710.834 6.282 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408942860 1071295972 /nfs/dbraw/zinc/29/59/72/1071295972.db2.gz RAPVSBKXNXZSKX-FYJGNVAPSA-N 0 0 509.787 6.123 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000408942315 1071300395 /nfs/dbraw/zinc/30/03/95/1071300395.db2.gz QJLFBAPKKGPDBI-OEAKJJBVSA-N 0 0 533.422 6.177 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408939707 1071322570 /nfs/dbraw/zinc/32/25/70/1071322570.db2.gz UAVGCSWSHKIOAQ-NHDPSOOVSA-N 0 0 531.781 5.445 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408937295 1071340836 /nfs/dbraw/zinc/34/08/36/1071340836.db2.gz IRSYQOKRIYHGQC-LPYMAVHISA-N 0 0 519.941 5.668 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408947682 1071369139 /nfs/dbraw/zinc/36/91/39/1071369139.db2.gz QTPOIEMOTIONDO-FPDADZIKSA-N 0 0 576.118 5.095 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 ZINC000408965863 1071413209 /nfs/dbraw/zinc/41/32/09/1071413209.db2.gz JHGNGGNFBTVSST-XYGWBWBKSA-N 0 0 517.651 6.075 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c2C)c1 ZINC000408965017 1071416380 /nfs/dbraw/zinc/41/63/80/1071416380.db2.gz FQNMJEGCLKGYNS-IWIPYMOSSA-N 0 0 531.634 5.563 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000408964740 1071416394 /nfs/dbraw/zinc/41/63/94/1071416394.db2.gz DPEMOGMETPMEIF-UHFFFAOYSA-N 0 0 533.584 5.854 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C2=O)cc1 ZINC000408964270 1071419313 /nfs/dbraw/zinc/41/93/13/1071419313.db2.gz CPFZOOHBGVOXCT-XYGWBWBKSA-N 0 0 503.624 5.730 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C ZINC000408962180 1071428344 /nfs/dbraw/zinc/42/83/44/1071428344.db2.gz WZIZAUXTWUFLEX-UHFFFAOYSA-N 0 0 519.670 6.713 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C ZINC000408960835 1071430439 /nfs/dbraw/zinc/43/04/39/1071430439.db2.gz ONQRNBCTJRZWOJ-UCQKPKSFSA-N 0 0 552.494 6.402 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1C ZINC000408959774 1071435056 /nfs/dbraw/zinc/43/50/56/1071435056.db2.gz FSIWNDRWMJGQNP-QRVIBDJDSA-N 0 0 508.043 6.293 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1C ZINC000408959710 1071435941 /nfs/dbraw/zinc/43/59/41/1071435941.db2.gz DOXBPNGFXRYRJC-IMRQLAEWSA-N 0 0 558.704 5.477 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n21 ZINC000408959394 1071436497 /nfs/dbraw/zinc/43/64/97/1071436497.db2.gz ZMZNTMNSURTBRF-UPWSPCOFSA-N 0 0 620.569 5.365 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n21 ZINC000408957518 1071445130 /nfs/dbraw/zinc/44/51/30/1071445130.db2.gz TWWQYVVIAVCYOZ-UWRMONIRSA-N 0 0 689.459 6.672 40 10 KKCBRN COc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408973770 1071447214 /nfs/dbraw/zinc/44/72/14/1071447214.db2.gz UYFWJNJDEPNILT-GHXNOFRVSA-N 0 0 504.100 5.569 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1cccc2ccccc21 ZINC000408972988 1071449127 /nfs/dbraw/zinc/44/91/27/1071449127.db2.gz QZXCZGXXBDZQSQ-UQQQWYQISA-N 0 0 516.519 7.166 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971291 1071453160 /nfs/dbraw/zinc/45/31/60/1071453160.db2.gz IDUXARQNILCHLJ-WQRHYEAKSA-N 0 0 674.198 6.823 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408968512 1071462095 /nfs/dbraw/zinc/46/20/95/1071462095.db2.gz ZXEXIOFVYAPWTG-UHFFFAOYSA-N 0 0 528.637 6.391 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CCOc4ccc(C)cc4)C3=O)c2C)c1 ZINC000408967959 1071463068 /nfs/dbraw/zinc/46/30/68/1071463068.db2.gz WAKFEUDUAZJXAT-UQQQWYQISA-N 0 0 504.608 5.695 40 10 KKCBRN CCOC(=O)C1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)CC1 ZINC000408977257 1071468748 /nfs/dbraw/zinc/46/87/48/1071468748.db2.gz VBGPQUUYEHJYRZ-UHFFFAOYSA-N 0 0 614.727 7.281 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(Cl)c5)c4C)c(=O)n32)c(OC)c1 ZINC000408976273 1071471784 /nfs/dbraw/zinc/47/17/84/1071471784.db2.gz FCOKTJWLYYPPLJ-XZYZCHRKSA-N 0 0 653.204 6.260 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408978995 1071481015 /nfs/dbraw/zinc/48/10/15/1071481015.db2.gz BJZUHFRYQCAFTR-FQKMCRJQSA-N 0 0 578.159 5.581 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408979021 1071481770 /nfs/dbraw/zinc/48/17/70/1071481770.db2.gz BNMGHKRMAKSUPL-PYCBVSLESA-N 0 0 597.737 5.116 40 10 KKCBRN Cc1nnc(Sc2ccc(C=C3C(=O)N(c4cc(C)cc(C)c4)C(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408987100 1071482512 /nfs/dbraw/zinc/48/25/12/1071482512.db2.gz AHPQUKYRCVSTLT-UHFFFAOYSA-N 0 0 615.762 6.888 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1Br ZINC000408987093 1071482537 /nfs/dbraw/zinc/48/25/37/1071482537.db2.gz VOWIBJXXVSJIDI-RCCKNPSSSA-N 0 0 503.396 6.278 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(I)c3)C2=O)cc1 ZINC000408986264 1071491592 /nfs/dbraw/zinc/49/15/92/1071491592.db2.gz PGVCMJQTUQTCLQ-XMHGGMMESA-N 0 0 527.789 6.815 40 10 KKCBRN Cc1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1I ZINC000408985013 1071504727 /nfs/dbraw/zinc/50/47/27/1071504727.db2.gz KIGJGMUTHDMOGP-LDADJPATSA-N 0 0 532.208 7.378 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1Br ZINC000408984685 1071507446 /nfs/dbraw/zinc/50/74/46/1071507446.db2.gz JDPOVKADUDPCTD-XSFVSMFZSA-N 0 0 505.368 6.536 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Br)cc4C)C3=O)o2)cc1 ZINC000408984676 1071507465 /nfs/dbraw/zinc/50/74/65/1071507465.db2.gz JBLPQVLJUCOVNH-HAVVHWLPSA-N 0 0 540.413 7.275 40 10 KKCBRN CCCN(CN1C(=O)C(=C2CCCCC2)SC1=S)CN1C(=O)C(=C2CCCCC2)SC1=S ZINC000408718323 1071509537 /nfs/dbraw/zinc/50/95/37/1071509537.db2.gz JXYIFSOYZQIQHH-UHFFFAOYSA-N 0 0 509.788 5.770 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408726876 1071511337 /nfs/dbraw/zinc/51/13/37/1071511337.db2.gz NMWMSELYMSOONP-MTJSOVHGSA-N 0 0 607.878 6.578 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408984255 1071511573 /nfs/dbraw/zinc/51/15/73/1071511573.db2.gz MHDNHOUNEFYNQV-NULZLWRNSA-N 0 0 571.768 5.545 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408984146 1071513164 /nfs/dbraw/zinc/51/31/64/1071513164.db2.gz IBMZWJPEVYTAHM-YSGLVZJUSA-N 0 0 631.754 5.520 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408726703 1071515656 /nfs/dbraw/zinc/51/56/56/1071515656.db2.gz VDTXTPPXVUDTKP-UHFFFAOYSA-N 0 0 581.068 7.518 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408726376 1071516886 /nfs/dbraw/zinc/51/68/86/1071516886.db2.gz RBZMDDZGVIIXNA-UHFFFAOYSA-N 0 0 627.560 7.402 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408982755 1071523727 /nfs/dbraw/zinc/52/37/27/1071523727.db2.gz FECOAUNAPFOMJT-NXYYLBPMSA-N 0 0 658.607 6.659 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408724579 1071524014 /nfs/dbraw/zinc/52/40/14/1071524014.db2.gz BXIYUYDIHJJYDH-NJZRLIGZSA-N 0 0 582.656 7.628 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408724624 1071524114 /nfs/dbraw/zinc/52/41/14/1071524114.db2.gz CNQHTQDCAQJDMO-NJZRLIGZSA-N 0 0 661.552 8.472 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408724377 1071525989 /nfs/dbraw/zinc/52/59/89/1071525989.db2.gz DQSXKTXECUJAJS-UKWGHVSLSA-N 0 0 552.502 5.036 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408724457 1071525379 /nfs/dbraw/zinc/52/53/79/1071525379.db2.gz AGLJWJGJTLXUPP-NJZRLIGZSA-N 0 0 661.552 8.472 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000408724533 1071525404 /nfs/dbraw/zinc/52/54/04/1071525404.db2.gz BDFXBBSUKZFTAG-ZTKZIYFRSA-N 0 0 603.074 7.973 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000408725252 1071521721 /nfs/dbraw/zinc/52/17/21/1071521721.db2.gz IYFXITNFNLNIJP-ZTKZIYFRSA-N 0 0 603.074 7.973 40 10 KKCBRN O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408724999 1071521782 /nfs/dbraw/zinc/52/17/82/1071521782.db2.gz NMGOSBBRKUNSHG-UDWIEESQSA-N 0 0 530.505 6.239 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408982180 1071528725 /nfs/dbraw/zinc/52/87/25/1071528725.db2.gz IVWQUYNBKPSWQK-MRWVFDTMSA-N 0 0 599.753 5.230 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408979379 1071544828 /nfs/dbraw/zinc/54/48/28/1071544828.db2.gz CDRBXKTXRUWINE-DWLKXISJSA-N 0 0 677.779 5.147 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408978647 1071546840 /nfs/dbraw/zinc/54/68/40/1071546840.db2.gz AETNWODQLQGKET-MIUGUJGPSA-N 0 0 606.144 5.267 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727315 1071549555 /nfs/dbraw/zinc/54/95/55/1071549555.db2.gz RFRNBLKPZUBHDZ-OXDPQRGISA-N 0 0 622.703 5.276 40 10 KKCBRN CCOc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736427 1071555570 /nfs/dbraw/zinc/55/55/70/1071555570.db2.gz SCSUGJWFDDWIJD-VHSZZVNMSA-N 0 0 557.859 7.749 40 10 KKCBRN CCOc1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000408736186 1071557227 /nfs/dbraw/zinc/55/72/27/1071557227.db2.gz KGBZNBUKLKJMNY-FAVMAGOISA-N 0 0 524.060 8.937 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735829 1071558503 /nfs/dbraw/zinc/55/85/03/1071558503.db2.gz YECOPKACPVOOMT-VSHCAQDVSA-N 0 0 661.824 6.670 40 10 KKCBRN Cc1cccc(C)c1NC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994004 1071561706 /nfs/dbraw/zinc/56/17/06/1071561706.db2.gz XZBUPNCMCQQISJ-NDEPHWFRSA-N 0 0 527.694 5.654 40 10 KKCBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734673 1071564141 /nfs/dbraw/zinc/56/41/41/1071564141.db2.gz BPHUKBGXAUENNN-HXUWFJFHSA-N 0 0 521.690 6.367 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408992621 1071570664 /nfs/dbraw/zinc/57/06/64/1071570664.db2.gz AQEYMPYAFNMQGG-RCCKNPSSSA-N 0 0 519.022 6.805 40 10 KKCBRN Cc1nnc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408990602 1071587824 /nfs/dbraw/zinc/58/78/24/1071587824.db2.gz LDCRENCCVOWUDA-UHFFFAOYSA-N 0 0 559.654 5.654 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408990467 1071588712 /nfs/dbraw/zinc/58/87/12/1071588712.db2.gz WBYIAPWJGWOCTN-UFKHLRDRSA-N 0 0 622.190 6.613 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408728276 1071597078 /nfs/dbraw/zinc/59/70/78/1071597078.db2.gz YYMSZCUSWLGDAW-HMAPJEAMSA-N 0 0 587.460 5.920 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408728046 1071598297 /nfs/dbraw/zinc/59/82/97/1071598297.db2.gz VAKMUYWCKCBBHL-XIQVQSAGSA-N 0 0 535.572 8.385 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408727693 1071599394 /nfs/dbraw/zinc/59/93/94/1071599394.db2.gz RQQDOHGDXXJPDG-HMAPJEAMSA-N 0 0 632.457 6.223 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727402 1071600531 /nfs/dbraw/zinc/60/05/31/1071600531.db2.gz RUTHFQZZVTVIGA-PSAPEEBNSA-N 0 0 656.602 6.130 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408739620 1071602141 /nfs/dbraw/zinc/60/21/41/1071602141.db2.gz DGHYGRRMCZQEMQ-UHFFFAOYSA-N 0 0 571.402 6.751 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1 ZINC000408739094 1071606112 /nfs/dbraw/zinc/60/61/12/1071606112.db2.gz TUZXLTBNVOISTE-RCCKNPSSSA-N 0 0 504.380 6.106 40 10 KKCBRN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000408738436 1071608347 /nfs/dbraw/zinc/60/83/47/1071608347.db2.gz XMAIWZRURITTGY-HMMYKYKNSA-N 0 0 516.380 7.511 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Cl)c(O)c1 ZINC000408738470 1071608756 /nfs/dbraw/zinc/60/87/56/1071608756.db2.gz YBIUEQNITRTWFV-LDADJPATSA-N 0 0 508.788 8.084 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408987692 1071610793 /nfs/dbraw/zinc/61/07/93/1071610793.db2.gz BPDIGAUJTHUGQA-UHFFFAOYSA-N 0 0 736.640 8.936 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408987794 1071611405 /nfs/dbraw/zinc/61/14/05/1071611405.db2.gz YGOVVTIKOZWABP-VUTHCHCSSA-N 0 0 501.670 8.024 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408737953 1071612570 /nfs/dbraw/zinc/61/25/70/1071612570.db2.gz LOWOTLNQEOMTOA-UHFFFAOYSA-N 0 0 553.412 6.612 40 10 KKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1 ZINC000408737559 1071613183 /nfs/dbraw/zinc/61/31/83/1071613183.db2.gz DEQRPRVZGHBGKR-RCCKNPSSSA-N 0 0 502.397 8.123 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408744356 1071615960 /nfs/dbraw/zinc/61/59/60/1071615960.db2.gz YAIFDNRJZAQGJZ-LPYMAVHISA-N 0 0 594.832 7.667 40 10 KKCBRN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1 ZINC000408737487 1071614264 /nfs/dbraw/zinc/61/42/64/1071614264.db2.gz BOICVRHCWQTVMN-LTGZKZEYSA-N 0 0 608.273 8.093 40 10 KKCBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995783 1071621546 /nfs/dbraw/zinc/62/15/46/1071621546.db2.gz NIYSXPUIKKJXJS-VYKTZEHYSA-N 0 0 504.677 6.117 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996528 1071618107 /nfs/dbraw/zinc/61/81/07/1071618107.db2.gz PVQOXWOFWJBKQT-MAKYVFJGSA-N 0 0 579.766 5.905 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408996172 1071619083 /nfs/dbraw/zinc/61/90/83/1071619083.db2.gz OLWFOOIUZYHQPL-HAVVHWLPSA-N 0 0 503.023 7.187 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Br)cc1 ZINC000408742307 1071621773 /nfs/dbraw/zinc/62/17/73/1071621773.db2.gz OFWZTQSCEJDQDY-DEDYPNTBSA-N 0 0 511.799 7.062 40 10 KKCBRN CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408741256 1071626270 /nfs/dbraw/zinc/62/62/70/1071626270.db2.gz HTQINBWRSZWDOC-UHFFFAOYSA-N 0 0 645.784 8.958 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408741642 1071623771 /nfs/dbraw/zinc/62/37/71/1071623771.db2.gz MUWCQUQUPMOJPE-CEUNXORHSA-N 0 0 536.628 6.770 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409006642 1071624148 /nfs/dbraw/zinc/62/41/48/1071624148.db2.gz JVBYVOCNCJVDQT-UHFFFAOYSA-N 0 0 695.816 8.154 40 10 KKCBRN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409005519 1071629060 /nfs/dbraw/zinc/62/90/60/1071629060.db2.gz FJQYCDYYZWLCEG-MFOYZWKCSA-N 0 0 530.271 5.811 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000409005178 1071630241 /nfs/dbraw/zinc/63/02/41/1071630241.db2.gz DCGDSCSNOCGBDI-UHFFFAOYSA-N 0 0 547.636 5.761 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C=C(c4ccc5cc(C)ccc5c4)OC3=O)c2-c2ccccc2)cc1 ZINC000408756870 1071634818 /nfs/dbraw/zinc/63/48/18/1071634818.db2.gz UOFOXTDFFHTROM-JWHWKPFMSA-N 0 0 601.702 9.431 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409003157 1071637629 /nfs/dbraw/zinc/63/76/29/1071637629.db2.gz FBTYJCAYODEQPF-ZVHZXABRSA-N 0 0 598.439 5.117 40 10 KKCBRN Cc1ccc2cc(C3=C/C(=C\c4cc(-c5ccccc5)n(-c5ccc(Cl)cc5)c4-c4ccccc4)C(=O)O3)ccc2c1 ZINC000408756267 1071638769 /nfs/dbraw/zinc/63/87/69/1071638769.db2.gz PPKPQKAUOOIWQB-WEMUVCOSSA-N 0 0 564.084 9.908 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1OC ZINC000408756316 1071638895 /nfs/dbraw/zinc/63/88/95/1071638895.db2.gz RIBGIHSQIVCIMU-ANSQWYIGSA-N 0 0 530.568 6.350 40 10 KKCBRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409002011 1071642276 /nfs/dbraw/zinc/64/22/76/1071642276.db2.gz LODWVMZAMKKLJR-FFZQPPGASA-N 0 0 550.615 6.859 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409001519 1071645585 /nfs/dbraw/zinc/64/55/85/1071645585.db2.gz IVDABSICDKEKRT-XAUWAZNKSA-N 0 0 540.616 5.219 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409001945 1071643437 /nfs/dbraw/zinc/64/34/37/1071643437.db2.gz RDAXDLJQVWUDGN-DJPQNNMESA-N 0 0 658.220 6.858 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000408755308 1071645960 /nfs/dbraw/zinc/64/59/60/1071645960.db2.gz JMKAFNSVBYLOHS-DEDYPNTBSA-N 0 0 553.865 7.169 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000952 1071647056 /nfs/dbraw/zinc/64/70/56/1071647056.db2.gz OBKCFHQCWCEFBS-DAEMZRGMSA-N 0 0 616.699 6.065 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409000283 1071650465 /nfs/dbraw/zinc/65/04/65/1071650465.db2.gz YHWFJUYLDMWGPD-GOQPZEPVSA-N 0 0 647.753 5.138 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1OC ZINC000409000229 1071650510 /nfs/dbraw/zinc/65/05/10/1071650510.db2.gz MZWJMYXFQZJMAA-CTVOUCONSA-N 0 0 550.702 5.825 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408999958 1071651566 /nfs/dbraw/zinc/65/15/66/1071651566.db2.gz WJSSQVHDJOCKMQ-FDRCZSESSA-N 0 0 575.459 5.583 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cc(C)cc(C)c4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408998922 1071656400 /nfs/dbraw/zinc/65/64/00/1071656400.db2.gz VIBOVXKQRHNUAI-BJYVYPIYSA-N 0 0 590.749 5.629 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000408752347 1071664862 /nfs/dbraw/zinc/66/48/62/1071664862.db2.gz HXQMEFLZTZTRJT-CPNJWEJPSA-N 0 0 510.815 6.899 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409016833 1071665972 /nfs/dbraw/zinc/66/59/72/1071665972.db2.gz ACWYOTAFEXABCH-OGMUYLFESA-N 0 0 576.697 5.729 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=O)/C(=C/c4ccc(OC)c(OC)c4)C=C3c3ccc(Cl)cc3)cc2)cc1 ZINC000408752246 1071666016 /nfs/dbraw/zinc/66/60/16/1071666016.db2.gz CMSZVMNQXXJKFU-PTGBLXJZSA-N 0 0 540.015 7.629 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409016654 1071666714 /nfs/dbraw/zinc/66/67/14/1071666714.db2.gz VGCCBNMWKUJPCW-MFKUBSTISA-N 0 0 603.524 5.978 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409016674 1071666764 /nfs/dbraw/zinc/66/67/64/1071666764.db2.gz VJADQJUVTMCDIH-WPWMEQJKSA-N 0 0 678.034 7.636 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3cccc(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409016404 1071668318 /nfs/dbraw/zinc/66/83/18/1071668318.db2.gz IHQZOKBWISHBLK-XNMXCUJWSA-N 0 0 646.769 5.385 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409015010 1071673375 /nfs/dbraw/zinc/67/33/75/1071673375.db2.gz RGEXCDCOHYKUGU-FMCGGJTJSA-N 0 0 525.830 6.387 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409014198 1071677189 /nfs/dbraw/zinc/67/71/89/1071677189.db2.gz GMRSIYHBOPBMSF-SJXDCSIJSA-N 0 0 629.804 5.411 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013258 1071680897 /nfs/dbraw/zinc/68/08/97/1071680897.db2.gz TWECZILZFZMLPS-UXHLAJHPSA-N 0 0 744.491 8.316 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012865 1071682535 /nfs/dbraw/zinc/68/25/35/1071682535.db2.gz LFARIKUAJDLLMK-LQKURTRISA-N 0 0 645.605 7.005 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409011349 1071687942 /nfs/dbraw/zinc/68/79/42/1071687942.db2.gz GFNIQQDZWIJYAN-UZWMFBFFSA-N 0 0 645.177 7.325 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409011170 1071688381 /nfs/dbraw/zinc/68/83/81/1071688381.db2.gz MPAGKZQDULJNIY-RUMWWMSVSA-N 0 0 641.193 6.712 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009785 1071694666 /nfs/dbraw/zinc/69/46/66/1071694666.db2.gz BYKQFDMAYVYYLJ-RDRPBHBLSA-N 0 0 700.040 8.207 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409009738 1071694690 /nfs/dbraw/zinc/69/46/90/1071694690.db2.gz BQSRPHPCEJPCGA-LSPPGFKNSA-N 0 0 551.646 6.141 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409009201 1071696653 /nfs/dbraw/zinc/69/66/53/1071696653.db2.gz ZLIKGHWRBXFYNS-FMCGGJTJSA-N 0 0 506.400 5.124 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)c(C)c3)C2=O)cc1OC ZINC000408760205 1071697365 /nfs/dbraw/zinc/69/73/65/1071697365.db2.gz UMEKJJGYQMHVTH-CPNJWEJPSA-N 0 0 557.815 6.742 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409017257 1071704388 /nfs/dbraw/zinc/70/43/88/1071704388.db2.gz FMHHVFWUWMBACR-NDZAJKAJSA-N 0 0 617.123 6.510 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409017193 1071704034 /nfs/dbraw/zinc/70/40/34/1071704034.db2.gz XQSJVZQAGFCHBM-MTDXEUNCSA-N 0 0 613.132 5.342 40 10 KKCBRN COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccc(Br)cc2)C1=O ZINC000408757935 1071709269 /nfs/dbraw/zinc/70/92/69/1071709269.db2.gz DVPSXDXIOGKTAK-XMHGGMMESA-N 0 0 523.839 7.160 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024450 1071711329 /nfs/dbraw/zinc/71/13/29/1071711329.db2.gz YMMGIYDPTVQYML-PYCBVSLESA-N 0 0 648.623 6.066 40 10 KKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(Br)cc2)C1=O ZINC000408766347 1071713993 /nfs/dbraw/zinc/71/39/93/1071713993.db2.gz UNVZICRDZSCOEG-XSFVSMFZSA-N 0 0 512.201 6.055 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409023749 1071714054 /nfs/dbraw/zinc/71/40/54/1071714054.db2.gz OLJNDAHLAXYODO-STBIYBPSSA-N 0 0 613.512 6.275 40 10 KKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408766362 1071714532 /nfs/dbraw/zinc/71/45/32/1071714532.db2.gz USXIGJJIBAWISX-CIAFOILYSA-N 0 0 502.195 6.599 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022392 1071719737 /nfs/dbraw/zinc/71/97/37/1071719737.db2.gz MVQDJSZRHBKNSA-HRIDGTDGSA-N 0 0 589.161 5.314 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 ZINC000409022164 1071719821 /nfs/dbraw/zinc/71/98/21/1071719821.db2.gz HFQYIRRZRZEDDQ-AOFXREQWSA-N 0 0 588.733 5.598 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409023065 1071716712 /nfs/dbraw/zinc/71/67/12/1071716712.db2.gz CKYQGFGULYNJTG-OGMUYLFESA-N 0 0 677.665 5.823 40 10 KKCBRN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1Cl ZINC000408767035 1071717197 /nfs/dbraw/zinc/71/71/97/1071717197.db2.gz YPIAKYKLENSIJO-LDADJPATSA-N 0 0 510.373 6.269 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409022630 1071718543 /nfs/dbraw/zinc/71/85/43/1071718543.db2.gz DPUMJHMPJVFBEH-KFOJKGMOSA-N 0 0 657.789 5.098 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408765988 1071722387 /nfs/dbraw/zinc/72/23/87/1071722387.db2.gz CJJNFCAHIMIOBQ-VGEDDRPUSA-N 0 0 712.666 6.653 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409021625 1071722673 /nfs/dbraw/zinc/72/26/73/1071722673.db2.gz QTRHTOXSHRWLSK-FUYPNTDJSA-N 0 0 675.763 5.167 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=S ZINC000409021606 1071722742 /nfs/dbraw/zinc/72/27/42/1071722742.db2.gz POHXGJNDGSINSE-SXBRIOAWSA-N 0 0 612.711 7.673 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409021282 1071723538 /nfs/dbraw/zinc/72/35/38/1071723538.db2.gz ZXGOOIXSFZRAKM-SITPEIFSSA-N 0 0 582.440 5.275 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408765013 1071725124 /nfs/dbraw/zinc/72/51/24/1071725124.db2.gz BEUNPTGVEXBXOD-PXNMLYILSA-N 0 0 535.188 5.208 40 10 KKCBRN CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408765081 1071725530 /nfs/dbraw/zinc/72/55/30/1071725530.db2.gz WFTJOJQMGNLYOM-RCCKNPSSSA-N 0 0 536.882 7.218 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020705 1071725738 /nfs/dbraw/zinc/72/57/38/1071725738.db2.gz SGKIVZDCVJUXMR-JVWAILMASA-N 0 0 645.605 7.005 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)c1 ZINC000408764976 1071726481 /nfs/dbraw/zinc/72/64/81/1071726481.db2.gz ATPSNHGLHQVIDY-ZYQHFCLGSA-N 0 0 650.804 6.957 40 10 KKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408764777 1071727475 /nfs/dbraw/zinc/72/74/75/1071727475.db2.gz SPEZYISZUUHQPD-YBFXNURJSA-N 0 0 526.184 5.775 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000409019278 1071730511 /nfs/dbraw/zinc/73/05/11/1071730511.db2.gz INOHIUYITPRDJE-PDERCVKFSA-N 0 0 580.575 5.691 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408763608 1071731485 /nfs/dbraw/zinc/73/14/85/1071731485.db2.gz OFOHILVSLPAOJD-UYRXBGFRSA-N 0 0 528.371 5.249 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409018679 1071732127 /nfs/dbraw/zinc/73/21/27/1071732127.db2.gz ICFJFPBEXCNRTD-MTDXEUNCSA-N 0 0 635.113 6.649 40 10 KKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408762629 1071735589 /nfs/dbraw/zinc/73/55/89/1071735589.db2.gz LMYCSKYLIDYBLN-LFVJCYFKSA-N 0 0 532.235 7.199 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409017692 1071735688 /nfs/dbraw/zinc/73/56/88/1071735688.db2.gz VPZVGKFPSZRBQP-BIZUNTBRSA-N 0 0 675.638 7.365 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409018062 1071733998 /nfs/dbraw/zinc/73/39/98/1071733998.db2.gz QILQEOLLBWAZPA-OIUASMPBSA-N 0 0 662.208 5.743 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408762851 1071734126 /nfs/dbraw/zinc/73/41/26/1071734126.db2.gz MQQNCOONQJRZLM-XSFVSMFZSA-N 0 0 523.839 7.160 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409017785 1071734760 /nfs/dbraw/zinc/73/47/60/1071734760.db2.gz FZQJVGLGBQKGOZ-IMRQLAEWSA-N 0 0 581.585 5.215 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409017587 1071735211 /nfs/dbraw/zinc/73/52/11/1071735211.db2.gz VGGZMIDOIVSHAG-KQWNVCNZSA-N 0 0 524.539 6.389 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409017856 1071735266 /nfs/dbraw/zinc/73/52/66/1071735266.db2.gz GFKTZHCPRHGFGC-KWXFCVSUSA-N 0 0 539.053 6.314 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408761580 1071739375 /nfs/dbraw/zinc/73/93/75/1071739375.db2.gz GJAPQKNQFNVKDG-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408761361 1071739398 /nfs/dbraw/zinc/73/93/98/1071739398.db2.gz IWYMDIZTAJAPGN-CPNJWEJPSA-N 0 0 510.815 6.899 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408777230 1071746073 /nfs/dbraw/zinc/74/60/73/1071746073.db2.gz WXCOSUMEHQEKES-PGECNJAHSA-N 0 0 509.433 6.835 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000409036109 1071746532 /nfs/dbraw/zinc/74/65/32/1071746532.db2.gz KOHOYCCCENPJKP-NULZLWRNSA-N 0 0 590.145 5.646 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035319 1071752475 /nfs/dbraw/zinc/75/24/75/1071752475.db2.gz JPLMRTIHYURIJR-MOJRYILESA-N 0 0 804.749 7.042 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000409035335 1071752481 /nfs/dbraw/zinc/75/24/81/1071752481.db2.gz PPBPSWBFRZWTHH-XIHDXPBISA-N 0 0 687.031 6.550 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000409034710 1071757618 /nfs/dbraw/zinc/75/76/18/1071757618.db2.gz IDOZMTSEBDBVKP-KEPJHFNWSA-N 0 0 635.142 5.556 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034838 1071755984 /nfs/dbraw/zinc/75/59/84/1071755984.db2.gz REDAURXLZGJIBF-ACHQHTMYSA-N 0 0 641.834 6.299 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)sc2=N1 ZINC000409034389 1071759917 /nfs/dbraw/zinc/75/99/17/1071759917.db2.gz NMAQYDAJARPWNL-ZPMAPHDVSA-N 0 0 672.634 7.092 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(I)cc(I)cc2/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409033714 1071768297 /nfs/dbraw/zinc/76/82/97/1071768297.db2.gz OZWWXISRMOENRH-MFOYZWKCSA-N 0 0 782.241 7.153 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000409033373 1071769548 /nfs/dbraw/zinc/76/95/48/1071769548.db2.gz LRNWHDRUIUSPBS-LZYBPNLTSA-N 0 0 646.325 6.910 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409033455 1071770610 /nfs/dbraw/zinc/77/06/10/1071770610.db2.gz LJHQFRLNZWGCID-WLRTZDKTSA-N 0 0 591.747 7.736 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033270 1071771628 /nfs/dbraw/zinc/77/16/28/1071771628.db2.gz KNWAWTFPWKOGQR-NPRXSWCKSA-N 0 0 738.888 7.061 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032739 1071778137 /nfs/dbraw/zinc/77/81/37/1071778137.db2.gz NBQBFBZZVOONES-ADVVJVSQSA-N 0 0 814.755 6.498 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409032404 1071780134 /nfs/dbraw/zinc/78/01/34/1071780134.db2.gz IXBIHVIIGVIWBC-NVNXTCNLSA-N 0 0 616.178 7.292 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408770303 1071785401 /nfs/dbraw/zinc/78/54/01/1071785401.db2.gz VVKGUMLUBZQRRY-UHFFFAOYSA-N 0 0 666.249 6.382 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409031984 1071784030 /nfs/dbraw/zinc/78/40/30/1071784030.db2.gz HTNLFPVIPDGGSJ-RZNTYIFUSA-N 0 0 596.166 8.381 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769742 1071790709 /nfs/dbraw/zinc/79/07/09/1071790709.db2.gz OHPASLNAYYNFSK-MNIFGUMRSA-N 0 0 776.491 5.899 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)c1 ZINC000408770364 1071786700 /nfs/dbraw/zinc/78/67/00/1071786700.db2.gz WNLGXLRJCLPRMK-WOSHRIRTSA-N 0 0 653.602 6.053 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2)cc1 ZINC000409031325 1071788641 /nfs/dbraw/zinc/78/86/41/1071788641.db2.gz AQQXXLIFZFVJQC-BOPFTXTBSA-N 0 0 502.395 5.416 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)sc2=N1 ZINC000409030909 1071792592 /nfs/dbraw/zinc/79/25/92/1071792592.db2.gz ILKLPTMLRBOARM-OGMUYLFESA-N 0 0 616.183 5.877 40 10 KKCBRN COc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409030304 1071798214 /nfs/dbraw/zinc/79/82/14/1071798214.db2.gz CZGCWURQPOFPOD-FPYGCLRLSA-N 0 0 634.080 5.406 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000409030337 1071798883 /nfs/dbraw/zinc/79/88/83/1071798883.db2.gz FLHPLOKHPLUZKU-NULZLWRNSA-N 0 0 681.596 5.598 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408768369 1071799739 /nfs/dbraw/zinc/79/97/39/1071799739.db2.gz WQYWQSKNDIRAEO-HAHDFKILSA-N 0 0 569.485 6.333 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409029881 1071802842 /nfs/dbraw/zinc/80/28/42/1071802842.db2.gz BWESGLMRLFGFMF-TUHQKKNWSA-N 0 0 612.708 5.715 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408767579 1071809248 /nfs/dbraw/zinc/80/92/48/1071809248.db2.gz MULVMUHFKOGIQK-ONUIUJJFSA-N 0 0 514.553 5.419 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408782255 1071811068 /nfs/dbraw/zinc/81/10/68/1071811068.db2.gz GEVXDCLSJQGSOE-GONGWJOBSA-N 0 0 591.708 6.012 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)cc1 ZINC000409037722 1071821782 /nfs/dbraw/zinc/82/17/82/1071821782.db2.gz YPRJGSXBXDHJKR-LICLKQGHSA-N 0 0 503.427 5.382 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408781178 1071819903 /nfs/dbraw/zinc/81/99/03/1071819903.db2.gz ARGHUMCQOLZDCA-WAHKBFHJSA-N 0 0 677.848 6.242 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409047078 1071826188 /nfs/dbraw/zinc/82/61/88/1071826188.db2.gz MRLIUUQTOPLCKN-UHFFFAOYSA-N 0 0 575.621 5.995 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)cc1Cl ZINC000409046970 1071826681 /nfs/dbraw/zinc/82/66/81/1071826681.db2.gz LSHXVDTWXARMCQ-LICLKQGHSA-N 0 0 578.368 8.115 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000409045555 1071825020 /nfs/dbraw/zinc/82/50/20/1071825020.db2.gz PYJUFUKYJOKLJY-ASUJOLEISA-N 0 0 627.763 5.170 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408778829 1071834693 /nfs/dbraw/zinc/83/46/93/1071834693.db2.gz MAKKDHIVVHMWDO-UHFFFAOYSA-N 0 0 611.811 8.310 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C1=O ZINC000409044855 1071846473 /nfs/dbraw/zinc/84/64/73/1071846473.db2.gz CWSXUVKEQNNQOE-LPYMAVHISA-N 0 0 654.742 7.572 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409044857 1071846656 /nfs/dbraw/zinc/84/66/56/1071846656.db2.gz DTLGKYCOIZHEPJ-CAOOACKPSA-N 0 0 584.670 7.507 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408786659 1071848182 /nfs/dbraw/zinc/84/81/82/1071848182.db2.gz LRWXNUOBXBMRNS-HNVAQCFTSA-N 0 0 745.708 6.978 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000409043890 1071853861 /nfs/dbraw/zinc/85/38/61/1071853861.db2.gz FRBWMOYFHDXALD-SXGWCWSVSA-N 0 0 571.727 7.183 40 10 KKCBRN COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409043971 1071854404 /nfs/dbraw/zinc/85/44/04/1071854404.db2.gz AHRGGTUHZPGLED-RGVLZGJSSA-N 0 0 542.331 5.156 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409043817 1071856312 /nfs/dbraw/zinc/85/63/12/1071856312.db2.gz ZUHSPJHSKRJBKM-CXUHLZMHSA-N 0 0 504.415 5.812 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)S2)cc1 ZINC000408785305 1071857083 /nfs/dbraw/zinc/85/70/83/1071857083.db2.gz YIGUPLCQZVXBID-DDIUQFJASA-N 0 0 588.571 7.598 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409043677 1071857756 /nfs/dbraw/zinc/85/77/56/1071857756.db2.gz YZTLWXPHTFGLQE-AWNIVKPZSA-N 0 0 636.198 7.845 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408784715 1071860830 /nfs/dbraw/zinc/86/08/30/1071860830.db2.gz SAQIGSOFIFXFLR-NBQDTTAVSA-N 0 0 576.653 5.774 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(I)c1OC(C)C ZINC000409043191 1071861324 /nfs/dbraw/zinc/86/13/24/1071861324.db2.gz YBQVJMJJQKYASO-WZUFQYTHSA-N 0 0 615.134 6.343 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(C)c(I)c1 ZINC000409042841 1071863725 /nfs/dbraw/zinc/86/37/25/1071863725.db2.gz XXYYSZSWKMPROR-PXNMLYILSA-N 0 0 585.314 6.509 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409042906 1071864317 /nfs/dbraw/zinc/86/43/17/1071864317.db2.gz LKVUHAZFHDOEHW-LZYBPNLTSA-N 0 0 615.780 7.582 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409042807 1071866217 /nfs/dbraw/zinc/86/62/17/1071866217.db2.gz XVXXFQQKTNZRBO-MTJSOVHGSA-N 0 0 506.487 6.284 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409042282 1071870934 /nfs/dbraw/zinc/87/09/34/1071870934.db2.gz XCNASYQDPWOXRJ-GWRYVSOYSA-N 0 0 654.616 6.308 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409042523 1071870377 /nfs/dbraw/zinc/87/03/77/1071870377.db2.gz YCHPIPJFDUODGW-VGOFMYFVSA-N 0 0 557.302 7.083 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408797139 1071876233 /nfs/dbraw/zinc/87/62/33/1071876233.db2.gz BJROIMZKXGEIFU-CBVZZAEXSA-N 0 0 520.722 8.301 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408783196 1071872522 /nfs/dbraw/zinc/87/25/22/1071872522.db2.gz KZNQXZBROBAUIP-XKZIYDEJSA-N 0 0 529.851 7.322 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000409042184 1071873365 /nfs/dbraw/zinc/87/33/65/1071873365.db2.gz WQLGOTLQLOFFOT-MIUGUJGPSA-N 0 0 624.590 6.301 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409041399 1071879461 /nfs/dbraw/zinc/87/94/61/1071879461.db2.gz VOPOXYNZWHTZHN-MKMNVTDBSA-N 0 0 708.175 7.043 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408791197 1071891629 /nfs/dbraw/zinc/89/16/29/1071891629.db2.gz WKZIVFVXOOIRON-MOSHPQCFSA-N 0 0 571.844 6.542 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039638 1071895814 /nfs/dbraw/zinc/89/58/14/1071895814.db2.gz HEPAMDVULIAYBF-ZJKBLPEWSA-N 0 0 709.840 6.720 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409038795 1071904214 /nfs/dbraw/zinc/90/42/14/1071904214.db2.gz VUXZKIXRJHCIOV-JAIQZWGSSA-N 0 0 506.487 6.202 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408805874 1071905616 /nfs/dbraw/zinc/90/56/16/1071905616.db2.gz LYWINUBXQCVYHS-XDFQABSLSA-N 0 0 526.770 8.446 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039439 1071899884 /nfs/dbraw/zinc/89/98/84/1071899884.db2.gz GOFGJIPCAMABKU-SELCLYCASA-N 0 0 725.649 5.915 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409056139 1071923156 /nfs/dbraw/zinc/92/31/56/1071923156.db2.gz KWGUUXSZQUADGT-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409054868 1071931054 /nfs/dbraw/zinc/93/10/54/1071931054.db2.gz GYUZEXCNMMXYPW-UHFFFAOYSA-N 0 0 556.210 5.804 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409054742 1071932158 /nfs/dbraw/zinc/93/21/58/1071932158.db2.gz NOIFTISNNNQGQS-CFRMEGHHSA-N 0 0 670.421 8.286 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409054524 1071933172 /nfs/dbraw/zinc/93/31/72/1071933172.db2.gz BETBHVKEZXOMMD-ONUIUJJFSA-N 0 0 514.578 5.157 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409052031 1071949230 /nfs/dbraw/zinc/94/92/30/1071949230.db2.gz PORNJSQIVRJWBK-ROTLSHHCSA-N 0 0 523.510 7.706 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409050853 1071956223 /nfs/dbraw/zinc/95/62/23/1071956223.db2.gz BGYDBBXINNBJIB-CFRMEGHHSA-N 0 0 623.421 8.443 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049972 1071961636 /nfs/dbraw/zinc/96/16/36/1071961636.db2.gz RTXAZWDQVVRKLV-OMTNQSMISA-N 0 0 738.734 7.326 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409049403 1071965580 /nfs/dbraw/zinc/96/55/80/1071965580.db2.gz QRQJTHNSUQFOQU-LZYBPNLTSA-N 0 0 554.874 6.958 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409047821 1071976226 /nfs/dbraw/zinc/97/62/26/1071976226.db2.gz NGAOIAWQSGLKFJ-YRNVUSSQSA-N 0 0 531.662 6.864 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000409047538 1071978261 /nfs/dbraw/zinc/97/82/61/1071978261.db2.gz OHLWNZWKJOKSBN-DJKKODMXSA-N 0 0 618.709 6.727 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409058967 1071983986 /nfs/dbraw/zinc/98/39/86/1071983986.db2.gz PYCGEDATZSHEKL-KQWNVCNZSA-N 0 0 502.542 5.287 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058687 1071985845 /nfs/dbraw/zinc/98/58/45/1071985845.db2.gz VDGGSSLMKCZFOV-BEXDPUPVSA-N 0 0 505.014 6.190 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058691 1071985885 /nfs/dbraw/zinc/98/58/85/1071985885.db2.gz VDGGSSLMKCZFOV-XHFXOGKZSA-N 0 0 505.014 6.190 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409057884 1071989753 /nfs/dbraw/zinc/98/97/53/1071989753.db2.gz LQISAGVKOPYRCD-OYKKKHCWSA-N 0 0 508.540 6.607 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409063097 1071996877 /nfs/dbraw/zinc/99/68/77/1071996877.db2.gz GVMKSBJGQKHHLA-BIWBSIMWSA-N 0 0 546.092 5.168 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409066257 1072003531 /nfs/dbraw/zinc/00/35/31/1072003531.db2.gz HRPXRGAAWUGMCQ-MYKKPKGFSA-N 0 0 509.433 6.895 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409064341 1072015656 /nfs/dbraw/zinc/01/56/56/1072015656.db2.gz CBZFFKMZAZSBOJ-ACJNQYEBSA-N 0 0 569.130 5.436 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409064838 1072012669 /nfs/dbraw/zinc/01/26/69/1072012669.db2.gz QEBIFUKDTXEZIF-GORIGYSASA-N 0 0 704.205 5.224 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409063750 1072018951 /nfs/dbraw/zinc/01/89/51/1072018951.db2.gz MPBZCSNEZUVCFM-ZSJKCPIUSA-N 0 0 566.510 5.513 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409063684 1072020357 /nfs/dbraw/zinc/02/03/57/1072020357.db2.gz AYVICNMVIQXGDG-STZFKDTASA-N 0 0 506.986 5.642 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409062556 1072023474 /nfs/dbraw/zinc/02/34/74/1072023474.db2.gz WRXSKHBYDBQKIF-OYKKKHCWSA-N 0 0 505.014 6.250 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409061988 1072026193 /nfs/dbraw/zinc/02/61/93/1072026193.db2.gz LBRFYEUWWBQOIB-MTJSOVHGSA-N 0 0 541.431 6.295 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409061821 1072026447 /nfs/dbraw/zinc/02/64/47/1072026447.db2.gz IQEASOFKJFNBJC-QCLXOHTFSA-N 0 0 593.749 5.323 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409062103 1072026492 /nfs/dbraw/zinc/02/64/92/1072026492.db2.gz NPSDMOCKLZBSTO-QQXSKIMKSA-N 0 0 519.041 6.722 40 10 KKCBRN COc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1Cl ZINC000409062886 1072022994 /nfs/dbraw/zinc/02/29/94/1072022994.db2.gz CJIJFKLNRCWUEV-UHFFFAOYSA-N 0 0 525.992 6.340 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409060671 1072032766 /nfs/dbraw/zinc/03/27/66/1072032766.db2.gz SNZQSSPQNUTLPH-RMORIDSASA-N 0 0 560.275 7.041 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409059834 1072037463 /nfs/dbraw/zinc/03/74/63/1072037463.db2.gz XQTJORXCXZVGTD-YDZHTSKRSA-N 0 0 606.473 5.457 40 10 KKCBRN O=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076666 1072049493 /nfs/dbraw/zinc/04/94/93/1072049493.db2.gz BOCMUJNFORDCOV-PLRJNAJWSA-N 0 0 514.990 5.942 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076046 1072054662 /nfs/dbraw/zinc/05/46/62/1072054662.db2.gz WXYPMANACODUCS-UDWIEESQSA-N 0 0 517.390 5.576 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409075569 1072058668 /nfs/dbraw/zinc/05/86/68/1072058668.db2.gz RYVVMOHZKMRLMT-UHFFFAOYSA-N 0 0 554.580 5.046 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409074643 1072067738 /nfs/dbraw/zinc/06/77/38/1072067738.db2.gz WEGNYOGSXRXBDX-QFEZKATASA-N 0 0 508.540 6.607 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073311 1072076685 /nfs/dbraw/zinc/07/66/85/1072076685.db2.gz GVRUTNHTIVEPDH-UDWIEESQSA-N 0 0 561.841 5.685 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409072871 1072079919 /nfs/dbraw/zinc/07/99/19/1072079919.db2.gz SVCWUKNVBCAATN-YVBHXKDBSA-N 0 0 606.144 5.267 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409072676 1072080763 /nfs/dbraw/zinc/08/07/63/1072080763.db2.gz RSJFBUKIRYLYRM-ACJNQYEBSA-N 0 0 569.130 5.436 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409072460 1072083572 /nfs/dbraw/zinc/08/35/72/1072083572.db2.gz SCANMNIFRFTABX-AWQFTUOYSA-N 0 0 505.199 6.261 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080586 1072121940 /nfs/dbraw/zinc/12/19/40/1072121940.db2.gz IPTJYUGNXCGQQH-UQQQWYQISA-N 0 0 588.299 7.625 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409079902 1072130273 /nfs/dbraw/zinc/13/02/73/1072130273.db2.gz GVRDVUHEJSAHIJ-XYGWBWBKSA-N 0 0 573.874 7.525 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409079644 1072130731 /nfs/dbraw/zinc/13/07/31/1072130731.db2.gz LNKTXWVNWPOJST-UHFFFAOYSA-N 0 0 584.928 6.532 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079682 1072131264 /nfs/dbraw/zinc/13/12/64/1072131264.db2.gz LNKQGRHIBYYCGR-SMLKNPDNSA-N 0 0 514.883 6.606 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079767 1072131748 /nfs/dbraw/zinc/13/17/48/1072131748.db2.gz LJABOTQZEOTOKR-IWIPYMOSSA-N 0 0 517.387 7.546 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)NC1=S ZINC000409079618 1072133629 /nfs/dbraw/zinc/13/36/29/1072133629.db2.gz LHKORJQCGIWMKI-IUXPMGMMSA-N 0 0 579.141 6.565 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OC ZINC000409079144 1072138193 /nfs/dbraw/zinc/13/81/93/1072138193.db2.gz KQISXVDAQABWHM-UYRXBGFRSA-N 0 0 510.331 5.143 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409077468 1072154201 /nfs/dbraw/zinc/15/42/01/1072154201.db2.gz FJAPVJKLEVDHCE-LELXDKESSA-N 0 0 571.889 5.904 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086795 1072161147 /nfs/dbraw/zinc/16/11/47/1072161147.db2.gz WYPSJLMORAYPAX-UHFFFAOYSA-N 0 0 743.432 7.993 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409077583 1072155744 /nfs/dbraw/zinc/15/57/44/1072155744.db2.gz FJZBXCXSDXIXAZ-NBZOHKLQSA-N 0 0 603.387 7.114 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409077290 1072157229 /nfs/dbraw/zinc/15/72/29/1072157229.db2.gz DLYMKNIJLPYJLR-HDOAHBKWSA-N 0 0 535.441 5.317 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409087261 1072157759 /nfs/dbraw/zinc/15/77/59/1072157759.db2.gz BWIFHZQAIALLKO-SYERDGIWSA-N 0 0 520.470 5.417 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409085327 1072177795 /nfs/dbraw/zinc/17/77/95/1072177795.db2.gz OFGYRRAWUZMLQX-BCUAHEQISA-N 0 0 538.460 5.556 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409085264 1072180440 /nfs/dbraw/zinc/18/04/40/1072180440.db2.gz WVXHQAHSISAILB-WCEBZYJUSA-N 0 0 568.942 6.460 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)NC1=S ZINC000409084583 1072189740 /nfs/dbraw/zinc/18/97/40/1072189740.db2.gz WVVDOBJVOULZGL-BKUYFWCQSA-N 0 0 511.441 5.658 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083913 1072195073 /nfs/dbraw/zinc/19/50/73/1072195073.db2.gz LVKHMDDXNSWUHY-IWIPYMOSSA-N 0 0 578.293 8.169 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409083983 1072195378 /nfs/dbraw/zinc/19/53/78/1072195378.db2.gz LZWDNWYLIRTVRG-UHFFFAOYSA-N 0 0 633.498 7.773 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409083461 1072199674 /nfs/dbraw/zinc/19/96/74/1072199674.db2.gz VKQHMJJZJSEPTI-UHFFFAOYSA-N 0 0 573.483 6.989 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409082731 1072207663 /nfs/dbraw/zinc/20/76/63/1072207663.db2.gz QVCQVSMBKXLYEE-WOJGMQOQSA-N 0 0 546.299 6.975 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409081455 1072222989 /nfs/dbraw/zinc/22/29/89/1072222989.db2.gz PGMAMWQIIKMBIT-ITYLOYPMSA-N 0 0 539.429 6.871 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409081955 1072218824 /nfs/dbraw/zinc/21/88/24/1072218824.db2.gz RANANZLRXJJHKJ-JMTCZITHSA-N 0 0 505.661 6.198 40 10 KKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409096970 1072231222 /nfs/dbraw/zinc/23/12/22/1072231222.db2.gz MSDWIPHTOUMATD-YZSQISJMSA-N 0 0 550.677 7.061 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1O ZINC000409095864 1072236663 /nfs/dbraw/zinc/23/66/63/1072236663.db2.gz IUBJIUVJKMYNOH-RGVLZGJSSA-N 0 0 559.438 5.961 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)c1 ZINC000409095003 1072242011 /nfs/dbraw/zinc/24/20/11/1072242011.db2.gz GTDOBTJPZKQZNY-STBIYBPSSA-N 0 0 581.669 7.626 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409326422 1072247608 /nfs/dbraw/zinc/24/76/08/1072247608.db2.gz BNCZYYFFZYUNEI-VXLYETTFSA-N 0 0 535.828 6.985 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409327079 1072243120 /nfs/dbraw/zinc/24/31/20/1072243120.db2.gz HPSYESNHLDTOBG-FSGOGVSDSA-N 0 0 673.597 8.981 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1O ZINC000409326876 1072244098 /nfs/dbraw/zinc/24/40/98/1072244098.db2.gz FUFYCGZVNCDDGU-AUWJEWJLSA-N 0 0 503.770 5.065 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3c(OC)ccc5ccccc53)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409094170 1072248250 /nfs/dbraw/zinc/24/82/50/1072248250.db2.gz CPVULWNPYBVFBM-YUEMOGKHSA-N 0 0 676.839 5.850 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409093042 1072257929 /nfs/dbraw/zinc/25/79/29/1072257929.db2.gz XSFPZBYZSAJONN-DZGUVLCISA-N 0 0 614.337 6.079 40 10 KKCBRN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409093041 1072257987 /nfs/dbraw/zinc/25/79/87/1072257987.db2.gz YUJNNVAXUWWXKK-MOHJPFBDSA-N 0 0 514.990 5.942 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)S1 ZINC000409092782 1072258394 /nfs/dbraw/zinc/25/83/94/1072258394.db2.gz WRKDBRKPFUBXRS-LZYBPNLTSA-N 0 0 589.103 5.660 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092216 1072263565 /nfs/dbraw/zinc/26/35/65/1072263565.db2.gz TYFWRBLPEMLUPJ-KVOZJBOISA-N 0 0 790.518 6.289 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409092266 1072263924 /nfs/dbraw/zinc/26/39/24/1072263924.db2.gz UUTDFTOEAIPFNN-ISRVBRPNSA-N 0 0 508.434 5.547 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Cl)cc1 ZINC000409092047 1072264828 /nfs/dbraw/zinc/26/48/28/1072264828.db2.gz SMDPPOFHDBJXIA-BWAHOGKJSA-N 0 0 529.017 6.251 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409092144 1072265675 /nfs/dbraw/zinc/26/56/75/1072265675.db2.gz VPVRAVACLSCJNN-LELXDKESSA-N 0 0 535.441 5.317 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 ZINC000409090099 1072284461 /nfs/dbraw/zinc/28/44/61/1072284461.db2.gz QNPWNCMTSFDCGF-BUVRLJJBSA-N 0 0 503.624 5.785 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000409088933 1072295006 /nfs/dbraw/zinc/29/50/06/1072295006.db2.gz LECGZFCJRMVIJX-VMCUCKNMSA-N 0 0 646.769 5.467 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088688 1072295030 /nfs/dbraw/zinc/29/50/30/1072295030.db2.gz XKUZHZOWSVXFGZ-OYKKKHCWSA-N 0 0 657.189 8.932 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409087931 1072304329 /nfs/dbraw/zinc/30/43/29/1072304329.db2.gz IWSJQXAQKPGTSU-ONUIUJJFSA-N 0 0 571.446 7.400 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)SC2=S)c1 ZINC000409102093 1072311172 /nfs/dbraw/zinc/31/11/72/1072311172.db2.gz XVEUXNICYQZHNU-JVWAILMASA-N 0 0 609.531 8.370 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409087477 1072308673 /nfs/dbraw/zinc/30/86/73/1072308673.db2.gz CQVIFBMWIIWQLZ-XHPQRKPJSA-N 0 0 573.468 6.360 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102210 1072309493 /nfs/dbraw/zinc/30/94/93/1072309493.db2.gz DDIQCWLHZVFSEO-HTDPGAKESA-N 0 0 648.785 5.402 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Cl)c1O ZINC000409100696 1072318105 /nfs/dbraw/zinc/31/81/05/1072318105.db2.gz WHZRZWDARKJEKS-CIAFOILYSA-N 0 0 529.014 6.242 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C2=O)cc1 ZINC000409099664 1072323877 /nfs/dbraw/zinc/32/38/77/1072323877.db2.gz RTQISFYCTUGQDC-ZMOGYAJESA-N 0 0 540.041 5.830 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409099270 1072326823 /nfs/dbraw/zinc/32/68/23/1072326823.db2.gz KQZRIZNXVMZXTQ-LFVJCYFKSA-N 0 0 505.640 6.330 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)c(Br)c3)C2=O)cc1 ZINC000409098723 1072330360 /nfs/dbraw/zinc/33/03/60/1072330360.db2.gz OXQSAEYWBDXOSW-KGENOOAVSA-N 0 0 532.460 5.369 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409098608 1072331366 /nfs/dbraw/zinc/33/13/66/1072331366.db2.gz PJFLJVPFUXMNQY-GSASKQFNSA-N 0 0 604.776 5.673 40 10 KKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409098374 1072331802 /nfs/dbraw/zinc/33/18/02/1072331802.db2.gz LDTWBLUATIHXRH-YDZHTSKRSA-N 0 0 571.493 7.034 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409098293 1072333145 /nfs/dbraw/zinc/33/31/45/1072333145.db2.gz OFZDCSCCDKTDGZ-UVHMKAGCSA-N 0 0 688.427 9.132 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409335904 1072334848 /nfs/dbraw/zinc/33/48/48/1072334848.db2.gz ZPIQWVCALKCCRV-ZVHZXABRSA-N 0 0 520.035 6.965 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409335902 1072334929 /nfs/dbraw/zinc/33/49/29/1072334929.db2.gz ZPBSXCTTZQSXQG-ZVHZXABRSA-N 0 0 566.617 6.166 40 10 KKCBRN CCCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409097628 1072336061 /nfs/dbraw/zinc/33/60/61/1072336061.db2.gz NLKPOKCFSMJBRV-PCLIKHOPSA-N 0 0 515.635 6.849 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409335747 1072336305 /nfs/dbraw/zinc/33/63/05/1072336305.db2.gz ZFDBMIUXYXDHDC-UFFVCSGVSA-N 0 0 707.236 8.354 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 ZINC000409097395 1072338317 /nfs/dbraw/zinc/33/83/17/1072338317.db2.gz NMYHZNLBDFCYPS-UDWIEESQSA-N 0 0 513.413 6.246 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409335398 1072339834 /nfs/dbraw/zinc/33/98/34/1072339834.db2.gz ZNZCBDSJZRYDRL-BUVRLJJBSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409335381 1072339844 /nfs/dbraw/zinc/33/98/44/1072339844.db2.gz ZLSSYUKTUFZGER-YVNNLAQVSA-N 0 0 660.357 8.121 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409335142 1072340421 /nfs/dbraw/zinc/34/04/21/1072340421.db2.gz YZUBWNZHLSWZBI-FMCGGJTJSA-N 0 0 534.461 7.516 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc2ccccc21 ZINC000409335074 1072341737 /nfs/dbraw/zinc/34/17/37/1072341737.db2.gz YTATTWHCNCFPHK-OYKKKHCWSA-N 0 0 544.032 7.774 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409106609 1072342974 /nfs/dbraw/zinc/34/29/74/1072342974.db2.gz OFJKEZVBGBTUDN-STBIYBPSSA-N 0 0 677.617 8.532 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4cccc5cccnc54)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409334555 1072344445 /nfs/dbraw/zinc/34/44/45/1072344445.db2.gz GYMVKJHFIZOHPF-IZZVBFKTSA-N 0 0 596.734 5.157 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000409334838 1072344665 /nfs/dbraw/zinc/34/46/65/1072344665.db2.gz WNIMGVWWRZLXJU-GRSHGNNSSA-N 0 0 522.442 5.771 40 10 KKCBRN O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334447 1072345829 /nfs/dbraw/zinc/34/58/29/1072345829.db2.gz XXKVJJWRWSIETD-MKMNVTDBSA-N 0 0 507.631 6.410 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409105974 1072346165 /nfs/dbraw/zinc/34/61/65/1072346165.db2.gz KHQVEBFLCNPPJK-LPYMAVHISA-N 0 0 587.492 6.654 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334257 1072346314 /nfs/dbraw/zinc/34/63/14/1072346314.db2.gz VLSWKDKNGFDOAS-AWQFTUOYSA-N 0 0 615.836 8.228 40 10 KKCBRN CCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1 ZINC000409105988 1072346667 /nfs/dbraw/zinc/34/66/67/1072346667.db2.gz KITJSSLXGXMRGS-LFVJCYFKSA-N 0 0 506.624 6.663 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409334325 1072346689 /nfs/dbraw/zinc/34/66/89/1072346689.db2.gz XCUYBVWLPBJSFS-BKUYFWCQSA-N 0 0 512.590 5.077 40 10 KKCBRN O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(Br)cc1 ZINC000409334342 1072347281 /nfs/dbraw/zinc/34/72/81/1072347281.db2.gz XBKFYVHYDOGXGG-RGVLZGJSSA-N 0 0 572.868 7.383 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC(=O)OC)c(OCC)c3)SC2=S)cc1 ZINC000409334175 1072348019 /nfs/dbraw/zinc/34/80/19/1072348019.db2.gz UUPIOSMOYAALOZ-XDHOZWIPSA-N 0 0 599.468 5.046 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409334173 1072348167 /nfs/dbraw/zinc/34/81/67/1072348167.db2.gz UUGVMPXDNACNKG-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409105304 1072351187 /nfs/dbraw/zinc/35/11/87/1072351187.db2.gz MMBOIJFBEZFPRI-HYARGMPZSA-N 0 0 557.466 6.645 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409332868 1072357700 /nfs/dbraw/zinc/35/77/00/1072357700.db2.gz SGYFKWRVXBRNAT-SSDVNMTOSA-N 0 0 520.434 7.126 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409105165 1072352097 /nfs/dbraw/zinc/35/20/97/1072352097.db2.gz JLMHPBSOPVLJFQ-ITNPZBTBSA-N 0 0 694.639 5.433 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409333568 1072352555 /nfs/dbraw/zinc/35/25/55/1072352555.db2.gz STXRBRAGKPSHKT-JMIUGGIZSA-N 0 0 615.836 8.228 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409333626 1072352874 /nfs/dbraw/zinc/35/28/74/1072352874.db2.gz UWJGGOFSBYMWIT-MOSHPQCFSA-N 0 0 500.439 6.415 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409333662 1072352961 /nfs/dbraw/zinc/35/29/61/1072352961.db2.gz UYYUMEBSUBXPLD-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409333497 1072353767 /nfs/dbraw/zinc/35/37/67/1072353767.db2.gz SMLMRCLTHROEFZ-WGOQTCKBSA-N 0 0 611.583 7.395 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1C ZINC000409333460 1072353782 /nfs/dbraw/zinc/35/37/82/1072353782.db2.gz TXQNCEKDKYWULX-YDZHTSKRSA-N 0 0 630.973 6.283 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409332933 1072358091 /nfs/dbraw/zinc/35/80/91/1072358091.db2.gz SWQWDKCOLNWMDL-CIAFOILYSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333312 1072354529 /nfs/dbraw/zinc/35/45/29/1072354529.db2.gz RTMXYCYKDGZGNS-XKZIYDEJSA-N 0 0 605.373 7.513 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)cc1 ZINC000409103761 1072358453 /nfs/dbraw/zinc/35/84/53/1072358453.db2.gz FQXGJCDYHGVJEV-UXHLAJHPSA-N 0 0 660.590 7.509 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409332997 1072356790 /nfs/dbraw/zinc/35/67/90/1072356790.db2.gz UHIVFVRZBFIJMC-WSDLNYQXSA-N 0 0 562.963 7.809 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409332509 1072359373 /nfs/dbraw/zinc/35/93/73/1072359373.db2.gz PSIIAPNDMDBYTH-SRZZPIQSSA-N 0 0 530.580 5.216 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c1 ZINC000409103669 1072359602 /nfs/dbraw/zinc/35/96/02/1072359602.db2.gz BAIVAONQXGAKNK-WPWMEQJKSA-N 0 0 575.086 7.716 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1Cl ZINC000409332630 1072360269 /nfs/dbraw/zinc/36/02/69/1072360269.db2.gz QRFQWCFDJZUBLX-YSMPRRRNSA-N 0 0 518.059 7.487 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409332415 1072360575 /nfs/dbraw/zinc/36/05/75/1072360575.db2.gz RJDVEZRGLYTTCC-MYKKPKGFSA-N 0 0 592.496 6.177 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409332395 1072360738 /nfs/dbraw/zinc/36/07/38/1072360738.db2.gz RCCVANJROJMWRC-NHDPSOOVSA-N 0 0 614.892 8.115 40 10 KKCBRN O=C(COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O)N1CCOCC1 ZINC000409103301 1072361057 /nfs/dbraw/zinc/36/10/57/1072361057.db2.gz XWMVZVQBIWOIAU-PCLIKHOPSA-N 0 0 656.555 5.484 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409332417 1072361254 /nfs/dbraw/zinc/36/12/54/1072361254.db2.gz RJJUZJZZAOZSTP-ZBKNUEDVSA-N 0 0 650.281 8.881 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409103417 1072361443 /nfs/dbraw/zinc/36/14/43/1072361443.db2.gz WLPVVRLZKYQCRM-SVXDAGRPSA-N 0 0 582.770 5.137 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409332250 1072362041 /nfs/dbraw/zinc/36/20/41/1072362041.db2.gz PXRPJMXNOHEFIT-OEAKJJBVSA-N 0 0 633.973 6.635 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409332292 1072362403 /nfs/dbraw/zinc/36/24/03/1072362403.db2.gz QCQAWOXLOYKDBF-MTJSOVHGSA-N 0 0 638.892 6.846 40 10 KKCBRN COc1cc(C)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1C(C)C ZINC000409102880 1072363258 /nfs/dbraw/zinc/36/32/58/1072363258.db2.gz BQKKRCDCJJEXQX-MFKUBSTISA-N 0 0 520.651 6.924 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409332350 1072363359 /nfs/dbraw/zinc/36/33/59/1072363359.db2.gz QVNCOFZLRFMRPQ-QFEZKATASA-N 0 0 536.650 6.265 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409330912 1072372881 /nfs/dbraw/zinc/37/28/81/1072372881.db2.gz NMCDDHYACQOILO-SSDVNMTOSA-N 0 0 629.812 8.793 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1C ZINC000409332064 1072366161 /nfs/dbraw/zinc/36/61/61/1072366161.db2.gz PWXBODGCBHRHTA-QRVIBDJDSA-N 0 0 540.644 5.694 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409331816 1072366504 /nfs/dbraw/zinc/36/65/04/1072366504.db2.gz OCMOOGHOALCDKE-UCQKPKSFSA-N 0 0 540.504 7.059 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3OC)SC2=S)cc1 ZINC000409331734 1072367807 /nfs/dbraw/zinc/36/78/07/1072367807.db2.gz OSMDCXGKONDXCZ-DHRITJCHSA-N 0 0 534.703 5.718 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1 ZINC000409330967 1072373308 /nfs/dbraw/zinc/37/33/08/1072373308.db2.gz MSSAFGUDKVLUMT-QQXSKIMKSA-N 0 0 502.060 7.786 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000409330971 1072373333 /nfs/dbraw/zinc/37/33/33/1072373333.db2.gz NTKVUOQWVDYYAR-ZMOGYAJESA-N 0 0 509.027 6.897 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409330703 1072375349 /nfs/dbraw/zinc/37/53/49/1072375349.db2.gz LEBPBKKGRZVQHU-SRZZPIQSSA-N 0 0 611.417 7.583 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330014 1072381524 /nfs/dbraw/zinc/38/15/24/1072381524.db2.gz JPBAQPFCWDWDMM-QQXSKIMKSA-N 0 0 532.687 6.550 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409329766 1072381968 /nfs/dbraw/zinc/38/19/68/1072381968.db2.gz ICXUIWQMDQFDHC-CIAFOILYSA-N 0 0 625.791 7.858 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409329761 1072381979 /nfs/dbraw/zinc/38/19/79/1072381979.db2.gz ICNAQXYUSRMIEQ-DHRITJCHSA-N 0 0 622.437 8.587 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409330066 1072379471 /nfs/dbraw/zinc/37/94/71/1072379471.db2.gz KDQRQSKVDMHWJW-WGOQTCKBSA-N 0 0 701.007 7.622 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409330116 1072379927 /nfs/dbraw/zinc/37/99/27/1072379927.db2.gz IXFQWUBNPBKNIA-NKVSQWTQSA-N 0 0 619.311 8.760 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409330166 1072380482 /nfs/dbraw/zinc/38/04/82/1072380482.db2.gz JTSKEHNAPCXYSO-WOJGMQOQSA-N 0 0 508.930 6.165 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409329905 1072380543 /nfs/dbraw/zinc/38/05/43/1072380543.db2.gz IPKJRTXUUNKNTP-QRVIBDJDSA-N 0 0 549.033 5.797 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409329861 1072383050 /nfs/dbraw/zinc/38/30/50/1072383050.db2.gz HUOFOALBLTYEAV-YBEGLDIGSA-N 0 0 542.376 5.013 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409329620 1072383455 /nfs/dbraw/zinc/38/34/55/1072383455.db2.gz GKIJVJNWYUAGBN-WPWMEQJKSA-N 0 0 562.713 6.641 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409329617 1072383481 /nfs/dbraw/zinc/38/34/81/1072383481.db2.gz GISKVVNWXWAMQK-WOJGMQOQSA-N 0 0 512.878 6.696 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409329468 1072384345 /nfs/dbraw/zinc/38/43/45/1072384345.db2.gz FWDNQLHMFUQBGI-OEAKJJBVSA-N 0 0 526.477 6.751 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409329475 1072384356 /nfs/dbraw/zinc/38/43/56/1072384356.db2.gz GFMOZFOIUXCQLG-SSDVNMTOSA-N 0 0 674.263 8.902 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409329299 1072385250 /nfs/dbraw/zinc/38/52/50/1072385250.db2.gz DIHQFAYGFXPIIB-PKAZHMFMSA-N 0 0 590.564 8.294 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329374 1072385825 /nfs/dbraw/zinc/38/58/25/1072385825.db2.gz FBMUBHRSUVHGKB-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409329209 1072386615 /nfs/dbraw/zinc/38/66/15/1072386615.db2.gz CBRDTHJSDMRIEJ-FOKLQQMPSA-N 0 0 609.394 8.366 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)cc(Br)c2OC)SC1=S ZINC000409329199 1072386629 /nfs/dbraw/zinc/38/66/29/1072386629.db2.gz DTYGJWRGBFZFSO-OVCLIPMQSA-N 0 0 515.248 5.635 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328881 1072388396 /nfs/dbraw/zinc/38/83/96/1072388396.db2.gz BTCCYCFQPJZAEB-UUYOSTAYSA-N 0 0 636.464 6.722 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC ZINC000409328872 1072388436 /nfs/dbraw/zinc/38/84/36/1072388436.db2.gz BSMYHRWYFGQAET-NVNXTCNLSA-N 0 0 551.349 5.733 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329139 1072388451 /nfs/dbraw/zinc/38/84/51/1072388451.db2.gz CZRGHJGCZQYDBH-FBHDLOMBSA-N 0 0 613.755 7.989 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409328747 1072389877 /nfs/dbraw/zinc/38/98/77/1072389877.db2.gz APCPGJCZPSLMEX-YDZHTSKRSA-N 0 0 545.513 7.053 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)c1 ZINC000409328799 1072390372 /nfs/dbraw/zinc/39/03/72/1072390372.db2.gz BAWNXEPKNKEYFO-SSDVNMTOSA-N 0 0 518.512 7.700 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409328817 1072390476 /nfs/dbraw/zinc/39/04/76/1072390476.db2.gz BDYXHQAFBGMINZ-MFOYZWKCSA-N 0 0 501.243 7.966 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409328599 1072390908 /nfs/dbraw/zinc/39/09/08/1072390908.db2.gz YJIFZJCKGGIEOL-BHGWPJFGSA-N 0 0 505.020 6.478 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409328517 1072392732 /nfs/dbraw/zinc/39/27/32/1072392732.db2.gz WXGFGIPKGDQPCO-XYGWBWBKSA-N 0 0 518.059 7.487 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409328512 1072392780 /nfs/dbraw/zinc/39/27/80/1072392780.db2.gz WUJSOIREHQDRPA-IWIPYMOSSA-N 0 0 565.629 5.425 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409328544 1072392788 /nfs/dbraw/zinc/39/27/88/1072392788.db2.gz XIDFCADVQXPMPO-LICLKQGHSA-N 0 0 511.249 7.422 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328273 1072393305 /nfs/dbraw/zinc/39/33/05/1072393305.db2.gz RBZKNXKRBYQSNV-UCQKPKSFSA-N 0 0 621.949 7.324 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S)c1ccc(Cl)cc1 ZINC000409328210 1072395128 /nfs/dbraw/zinc/39/51/28/1072395128.db2.gz QADIBFLYFVKILP-XYGWBWBKSA-N 0 0 531.058 6.618 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409327741 1072398325 /nfs/dbraw/zinc/39/83/25/1072398325.db2.gz MFACNRVTHIADID-QRVIBDJDSA-N 0 0 558.544 7.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409327768 1072398692 /nfs/dbraw/zinc/39/86/92/1072398692.db2.gz MQUKSINXSJTMHQ-QGMBQPNBSA-N 0 0 601.306 7.282 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC ZINC000409327770 1072398786 /nfs/dbraw/zinc/39/87/86/1072398786.db2.gz MSCJYCABGSNRMA-GIJQJNRQSA-N 0 0 555.415 5.223 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409327777 1072398799 /nfs/dbraw/zinc/39/87/99/1072398799.db2.gz MTCMFTKBBUACQU-UFFVCSGVSA-N 0 0 707.236 8.354 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409327595 1072399577 /nfs/dbraw/zinc/39/95/77/1072399577.db2.gz LDCJSZATPUVWRM-QRVIBDJDSA-N 0 0 535.603 5.335 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409109178 1072400986 /nfs/dbraw/zinc/40/09/86/1072400986.db2.gz ZEGLBHRMKWPPCD-ITNPZBTBSA-N 0 0 710.638 5.133 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409327353 1072402458 /nfs/dbraw/zinc/40/24/58/1072402458.db2.gz JGHIWPXDHAFUAA-MTJSOVHGSA-N 0 0 579.310 7.336 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409108552 1072405773 /nfs/dbraw/zinc/40/57/73/1072405773.db2.gz WSWDOTCRYZZXCB-PIXWUVMMSA-N 0 0 611.570 5.957 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1 ZINC000409108471 1072407405 /nfs/dbraw/zinc/40/74/05/1072407405.db2.gz UJOQITOXOCYDFM-FSJBWODESA-N 0 0 544.460 6.475 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409347307 1072408553 /nfs/dbraw/zinc/40/85/53/1072408553.db2.gz PEMMMRJVZGFGKT-ZMFRSBBQSA-N 0 0 557.653 5.813 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409346840 1072411186 /nfs/dbraw/zinc/41/11/86/1072411186.db2.gz LNXAHNAGAMSSHH-SSDVNMTOSA-N 0 0 668.816 7.297 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000409346710 1072412961 /nfs/dbraw/zinc/41/29/61/1072412961.db2.gz LCXUCQONHQWHNR-HYARGMPZSA-N 0 0 589.476 6.293 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409346742 1072413480 /nfs/dbraw/zinc/41/34/80/1072413480.db2.gz OIWVFHBLKKYUCX-BUVRLJJBSA-N 0 0 549.630 5.725 40 10 KKCBRN O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346723 1072413518 /nfs/dbraw/zinc/41/35/18/1072413518.db2.gz OGEFBNPCUQPKON-MKMNVTDBSA-N 0 0 508.189 5.709 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409346613 1072414490 /nfs/dbraw/zinc/41/44/90/1072414490.db2.gz LRXOKGGLMKINCK-ZMOGYAJESA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409346661 1072415036 /nfs/dbraw/zinc/41/50/36/1072415036.db2.gz OBYSHEVLPJQYTE-QRQIAZFYSA-N 0 0 604.591 8.603 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000409123543 1072415324 /nfs/dbraw/zinc/41/53/24/1072415324.db2.gz GZWGFHNMGLISMD-XYGWBWBKSA-N 0 0 503.693 5.739 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409123533 1072415333 /nfs/dbraw/zinc/41/53/33/1072415333.db2.gz CMIHZRTXMWUZLN-ONUIUJJFSA-N 0 0 517.119 7.349 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409346471 1072415969 /nfs/dbraw/zinc/41/59/69/1072415969.db2.gz KVKLWXMEKZOKBU-YZSQISJMSA-N 0 0 531.703 6.299 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NCc1ccco1 ZINC000409123200 1072416916 /nfs/dbraw/zinc/41/69/16/1072416916.db2.gz AEYQLRLYQVNIME-JJFYIABZSA-N 0 0 552.475 5.719 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409346087 1072417474 /nfs/dbraw/zinc/41/74/74/1072417474.db2.gz NHIRHPHCRWGLMI-OYKKKHCWSA-N 0 0 565.629 5.425 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409123037 1072417958 /nfs/dbraw/zinc/41/79/58/1072417958.db2.gz DITDGBNIVQNPHP-AXTODWQFSA-N 0 0 562.555 5.185 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409123036 1072417997 /nfs/dbraw/zinc/41/79/97/1072417997.db2.gz DITDGBNIVQNPHP-AJHCRTPNSA-N 0 0 562.555 5.185 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409346187 1072418039 /nfs/dbraw/zinc/41/80/39/1072418039.db2.gz NLXUDTQVVCNPEE-UUYOSTAYSA-N 0 0 516.471 7.295 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(C)c1 ZINC000409346028 1072419722 /nfs/dbraw/zinc/41/97/22/1072419722.db2.gz MRNAMGDJKDJWHU-QRVIBDJDSA-N 0 0 544.923 7.704 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c1 ZINC000409346037 1072419754 /nfs/dbraw/zinc/41/97/54/1072419754.db2.gz MUATZJNPKSZOKX-BRJLIKDPSA-N 0 0 527.627 5.723 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409345846 1072420182 /nfs/dbraw/zinc/42/01/82/1072420182.db2.gz LWHORFCQWKGADX-WSDLNYQXSA-N 0 0 537.575 6.327 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000409345645 1072421192 /nfs/dbraw/zinc/42/11/92/1072421192.db2.gz JVDMIPVCALKWBI-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409345925 1072421209 /nfs/dbraw/zinc/42/12/09/1072421209.db2.gz LVGRHNKFUCBVIL-OEAKJJBVSA-N 0 0 637.948 7.337 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1Cl ZINC000409345677 1072421731 /nfs/dbraw/zinc/42/17/31/1072421731.db2.gz ITPMOLJUFSPRAU-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)c(OC)c3)SC2=S)cc1Cl ZINC000409345756 1072422264 /nfs/dbraw/zinc/42/22/64/1072422264.db2.gz JOELDFQJEXGKRH-BRJLIKDPSA-N 0 0 648.000 7.160 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409345787 1072422671 /nfs/dbraw/zinc/42/26/71/1072422671.db2.gz LZPFCSNMCFZAJS-JJFYIABZSA-N 0 0 536.889 7.640 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409345547 1072422722 /nfs/dbraw/zinc/42/27/22/1072422722.db2.gz JGBSJFHZTKXZCK-WYMPLXKRSA-N 0 0 525.095 7.610 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409345601 1072423302 /nfs/dbraw/zinc/42/33/02/1072423302.db2.gz JNBKQIFRGGVEPY-LPYMAVHISA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409345354 1072423704 /nfs/dbraw/zinc/42/37/04/1072423704.db2.gz LHBLTGWMFKEBEY-CFRMEGHHSA-N 0 0 638.436 8.205 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)SC2=S)cc1 ZINC000409345294 1072425868 /nfs/dbraw/zinc/42/58/68/1072425868.db2.gz KXSKUMDWBOBKPW-PCLIKHOPSA-N 0 0 536.631 6.377 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409345297 1072425886 /nfs/dbraw/zinc/42/58/86/1072425886.db2.gz KXWNSGOXXMAIDG-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409345279 1072425889 /nfs/dbraw/zinc/42/58/89/1072425889.db2.gz LDYLVUACAIJKRQ-JAIQZWGSSA-N 0 0 640.762 7.758 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1 ZINC000409345064 1072426387 /nfs/dbraw/zinc/42/63/87/1072426387.db2.gz KAGIOFUVMUJZNZ-OYKKKHCWSA-N 0 0 517.607 5.384 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409345093 1072426950 /nfs/dbraw/zinc/42/69/50/1072426950.db2.gz JSBZNHZHXRCMSS-YVLHZVERSA-N 0 0 589.860 5.301 40 10 KKCBRN Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409345058 1072428426 /nfs/dbraw/zinc/42/84/26/1072428426.db2.gz LERNEDQZHITFDU-NVQSTNCTSA-N 0 0 554.463 6.198 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409344839 1072428957 /nfs/dbraw/zinc/42/89/57/1072428957.db2.gz HNFYUKOBFQZAKG-WSDLNYQXSA-N 0 0 627.447 7.303 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409344663 1072430056 /nfs/dbraw/zinc/43/00/56/1072430056.db2.gz GFRMPCPIGNOUPU-HMAPJEAMSA-N 0 0 560.922 7.486 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409344517 1072431083 /nfs/dbraw/zinc/43/10/83/1072431083.db2.gz GUNWMCYZTPUHLQ-VUTHCHCSSA-N 0 0 540.710 7.289 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409344235 1072433821 /nfs/dbraw/zinc/43/38/21/1072433821.db2.gz IIRQSSOYQWCEJI-FSJBWODESA-N 0 0 516.471 7.295 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409344299 1072434512 /nfs/dbraw/zinc/43/45/12/1072434512.db2.gz IOGWQQKMOOBAED-DICXZTSXSA-N 0 0 566.531 8.530 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1 ZINC000409344311 1072434552 /nfs/dbraw/zinc/43/45/52/1072434552.db2.gz IQJYORHNYBYDFB-YZSQISJMSA-N 0 0 532.687 6.632 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409343953 1072436145 /nfs/dbraw/zinc/43/61/45/1072436145.db2.gz FACIUUPOGRQQLG-VROXFSQNSA-N 0 0 530.542 7.876 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409343481 1072439593 /nfs/dbraw/zinc/43/95/93/1072439593.db2.gz HSVSUPVCDRWQNI-JJFYIABZSA-N 0 0 536.889 7.640 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409343540 1072440172 /nfs/dbraw/zinc/44/01/72/1072440172.db2.gz HFRPUQTXABAWHH-RQZCQDPDSA-N 0 0 531.961 5.715 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409343437 1072441828 /nfs/dbraw/zinc/44/18/28/1072441828.db2.gz HCKHRJFHJQKGHT-BUVRLJJBSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409343025 1072442981 /nfs/dbraw/zinc/44/29/81/1072442981.db2.gz DFEZZHYQGKFMFX-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409343152 1072444869 /nfs/dbraw/zinc/44/48/69/1072444869.db2.gz CPTNYSNHOBILIM-VULFUBBASA-N 0 0 583.131 6.787 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409342917 1072444895 /nfs/dbraw/zinc/44/48/95/1072444895.db2.gz CZTKFGBGEJJYCE-AUEPDCJTSA-N 0 0 706.838 8.644 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342804 1072446529 /nfs/dbraw/zinc/44/65/29/1072446529.db2.gz COEGXCLDGZNJHJ-QRVIBDJDSA-N 0 0 510.568 6.117 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409342578 1072447035 /nfs/dbraw/zinc/44/70/35/1072447035.db2.gz BTRNRRLRHQVWGZ-DHRITJCHSA-N 0 0 629.623 7.220 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Br)c(C)c4)c3C)NC2=S)cc1 ZINC000409126967 1072448126 /nfs/dbraw/zinc/44/81/26/1072448126.db2.gz CBSCMYRNMVYXBW-UCQKPKSFSA-N 0 0 510.457 5.826 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409342528 1072448702 /nfs/dbraw/zinc/44/87/02/1072448702.db2.gz FOFFMGIEGXGGSA-BRJLIKDPSA-N 0 0 553.149 6.671 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000409342294 1072449055 /nfs/dbraw/zinc/44/90/55/1072449055.db2.gz BGUVUAXWPUQJSV-XKZIYDEJSA-N 0 0 546.895 7.096 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409342546 1072449159 /nfs/dbraw/zinc/44/91/59/1072449159.db2.gz DUBCOBWGBBLKPT-MTJSOVHGSA-N 0 0 636.343 7.113 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409342335 1072449754 /nfs/dbraw/zinc/44/97/54/1072449754.db2.gz DHJZDVNEXGUDPR-WSDLNYQXSA-N 0 0 577.440 6.424 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409342241 1072451056 /nfs/dbraw/zinc/45/10/56/1072451056.db2.gz AXQRPSMVHYREMR-CXUHLZMHSA-N 0 0 622.291 5.376 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409342273 1072451499 /nfs/dbraw/zinc/45/14/99/1072451499.db2.gz BBFZAWWXMZTZMN-JAIQZWGSSA-N 0 0 536.940 7.465 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409342032 1072451511 /nfs/dbraw/zinc/45/15/11/1072451511.db2.gz BDZZJZFRSATIBC-MZJWZYIUSA-N 0 0 576.696 6.361 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409341898 1072453160 /nfs/dbraw/zinc/45/31/60/1072453160.db2.gz CTFCWWCXRSJAQF-ZVBGSRNCSA-N 0 0 523.504 5.430 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409341984 1072454389 /nfs/dbraw/zinc/45/43/89/1072454389.db2.gz DEFYCOMVIVLUBX-XKZIYDEJSA-N 0 0 571.474 6.741 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 ZINC000409126025 1072456717 /nfs/dbraw/zinc/45/67/17/1072456717.db2.gz GOPQCLXORVRRPP-CFRMEGHHSA-N 0 0 553.503 6.786 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OCC ZINC000409341692 1072456618 /nfs/dbraw/zinc/45/66/18/1072456618.db2.gz FCLBVHPVECSVMH-JAIQZWGSSA-N 0 0 508.017 5.095 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1Cc1cccnc1 ZINC000409126022 1072456723 /nfs/dbraw/zinc/45/67/23/1072456723.db2.gz NOAWCXUMTYWSBB-MYYYXRDXSA-N 0 0 520.079 6.560 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409125584 1072459592 /nfs/dbraw/zinc/45/95/92/1072459592.db2.gz BGSNYNLSCQWLHG-MYYYXRDXSA-N 0 0 518.595 5.388 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409125314 1072461753 /nfs/dbraw/zinc/46/17/53/1072461753.db2.gz LTLWTEPUPPSEQG-QRVIBDJDSA-N 0 0 558.523 5.688 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000409340595 1072465356 /nfs/dbraw/zinc/46/53/56/1072465356.db2.gz ZWZSOZATCWXASK-LPYMAVHISA-N 0 0 541.448 6.651 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)SC2=S)cc1Cl ZINC000409340399 1072465828 /nfs/dbraw/zinc/46/58/28/1072465828.db2.gz WMOXSCWKYPPISB-SSDVNMTOSA-N 0 0 641.911 7.086 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409340417 1072466412 /nfs/dbraw/zinc/46/64/12/1072466412.db2.gz WVCRPKKDFXHCBG-PKAZHMFMSA-N 0 0 542.638 7.132 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O ZINC000409340428 1072466455 /nfs/dbraw/zinc/46/64/55/1072466455.db2.gz XAMJVZSKQGYCRR-SXGWCWSVSA-N 0 0 623.275 5.709 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409340479 1072466834 /nfs/dbraw/zinc/46/68/34/1072466834.db2.gz XUUWZMSXZOUROC-LZYBPNLTSA-N 0 0 639.343 6.422 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c5ccccc54)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409124213 1072467421 /nfs/dbraw/zinc/46/74/21/1072467421.db2.gz AIILAFBTZJBUGP-QRQIAZFYSA-N 0 0 618.553 6.556 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)SC2=S)cc1 ZINC000409340304 1072467972 /nfs/dbraw/zinc/46/79/72/1072467972.db2.gz UNXRAXUODAVDLE-OEAKJJBVSA-N 0 0 589.476 6.293 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409340385 1072468573 /nfs/dbraw/zinc/46/85/73/1072468573.db2.gz WDGLOLVMOIWQHE-LPYMAVHISA-N 0 0 666.946 6.087 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(c5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409124156 1072469176 /nfs/dbraw/zinc/46/91/76/1072469176.db2.gz JIBPFEGOZRODKL-IMRQLAEWSA-N 0 0 512.656 7.301 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1 ZINC000409340230 1072469665 /nfs/dbraw/zinc/46/96/65/1072469665.db2.gz SNULUGWJGVFVRT-MYYYXRDXSA-N 0 0 505.064 7.148 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339974 1072470166 /nfs/dbraw/zinc/47/01/66/1072470166.db2.gz NUTXIHCCTYFHKF-UCQKPKSFSA-N 0 0 617.518 6.121 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(SC)c4)C3=O)cc2OC)cc1 ZINC000409340035 1072470685 /nfs/dbraw/zinc/47/06/85/1072470685.db2.gz PBKILBOIWPJCLH-MYYYXRDXSA-N 0 0 550.727 6.403 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409123580 1072471378 /nfs/dbraw/zinc/47/13/78/1072471378.db2.gz CXRFMQMEAHVOHA-MYKKPKGFSA-N 0 0 594.427 8.540 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409339880 1072471737 /nfs/dbraw/zinc/47/17/37/1072471737.db2.gz MIYYPGIIOZTRPQ-BHGWPJFGSA-N 0 0 560.480 7.106 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000409339917 1072472304 /nfs/dbraw/zinc/47/23/04/1072472304.db2.gz ZUXWQDJGIQZJGU-HMAPJEAMSA-N 0 0 532.470 7.616 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)ccc1Cl ZINC000409339902 1072472359 /nfs/dbraw/zinc/47/23/59/1072472359.db2.gz ZQDSHPQMFIASQX-UDWIEESQSA-N 0 0 502.038 6.514 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409339775 1072473512 /nfs/dbraw/zinc/47/35/12/1072473512.db2.gz YEMVPIVNWNDGAM-AWQFTUOYSA-N 0 0 707.680 8.297 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409339760 1072473601 /nfs/dbraw/zinc/47/36/01/1072473601.db2.gz XXTVBRKCPUYPCM-XKZIYDEJSA-N 0 0 514.441 6.881 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409339560 1072474082 /nfs/dbraw/zinc/47/40/82/1072474082.db2.gz WEIKGAXYBAFOEG-ODLFYWEKSA-N 0 0 501.992 6.174 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339596 1072474657 /nfs/dbraw/zinc/47/46/57/1072474657.db2.gz WTLNQQWEVIUZRK-LGJNPRDNSA-N 0 0 589.635 8.546 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409339610 1072474687 /nfs/dbraw/zinc/47/46/87/1072474687.db2.gz XAXUFNSWKCVMLD-FBHDLOMBSA-N 0 0 599.330 7.888 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1C ZINC000409339399 1072475288 /nfs/dbraw/zinc/47/52/88/1072475288.db2.gz UZDHKGPVLVCJPU-WSDLNYQXSA-N 0 0 507.549 6.318 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC ZINC000409339441 1072475880 /nfs/dbraw/zinc/47/58/80/1072475880.db2.gz IBAKBNDVXYKHNG-GZTJUZNOSA-N 0 0 543.302 6.415 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409339222 1072476325 /nfs/dbraw/zinc/47/63/25/1072476325.db2.gz SWXLZVSXPGFVDW-MFOYZWKCSA-N 0 0 512.834 5.450 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409339284 1072477146 /nfs/dbraw/zinc/47/71/46/1072477146.db2.gz GVYMMQCVHUCOEP-QFEZKATASA-N 0 0 526.079 7.041 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409136686 1072477476 /nfs/dbraw/zinc/47/74/76/1072477476.db2.gz YKWOUQSOXSCDOH-CIQOZVAXSA-N 0 0 531.472 5.971 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1Cl ZINC000409339339 1072477633 /nfs/dbraw/zinc/47/76/33/1072477633.db2.gz UIGKMMXLPAKXIY-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)S1)c1ccccc1 ZINC000409136506 1072478596 /nfs/dbraw/zinc/47/85/96/1072478596.db2.gz WYUFCSHKVFBMRU-STZFKDTASA-N 0 0 540.382 5.271 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409339114 1072478633 /nfs/dbraw/zinc/47/86/33/1072478633.db2.gz FALJZFBFEOAUAZ-LICLKQGHSA-N 0 0 542.860 5.459 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409339020 1072480290 /nfs/dbraw/zinc/48/02/90/1072480290.db2.gz DHXYPKXOERGRQN-CEUNXORHSA-N 0 0 503.648 7.978 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC ZINC000409339033 1072480310 /nfs/dbraw/zinc/48/03/10/1072480310.db2.gz DMIJPMSCFQFSFB-ZHZULCJRSA-N 0 0 568.502 5.951 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409338830 1072481303 /nfs/dbraw/zinc/48/13/03/1072481303.db2.gz BVCVWUAMXMJWNM-ZMOGYAJESA-N 0 0 507.105 7.471 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409338826 1072481428 /nfs/dbraw/zinc/48/14/28/1072481428.db2.gz BSHCTTYEKQOAPQ-OEAKJJBVSA-N 0 0 573.509 6.648 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409338681 1072482577 /nfs/dbraw/zinc/48/25/77/1072482577.db2.gz OHIBJYMYWLPOGU-OGLMXYFKSA-N 0 0 651.591 8.445 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409135634 1072483861 /nfs/dbraw/zinc/48/38/61/1072483861.db2.gz QRVOKRDOZNJHLB-IMRQLAEWSA-N 0 0 530.650 6.272 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409135428 1072484169 /nfs/dbraw/zinc/48/41/69/1072484169.db2.gz QPPCRUFDWRWYEL-XYGWBWBKSA-N 0 0 553.591 7.796 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409338606 1072484827 /nfs/dbraw/zinc/48/48/27/1072484827.db2.gz MWEPYJBFRHYTFP-FMCGGJTJSA-N 0 0 516.471 7.295 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338487 1072486746 /nfs/dbraw/zinc/48/67/46/1072486746.db2.gz KVZXFBUDHGIRLP-OEAKJJBVSA-N 0 0 571.474 6.741 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409338202 1072486788 /nfs/dbraw/zinc/48/67/88/1072486788.db2.gz FQSRRAYVROYFMG-HYARGMPZSA-N 0 0 632.501 5.434 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338291 1072487761 /nfs/dbraw/zinc/48/77/61/1072487761.db2.gz HKDGRRZLBWSDCF-FBHDLOMBSA-N 0 0 554.518 5.618 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409134133 1072493893 /nfs/dbraw/zinc/49/38/93/1072493893.db2.gz NHCOYHWYBBHOSQ-YTLMXASBSA-N 0 0 562.555 5.073 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)c(C)c1 ZINC000409356204 1072504112 /nfs/dbraw/zinc/50/41/12/1072504112.db2.gz FOTJQXSHNPJCGU-MFKUBSTISA-N 0 0 502.661 6.344 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409132469 1072504706 /nfs/dbraw/zinc/50/47/06/1072504706.db2.gz YBVOXFJLVRCWEO-MYYYXRDXSA-N 0 0 582.520 5.711 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409132258 1072505179 /nfs/dbraw/zinc/50/51/79/1072505179.db2.gz NPOVQPHLJASCKH-NHDPSOOVSA-N 0 0 515.860 7.368 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4F)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409131886 1072507620 /nfs/dbraw/zinc/50/76/20/1072507620.db2.gz PHKAEWSJKOXHFZ-WGARJPEWSA-N 0 0 597.531 7.032 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccc(OC(C)C)cc4)c4ccccc34)SC2=S)cc1 ZINC000409131282 1072511081 /nfs/dbraw/zinc/51/10/81/1072511081.db2.gz NBGVMVBBXRUYMN-MIXAMLLLSA-N 0 0 558.725 6.918 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c5ccccc54)c3C)N(C)C2=S)cc1 ZINC000409130341 1072515148 /nfs/dbraw/zinc/51/51/48/1072515148.db2.gz LLCOVDJWNGYJMV-PKAZHMFMSA-N 0 0 560.517 7.013 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)c(Br)c(C)c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409130052 1072516470 /nfs/dbraw/zinc/51/64/70/1072516470.db2.gz LTDIRWOYOAMVRQ-MYYYXRDXSA-N 0 0 596.547 6.020 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000409129617 1072518815 /nfs/dbraw/zinc/51/88/15/1072518815.db2.gz UYCVWDKSMCLAHV-DIBXZPPDSA-N 0 0 533.118 7.208 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409129472 1072519674 /nfs/dbraw/zinc/51/96/74/1072519674.db2.gz GGTSNBQVXKAIMH-CFRMEGHHSA-N 0 0 569.550 5.490 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)S1)c1ccccc1 ZINC000409129393 1072520927 /nfs/dbraw/zinc/52/09/27/1072520927.db2.gz JLJSZGGGOFKAGW-NDENLUEZSA-N 0 0 745.174 6.638 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409352985 1072524396 /nfs/dbraw/zinc/52/43/96/1072524396.db2.gz ZSLLQJJVGHUGSC-VGOFMYFVSA-N 0 0 656.692 5.104 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409128637 1072524809 /nfs/dbraw/zinc/52/48/09/1072524809.db2.gz STBKSKGRMNALDE-CFRMEGHHSA-N 0 0 543.527 7.373 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409352928 1072525658 /nfs/dbraw/zinc/52/56/58/1072525658.db2.gz ZOYWXQUNYYKYHL-APSNUPSMSA-N 0 0 533.252 5.714 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352656 1072525996 /nfs/dbraw/zinc/52/59/96/1072525996.db2.gz YFMQNSILXPJUPI-FOKLQQMPSA-N 0 0 574.352 8.165 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S)c1ccc(Cl)cc1 ZINC000409352641 1072527924 /nfs/dbraw/zinc/52/79/24/1072527924.db2.gz XONMFAABPRQABU-CJLVFECKSA-N 0 0 511.024 5.344 40 10 KKCBRN Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409128098 1072528340 /nfs/dbraw/zinc/52/83/40/1072528340.db2.gz HLEBRMGMIUILFN-DIBXZPPDSA-N 0 0 504.721 7.200 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409127943 1072528645 /nfs/dbraw/zinc/52/86/45/1072528645.db2.gz KIPWUMCTAOLGPV-VCYKRWNGSA-N 0 0 513.482 5.832 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409352261 1072528992 /nfs/dbraw/zinc/52/89/92/1072528992.db2.gz XLAHPDHNCPHKAP-ZMOGYAJESA-N 0 0 546.497 7.386 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)SC2=S)cc1 ZINC000409352128 1072530040 /nfs/dbraw/zinc/53/00/40/1072530040.db2.gz WIHIBPYWMCPERE-FSJBWODESA-N 0 0 630.498 5.500 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409352197 1072530483 /nfs/dbraw/zinc/53/04/83/1072530483.db2.gz WPFAIGSDPMRHOR-JJFYIABZSA-N 0 0 672.791 7.701 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409351944 1072531000 /nfs/dbraw/zinc/53/10/00/1072531000.db2.gz XUBMGIXLEDLYOD-ZMFRSBBQSA-N 0 0 527.715 6.138 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)Sc3ccccc3N4C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409144646 1072532979 /nfs/dbraw/zinc/53/29/79/1072532979.db2.gz MDGGWBZFPQOFKQ-NNAGEYCMSA-N 0 0 582.751 5.097 40 10 KKCBRN CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC1=S ZINC000409144389 1072534848 /nfs/dbraw/zinc/53/48/48/1072534848.db2.gz NYHOGAZRQVSMEU-LSCVHKIXSA-N 0 0 522.287 6.046 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409144369 1072535032 /nfs/dbraw/zinc/53/50/32/1072535032.db2.gz JWEXEQHNLIJVNX-CFRMEGHHSA-N 0 0 563.060 6.106 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1O[C@H](C)CC ZINC000409144207 1072536159 /nfs/dbraw/zinc/53/61/59/1072536159.db2.gz XPEVRBYYSFRQQY-UXNIICTESA-N 0 0 514.713 5.711 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1Cl ZINC000409351206 1072536678 /nfs/dbraw/zinc/53/66/78/1072536678.db2.gz ZGIPXZDKAYIXAV-YDZHTSKRSA-N 0 0 525.051 6.080 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(Br)cc1 ZINC000409351124 1072538403 /nfs/dbraw/zinc/53/84/03/1072538403.db2.gz ZMPDYUMYDADXRK-MFKUBSTISA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409350795 1072540396 /nfs/dbraw/zinc/54/03/96/1072540396.db2.gz YSBSIHIMYIDJQN-ODLFYWEKSA-N 0 0 643.309 6.854 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409350499 1072542132 /nfs/dbraw/zinc/54/21/32/1072542132.db2.gz YHESVLVSBODCKK-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccncc1 ZINC000409350557 1072542601 /nfs/dbraw/zinc/54/26/01/1072542601.db2.gz YABHGZQNWYCFGG-FYJGNVAPSA-N 0 0 513.438 5.838 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409350555 1072542749 /nfs/dbraw/zinc/54/27/49/1072542749.db2.gz RYMTZJLBQMHBNY-MYKKPKGFSA-N 0 0 506.649 6.477 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409350325 1072543117 /nfs/dbraw/zinc/54/31/17/1072543117.db2.gz XVWAZDSRQKXROM-CFRMEGHHSA-N 0 0 536.053 6.337 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409350385 1072543479 /nfs/dbraw/zinc/54/34/79/1072543479.db2.gz XRRJYCQARXJLRR-WYMPLXKRSA-N 0 0 509.027 6.897 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409350437 1072543952 /nfs/dbraw/zinc/54/39/52/1072543952.db2.gz ROSXOPIDCVPDKD-UKWGHVSLSA-N 0 0 599.381 7.713 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1 ZINC000409350431 1072544066 /nfs/dbraw/zinc/54/40/66/1072544066.db2.gz YHNKNKITXFAPNO-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409142736 1072545440 /nfs/dbraw/zinc/54/54/40/1072545440.db2.gz AWNOXCVFFROVPR-WGARJPEWSA-N 0 0 565.051 6.175 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409142811 1072545804 /nfs/dbraw/zinc/54/58/04/1072545804.db2.gz GCLYRVIEXQSRQJ-BHGWPJFGSA-N 0 0 692.495 7.248 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000409349937 1072546180 /nfs/dbraw/zinc/54/61/80/1072546180.db2.gz WOKLEAIHKJGTFG-OYKKKHCWSA-N 0 0 517.607 5.834 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142141 1072548593 /nfs/dbraw/zinc/54/85/93/1072548593.db2.gz RFRCOIVKAKRLML-RAWMCFOBSA-N 0 0 596.605 7.445 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1 ZINC000409142191 1072549092 /nfs/dbraw/zinc/54/90/92/1072549092.db2.gz CCCMKSZJELVLIN-DHRITJCHSA-N 0 0 534.703 5.723 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409349474 1072549157 /nfs/dbraw/zinc/54/91/57/1072549157.db2.gz PPAXTXQLFSNHPN-KEBDBYFISA-N 0 0 505.404 7.184 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1Cl ZINC000409349390 1072550642 /nfs/dbraw/zinc/55/06/42/1072550642.db2.gz PNVIMAYCETZUPW-SSDVNMTOSA-N 0 0 520.434 7.126 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409349249 1072551459 /nfs/dbraw/zinc/55/14/59/1072551459.db2.gz VEIGAKOCRLGVOT-LGJNPRDNSA-N 0 0 533.715 6.840 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409349265 1072551502 /nfs/dbraw/zinc/55/15/02/1072551502.db2.gz VFKBCTBFSBPMBS-GRSHGNNSSA-N 0 0 507.376 6.576 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409349122 1072552935 /nfs/dbraw/zinc/55/29/35/1072552935.db2.gz UOLGGTMRJPNUBC-BOPFTXTBSA-N 0 0 621.303 6.086 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409348975 1072553825 /nfs/dbraw/zinc/55/38/25/1072553825.db2.gz UHXIIYIOHCTSBO-JJFYIABZSA-N 0 0 629.812 8.793 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409348820 1072554663 /nfs/dbraw/zinc/55/46/63/1072554663.db2.gz SQZNMVZBLDFVMF-SRZZPIQSSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000409348514 1072556430 /nfs/dbraw/zinc/55/64/30/1072556430.db2.gz NZZJWXXVSLXHIQ-XYGWBWBKSA-N 0 0 513.644 5.553 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000409348537 1072556887 /nfs/dbraw/zinc/55/68/87/1072556887.db2.gz OGUUKEAMPJJEOJ-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409348559 1072556919 /nfs/dbraw/zinc/55/69/19/1072556919.db2.gz OQKZMAXTAVGRRQ-PGGKNCGUSA-N 0 0 582.490 6.721 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409348371 1072557746 /nfs/dbraw/zinc/55/77/46/1072557746.db2.gz SJAIUECYRWMZEX-UCQKPKSFSA-N 0 0 648.500 6.592 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1C ZINC000409348384 1072557796 /nfs/dbraw/zinc/55/77/96/1072557796.db2.gz PADASNKGXFWVPY-FMCGGJTJSA-N 0 0 527.042 6.519 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000409348380 1072557867 /nfs/dbraw/zinc/55/78/67/1072557867.db2.gz SGVGJNAEIQDFAR-LFVJCYFKSA-N 0 0 617.530 7.073 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409348395 1072558275 /nfs/dbraw/zinc/55/82/75/1072558275.db2.gz SIXGTQAOTNPNFR-JJFYIABZSA-N 0 0 565.341 8.049 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409348386 1072558294 /nfs/dbraw/zinc/55/82/94/1072558294.db2.gz SHHUFSJJZSMSIA-JAIQZWGSSA-N 0 0 630.210 8.503 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409348173 1072558784 /nfs/dbraw/zinc/55/87/84/1072558784.db2.gz RNUMPLFTRRVJAD-JAIQZWGSSA-N 0 0 689.765 7.534 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409348236 1072559220 /nfs/dbraw/zinc/55/92/20/1072559220.db2.gz RVDPJKXMLAQKPN-CIAFOILYSA-N 0 0 516.522 7.120 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409140229 1072559990 /nfs/dbraw/zinc/55/99/90/1072559990.db2.gz GRPHGZRYKTZRQJ-JOCHJYFZSA-N 0 0 534.447 6.278 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccn4)c(OC)c3)SC2=S)cc1 ZINC000409347563 1072562401 /nfs/dbraw/zinc/56/24/01/1072562401.db2.gz QJGZDVFAWNGWCQ-HYARGMPZSA-N 0 0 557.491 6.236 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347684 1072563256 /nfs/dbraw/zinc/56/32/56/1072563256.db2.gz QPAYINXWKIDJKR-BUVRLJJBSA-N 0 0 603.991 7.552 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409347369 1072564710 /nfs/dbraw/zinc/56/47/10/1072564710.db2.gz PUCZVTBNWOWZTH-QRVIBDJDSA-N 0 0 619.571 7.315 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC ZINC000409347355 1072564822 /nfs/dbraw/zinc/56/48/22/1072564822.db2.gz PSWBKHHWYLHLGL-ZHZULCJRSA-N 0 0 521.502 6.108 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCCOc4ccccc4OC)c4ccccc34)SC2=S)cc1 ZINC000409138993 1072567557 /nfs/dbraw/zinc/56/75/57/1072567557.db2.gz KVOIHPJAEQMGPU-VEILYXNESA-N 0 0 544.698 6.529 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409138749 1072569420 /nfs/dbraw/zinc/56/94/20/1072569420.db2.gz HLSATRCZMTUXNX-BKUYFWCQSA-N 0 0 557.853 6.090 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409138596 1072570278 /nfs/dbraw/zinc/57/02/78/1072570278.db2.gz FELJOKFZXSBYPV-GTBBCORBSA-N 0 0 505.503 5.854 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409146783 1072579967 /nfs/dbraw/zinc/57/99/67/1072579967.db2.gz VCAOBUYCUNSNKU-BHGWPJFGSA-N 0 0 648.044 7.139 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000409364934 1072581164 /nfs/dbraw/zinc/58/11/64/1072581164.db2.gz RMNPEZVLUGMBOE-UHFFFAOYSA-N 0 0 614.427 6.189 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409146492 1072582282 /nfs/dbraw/zinc/58/22/82/1072582282.db2.gz SJKISNYCVFUJIU-MFKUBSTISA-N 0 0 580.131 6.336 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409146048 1072584532 /nfs/dbraw/zinc/58/45/32/1072584532.db2.gz QDXKVNILKBAUQE-KEBDBYFISA-N 0 0 535.529 5.687 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409145781 1072585185 /nfs/dbraw/zinc/58/51/85/1072585185.db2.gz POSOSBMFWDZFMI-BUVRLJJBSA-N 0 0 539.078 6.172 40 10 KKCBRN Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409145755 1072586136 /nfs/dbraw/zinc/58/61/36/1072586136.db2.gz RRUIEFNCZUPAPO-KQWNVCNZSA-N 0 0 501.612 5.255 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409145722 1072586140 /nfs/dbraw/zinc/58/61/40/1072586140.db2.gz QUPUGNNSOJKPDW-MYYYXRDXSA-N 0 0 573.553 7.403 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409147348 1072591054 /nfs/dbraw/zinc/59/10/54/1072591054.db2.gz WSNUIYIJJWLFOM-YDZHTSKRSA-N 0 0 559.496 6.436 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)N2 ZINC000409156708 1072594277 /nfs/dbraw/zinc/59/42/77/1072594277.db2.gz OYABXWPYGATENA-LEHBWIKQSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409155914 1072597495 /nfs/dbraw/zinc/59/74/95/1072597495.db2.gz RVHQAPXBLOCYLW-YPCDYVTLSA-N 0 0 569.883 8.042 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409154026 1072608739 /nfs/dbraw/zinc/60/87/39/1072608739.db2.gz JQFLCIJDANHWJL-ATLLOTDBSA-N 0 0 565.722 8.823 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409153572 1072610866 /nfs/dbraw/zinc/61/08/66/1072610866.db2.gz IJXWAJBNKGXEJG-DXMSMQRWSA-N 0 0 600.167 9.477 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152935 1072614189 /nfs/dbraw/zinc/61/41/89/1072614189.db2.gz KKHUDBKTDDEERL-UAVUOLJFSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409153048 1072615329 /nfs/dbraw/zinc/61/53/29/1072615329.db2.gz KNUFDWDYVRYXRG-YWTKSJFSSA-N 0 0 633.719 9.842 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409152893 1072615912 /nfs/dbraw/zinc/61/59/12/1072615912.db2.gz KFIZDNFVAOWSDW-FUMQJTLXSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409152082 1072620386 /nfs/dbraw/zinc/62/03/86/1072620386.db2.gz IWEDOGUMXBMJHJ-QOMXPILVSA-N 0 0 607.375 9.837 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151918 1072620874 /nfs/dbraw/zinc/62/08/74/1072620874.db2.gz IPMXIAOMIPVLFT-ANSQWYIGSA-N 0 0 590.301 8.387 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152016 1072621407 /nfs/dbraw/zinc/62/14/07/1072621407.db2.gz IPMXIAOMIPVLFT-UDCNLSRBSA-N 0 0 590.301 8.387 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151324 1072623414 /nfs/dbraw/zinc/62/34/14/1072623414.db2.gz AQJHVIPERDVMLU-GLDPYIMESA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151061 1072625531 /nfs/dbraw/zinc/62/55/31/1072625531.db2.gz GIUSWTSELBSLJC-IECBHUPTSA-N 0 0 593.718 8.418 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)SC1=S ZINC000409375813 1072631161 /nfs/dbraw/zinc/63/11/61/1072631161.db2.gz PMHSBFTXEOKZID-SXGWCWSVSA-N 0 0 625.266 5.835 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000409375628 1072631622 /nfs/dbraw/zinc/63/16/22/1072631622.db2.gz NFOGBUQQWUJBRQ-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149716 1072633010 /nfs/dbraw/zinc/63/30/10/1072633010.db2.gz OMPCFQKMLHPBQU-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000409149628 1072634576 /nfs/dbraw/zinc/63/45/76/1072634576.db2.gz LPOXCYFPKQXIIC-WGOQTCKBSA-N 0 0 566.148 6.620 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409149469 1072635604 /nfs/dbraw/zinc/63/56/04/1072635604.db2.gz HCNUCFAUHJCZTO-QFEZKATASA-N 0 0 520.720 6.468 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1O ZINC000409149365 1072637198 /nfs/dbraw/zinc/63/71/98/1072637198.db2.gz CYCNYEOXPNEFGU-QGMBQPNBSA-N 0 0 537.501 5.002 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409149391 1072637215 /nfs/dbraw/zinc/63/72/15/1072637215.db2.gz DZGCLFLISGQRHE-SRZZPIQSSA-N 0 0 601.018 5.812 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Cl ZINC000409149273 1072638331 /nfs/dbraw/zinc/63/83/31/1072638331.db2.gz AEFJYKGCVRYMTI-UWVJOHFNSA-N 0 0 569.532 5.384 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409148925 1072639937 /nfs/dbraw/zinc/63/99/37/1072639937.db2.gz UNRPXFDMRKHZLF-XHPQRKPJSA-N 0 0 503.693 5.375 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409374083 1072640609 /nfs/dbraw/zinc/64/06/09/1072640609.db2.gz XEURCLQKQCFCQW-LSHDLFTRSA-N 0 0 605.481 6.427 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409373814 1072641065 /nfs/dbraw/zinc/64/10/65/1072641065.db2.gz UWEATVDHKWCGIY-SRZZPIQSSA-N 0 0 686.380 7.124 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409148557 1072641077 /nfs/dbraw/zinc/64/10/77/1072641077.db2.gz QMRXVTGOCDSELA-CFRMEGHHSA-N 0 0 550.503 6.279 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409148399 1072642241 /nfs/dbraw/zinc/64/22/41/1072642241.db2.gz PPCPWCBKOONSSS-YSMPRRRNSA-N 0 0 563.542 7.505 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409372893 1072643954 /nfs/dbraw/zinc/64/39/54/1072643954.db2.gz PQBXSCPSEKCXSG-ROTLSHHCSA-N 0 0 654.557 6.562 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409148027 1072644912 /nfs/dbraw/zinc/64/49/12/1072644912.db2.gz WXTIAUKJVORNGP-AQHIEDMUSA-N 0 0 572.912 7.041 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409372641 1072645006 /nfs/dbraw/zinc/64/50/06/1072645006.db2.gz OFHHFNUBBDRKIO-MSXFZWOLSA-N 0 0 567.523 7.243 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S ZINC000409372550 1072645043 /nfs/dbraw/zinc/64/50/43/1072645043.db2.gz MKDMEAPFGPNDDA-NSIKDUERSA-N 0 0 548.227 5.602 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409372501 1072646050 /nfs/dbraw/zinc/64/60/50/1072646050.db2.gz DUAXAEVMHRZKPT-OGLMXYFKSA-N 0 0 557.716 6.712 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409147710 1072646946 /nfs/dbraw/zinc/64/69/46/1072646946.db2.gz ZXUBDYBWQYSPMD-OGLMXYFKSA-N 0 0 589.138 7.326 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S ZINC000409371880 1072648231 /nfs/dbraw/zinc/64/82/31/1072648231.db2.gz LUHBIJHLKPVQER-QFEZKATASA-N 0 0 580.518 7.664 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409147434 1072649531 /nfs/dbraw/zinc/64/95/31/1072649531.db2.gz XVCFNFLQXRCICS-BRJLIKDPSA-N 0 0 569.148 6.376 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409370774 1072651769 /nfs/dbraw/zinc/65/17/69/1072651769.db2.gz BCZPKGWNSXETFF-WSDLNYQXSA-N 0 0 653.407 7.672 40 10 KKCBRN COc1ccccc1NC(=O)COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409370778 1072651843 /nfs/dbraw/zinc/65/18/43/1072651843.db2.gz UETWAVHVURQSJI-UHFFFAOYSA-N 0 0 656.489 6.067 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165705 1072653693 /nfs/dbraw/zinc/65/36/93/1072653693.db2.gz AYXKMXFEMIVSNP-YTZAWJCFSA-N 0 0 576.274 8.078 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409369981 1072656376 /nfs/dbraw/zinc/65/63/76/1072656376.db2.gz ISONCGANQIFUOY-UUYOSTAYSA-N 0 0 608.956 7.562 40 10 KKCBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 ZINC000409164987 1072656859 /nfs/dbraw/zinc/65/68/59/1072656859.db2.gz QQSDAMNGQCXBGH-WSDLNYQXSA-N 0 0 512.056 6.144 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409368985 1072661944 /nfs/dbraw/zinc/66/19/44/1072661944.db2.gz WFDHQSPRXAPDCA-LHHJGKSTSA-N 0 0 706.152 6.149 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368512 1072664843 /nfs/dbraw/zinc/66/48/43/1072664843.db2.gz ZXODPQJBXPDFOZ-LZYBPNLTSA-N 0 0 577.309 6.101 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409163009 1072665998 /nfs/dbraw/zinc/66/59/98/1072665998.db2.gz KQMMISZZNXJTEQ-WPWMEQJKSA-N 0 0 529.662 6.095 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368030 1072666686 /nfs/dbraw/zinc/66/66/86/1072666686.db2.gz LPKVCMRGNRXGRL-LZYBPNLTSA-N 0 0 624.309 5.943 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409162987 1072667450 /nfs/dbraw/zinc/66/74/50/1072667450.db2.gz KIIZFDMKGYPYDU-RYUVBPIJSA-N 0 0 606.300 8.087 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409367893 1072667653 /nfs/dbraw/zinc/66/76/53/1072667653.db2.gz NKTNWYUXLUMGSP-GIDUJCDVSA-N 0 0 720.179 6.539 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409162638 1072669046 /nfs/dbraw/zinc/66/90/46/1072669046.db2.gz YCMQSSDIIDCWCC-YSURURNPSA-N 0 0 603.593 7.030 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)SC1=S ZINC000409379270 1072671141 /nfs/dbraw/zinc/67/11/41/1072671141.db2.gz WKKHQCZDFVKHME-YVLHZVERSA-N 0 0 590.302 5.862 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC ZINC000409367536 1072671147 /nfs/dbraw/zinc/67/11/47/1072671147.db2.gz DNXUVUSPWXRLJC-RQZCQDPDSA-N 0 0 546.885 6.382 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409378660 1072674082 /nfs/dbraw/zinc/67/40/82/1072674082.db2.gz REILTTKOQPLLOD-UHFFFAOYSA-N 0 0 626.065 6.348 40 10 KKCBRN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409378685 1072674118 /nfs/dbraw/zinc/67/41/18/1072674118.db2.gz RNYSAEURTIPTKI-GOSISDBHSA-N 0 0 521.038 6.274 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409161781 1072675222 /nfs/dbraw/zinc/67/52/22/1072675222.db2.gz PQIFBPUNPDRRGY-LSHDLFTRSA-N 0 0 566.661 5.240 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409161581 1072676185 /nfs/dbraw/zinc/67/61/85/1072676185.db2.gz WCKQWFSZFVOIQK-GGUMNFRJSA-N 0 0 599.274 9.189 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1 ZINC000409161651 1072676717 /nfs/dbraw/zinc/67/67/17/1072676717.db2.gz OGJPFFLLQUQYRW-NHDPSOOVSA-N 0 0 510.706 6.188 40 10 KKCBRN COc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409377801 1072678525 /nfs/dbraw/zinc/67/85/25/1072678525.db2.gz JZBCTPFIAJAMBV-UHFFFAOYSA-N 0 0 612.038 5.958 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)o1 ZINC000409160754 1072681431 /nfs/dbraw/zinc/68/14/31/1072681431.db2.gz IXWFNXBRKQAFTG-RGVLZGJSSA-N 0 0 529.983 5.371 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409160527 1072681961 /nfs/dbraw/zinc/68/19/61/1072681961.db2.gz QYLXSOHDNVOUEY-SEXOINJZSA-N 0 0 603.340 8.265 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)SC2=S)c(Cl)c1 ZINC000409160279 1072684034 /nfs/dbraw/zinc/68/40/34/1072684034.db2.gz FUFYLHQWEDZQFQ-WGOQTCKBSA-N 0 0 545.085 6.927 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160213 1072685052 /nfs/dbraw/zinc/68/50/52/1072685052.db2.gz WIBMZCBUQABUAS-RHGYRFJNSA-N 0 0 575.728 8.279 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409158882 1072692530 /nfs/dbraw/zinc/69/25/30/1072692530.db2.gz LXZRJYXEWSUYAB-GLDPYIMESA-N 0 0 541.829 7.425 40 10 KKCBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)c1 ZINC000409157535 1072698736 /nfs/dbraw/zinc/69/87/36/1072698736.db2.gz VENNMDYRUKVGSZ-JJFYIABZSA-N 0 0 545.608 6.510 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409157570 1072698756 /nfs/dbraw/zinc/69/87/56/1072698756.db2.gz MXCGAPCVBNOTPE-KYTVRQNUSA-N 0 0 590.301 8.387 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409167238 1072699703 /nfs/dbraw/zinc/69/97/03/1072699703.db2.gz HNJZBRBELFQIMK-WPWMEQJKSA-N 0 0 529.662 6.095 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166893 1072701993 /nfs/dbraw/zinc/70/19/93/1072701993.db2.gz GBTFXWYRSYAPBH-LNFMTQTQSA-N 0 0 538.485 8.530 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409382866 1072705452 /nfs/dbraw/zinc/70/54/52/1072705452.db2.gz WSCLFQVDKHBBBP-PKAZHMFMSA-N 0 0 547.652 5.861 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409382834 1072705561 /nfs/dbraw/zinc/70/55/61/1072705561.db2.gz RSCJHULUJKOINO-MNBJERMJSA-N 0 0 612.151 6.948 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409381189 1072713065 /nfs/dbraw/zinc/71/30/65/1072713065.db2.gz KQBZFQJDJQCVCG-UHFFFAOYSA-N 0 0 591.620 5.695 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409379937 1072721329 /nfs/dbraw/zinc/72/13/29/1072721329.db2.gz CQLRMDSFCJVNGS-HMAPJEAMSA-N 0 0 528.493 6.801 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409379409 1072722738 /nfs/dbraw/zinc/72/27/38/1072722738.db2.gz XATNMHYDGXTECA-YUMHPJSZSA-N 0 0 513.663 5.839 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409173440 1072727626 /nfs/dbraw/zinc/72/76/26/1072727626.db2.gz NFCNQMWADHZNME-LZYBPNLTSA-N 0 0 502.814 6.055 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409172162 1072735708 /nfs/dbraw/zinc/73/57/08/1072735708.db2.gz IVNOPQMUNMBNOC-WZOHSFFVSA-N 0 0 571.855 7.433 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409171681 1072738528 /nfs/dbraw/zinc/73/85/28/1072738528.db2.gz DYFRMTNYGLBBIW-JVWAILMASA-N 0 0 576.878 7.186 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409387858 1072740286 /nfs/dbraw/zinc/74/02/86/1072740286.db2.gz SJCIFZYXIBLZEK-UHFFFAOYSA-N 0 0 626.463 6.059 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409169656 1072749223 /nfs/dbraw/zinc/74/92/23/1072749223.db2.gz QTKZWKZYSBCVEL-JFLMPSFJSA-N 0 0 617.684 5.442 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5cccc(C)c5)cc4)c3C)C2=O)o1 ZINC000409398289 1072752903 /nfs/dbraw/zinc/75/29/03/1072752903.db2.gz COSXVMQPBQCIAH-YUMHPJSZSA-N 0 0 539.588 5.454 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409167739 1072758950 /nfs/dbraw/zinc/75/89/50/1072758950.db2.gz JWFQSVCXQZWRGZ-IMWIBFENSA-N 0 0 541.829 7.425 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186252 1072762630 /nfs/dbraw/zinc/76/26/30/1072762630.db2.gz ZMAXXJOMSIRFRY-WMGYHRCKSA-N 0 0 902.605 8.755 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC(C)=O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186072 1072763209 /nfs/dbraw/zinc/76/32/09/1072763209.db2.gz WETAQYJCSALBIY-HKSWJDOOSA-N 0 0 635.742 6.014 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186081 1072763316 /nfs/dbraw/zinc/76/33/16/1072763316.db2.gz WHRXDSUJDLYKRG-SCRXMSBISA-N 0 0 805.691 6.635 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186105 1072763616 /nfs/dbraw/zinc/76/36/16/1072763616.db2.gz WPZKEJXUTYACME-FSPSSUGOSA-N 0 0 701.820 7.807 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186144 1072764157 /nfs/dbraw/zinc/76/41/57/1072764157.db2.gz XNDZLBWCFBHNLU-QUGDOHQQSA-N 0 0 767.145 9.075 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186193 1072764540 /nfs/dbraw/zinc/76/45/40/1072764540.db2.gz YMPNRZCECVFXSI-QBMFFJCHSA-N 0 0 791.664 6.245 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185975 1072765527 /nfs/dbraw/zinc/76/55/27/1072765527.db2.gz UDAKBFXDBBPFMX-RJGCVNEISA-N 0 0 892.643 9.969 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185994 1072765828 /nfs/dbraw/zinc/76/58/28/1072765828.db2.gz UPQYVFSUUFJIDC-FRHTZWARSA-N 0 0 873.813 9.815 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186007 1072765913 /nfs/dbraw/zinc/76/59/13/1072765913.db2.gz UYLKTMXQIXBNPM-ZPMFZLNBSA-N 0 0 747.917 9.211 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186055 1072766357 /nfs/dbraw/zinc/76/63/57/1072766357.db2.gz VZBYZXKKTJAEGV-UAUQAJIESA-N 0 0 667.791 8.201 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409186033 1072766368 /nfs/dbraw/zinc/76/63/68/1072766368.db2.gz VPMZMSYEHDHEKY-MIXAMLLLSA-N 0 0 586.666 5.445 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2F)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185807 1072766783 /nfs/dbraw/zinc/76/67/83/1072766783.db2.gz QIXFCYPTZHBPBH-DPJPYKTPSA-N 0 0 565.670 6.219 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185778 1072766835 /nfs/dbraw/zinc/76/68/35/1072766835.db2.gz PZXMQJPTDONMFX-GOMLGGMMSA-N 0 0 769.765 9.154 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185786 1072766904 /nfs/dbraw/zinc/76/69/04/1072766904.db2.gz QCCFEAXNWDGNDD-CPCLYONDSA-N 0 0 787.165 9.628 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(O)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185888 1072767579 /nfs/dbraw/zinc/76/75/79/1072767579.db2.gz RZLDOGCQJJOUBU-CZUMTRSGSA-N 0 0 733.628 6.789 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185889 1072767631 /nfs/dbraw/zinc/76/76/31/1072767631.db2.gz SABMASZABIDJMC-OURMJXGFSA-N 0 0 689.575 6.390 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185873 1072767651 /nfs/dbraw/zinc/76/76/51/1072767651.db2.gz RUBYRWLMRYXKFZ-KGZYNADJSA-N 0 0 704.632 6.938 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185864 1072767671 /nfs/dbraw/zinc/76/76/71/1072767671.db2.gz RQWVTVZFWNOEBI-KRJBTMGSSA-N 0 0 801.590 9.728 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2Br)c1 ZINC000409404108 1072768279 /nfs/dbraw/zinc/76/82/79/1072768279.db2.gz CBDUQFHBPKYBKK-NDENLUEZSA-N 0 0 528.200 5.252 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185719 1072768839 /nfs/dbraw/zinc/76/88/39/1072768839.db2.gz PBASCWHIMNEKEC-HGTXDYBSSA-N 0 0 780.716 8.569 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185698 1072768866 /nfs/dbraw/zinc/76/88/66/1072768866.db2.gz OUCUXBGFCMGBJZ-ZCXZDSKVSA-N 0 0 825.829 9.829 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185706 1072768871 /nfs/dbraw/zinc/76/88/71/1072768871.db2.gz OWXUTJBMJUDXJI-WYJRRNNFSA-N 0 0 649.769 6.022 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185724 1072769243 /nfs/dbraw/zinc/76/92/43/1072769243.db2.gz PBKQAUPHXQATDY-DGWBYFALSA-N 0 0 858.198 9.316 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185760 1072769339 /nfs/dbraw/zinc/76/93/39/1072769339.db2.gz PQIZWNVCCHMHJW-UMOBOPHESA-N 0 0 745.945 9.562 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185344 1072770798 /nfs/dbraw/zinc/77/07/98/1072770798.db2.gz KTBHUVOQWUOIPY-WWXXKSMJSA-N 0 0 817.205 10.228 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185412 1072771145 /nfs/dbraw/zinc/77/11/45/1072771145.db2.gz LEZDEVVIBHMKQY-JWEWMGFHSA-N 0 0 592.677 5.988 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185428 1072771180 /nfs/dbraw/zinc/77/11/80/1072771180.db2.gz LJYCEJWOEXIHFR-FRHTZWARSA-N 0 0 782.362 9.864 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185197 1072771588 /nfs/dbraw/zinc/77/15/88/1072771588.db2.gz KFZPXYDVEXSIPL-BSPUBTSWSA-N 0 0 763.110 7.438 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185222 1072771621 /nfs/dbraw/zinc/77/16/21/1072771621.db2.gz KIGLPKYQDAMSEY-ARRMCLJVSA-N 0 0 634.802 6.632 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409184929 1072773473 /nfs/dbraw/zinc/77/34/73/1072773473.db2.gz IOJNOWLYMLWGAZ-XKZIYDEJSA-N 0 0 580.968 5.308 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184830 1072774445 /nfs/dbraw/zinc/77/44/45/1072774445.db2.gz ICFDITFIKQDRSP-HFPLEBHGSA-N 0 0 682.629 8.647 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184317 1072777093 /nfs/dbraw/zinc/77/70/93/1072777093.db2.gz WBTNIYVLPFIKSM-DMUVAUIASA-N 0 0 777.697 8.330 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184371 1072777731 /nfs/dbraw/zinc/77/77/31/1072777731.db2.gz GIBRZZMDTTUGAP-NFNSUFNYSA-N 0 0 699.833 7.704 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184211 1072778051 /nfs/dbraw/zinc/77/80/51/1072778051.db2.gz FQLJQESJFNCIFM-RQBSVBTHSA-N 0 0 876.586 9.165 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183776 1072780767 /nfs/dbraw/zinc/78/07/67/1072780767.db2.gz DIGAFCNSLVHZKO-KRJBTMGSSA-N 0 0 740.684 9.105 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183630 1072781801 /nfs/dbraw/zinc/78/18/01/1072781801.db2.gz CRKKSFGXMSECQO-WUZIEQONSA-N 0 0 772.718 7.183 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183176 1072784356 /nfs/dbraw/zinc/78/43/56/1072784356.db2.gz ASILAFBKKXEHSP-IOSUBWPCSA-N 0 0 825.623 9.492 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183076 1072786215 /nfs/dbraw/zinc/78/62/15/1072786215.db2.gz ACXQAEVJHPSEBA-HYKNTFFQSA-N 0 0 706.662 8.411 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183095 1072786707 /nfs/dbraw/zinc/78/67/07/1072786707.db2.gz PTSIXCDKFGYVCN-JZGFOJACSA-N 0 0 746.329 9.019 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182840 1072788051 /nfs/dbraw/zinc/78/80/51/1072788051.db2.gz ONLMQCLTTMMBGV-ZGMIACJESA-N 0 0 782.362 9.864 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409182493 1072789697 /nfs/dbraw/zinc/78/96/97/1072789697.db2.gz LWCYQDWKEAUUAY-OEAKJJBVSA-N 0 0 559.496 6.517 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182528 1072790149 /nfs/dbraw/zinc/79/01/49/1072790149.db2.gz MDGYFBXMQNNORT-NZKIHYCISA-N 0 0 656.602 6.851 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182159 1072791874 /nfs/dbraw/zinc/79/18/74/1072791874.db2.gz IMWGNLXOHQUDFO-QICITKFESA-N 0 0 735.498 7.613 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182151 1072792109 /nfs/dbraw/zinc/79/21/09/1072792109.db2.gz IJXLIIQINRDXHC-SCRXMSBISA-N 0 0 714.240 6.684 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409181917 1072794257 /nfs/dbraw/zinc/79/42/57/1072794257.db2.gz GRARIRUHUXGTQC-ZBKNUEDVSA-N 0 0 511.858 7.599 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181725 1072795164 /nfs/dbraw/zinc/79/51/64/1072795164.db2.gz CWJSOZPLMOBZSV-BSPUBTSWSA-N 0 0 807.561 7.547 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181805 1072795461 /nfs/dbraw/zinc/79/54/61/1072795461.db2.gz FJCYGTBYJFLCFL-KGZYNADJSA-N 0 0 887.534 6.841 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(O)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181515 1072797960 /nfs/dbraw/zinc/79/79/60/1072797960.db2.gz CIPAMFZDJAFHMM-CZUMTRSGSA-N 0 0 642.177 6.838 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180503 1072804476 /nfs/dbraw/zinc/80/44/76/1072804476.db2.gz YRRHRBXFBAVVHK-AFUMVMLFSA-N 0 0 506.023 7.617 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409180183 1072806404 /nfs/dbraw/zinc/80/64/04/1072806404.db2.gz PVDDVARFUVKCRE-QFEZKATASA-N 0 0 506.023 7.617 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1Br ZINC000409408582 1072814328 /nfs/dbraw/zinc/81/43/28/1072814328.db2.gz RLEMEJBPZWCGQE-GRSHGNNSSA-N 0 0 651.149 6.413 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409178671 1072815163 /nfs/dbraw/zinc/81/51/63/1072815163.db2.gz MPIBLGSZSWKJPH-FSJBWODESA-N 0 0 534.461 7.516 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 ZINC000409177544 1072822417 /nfs/dbraw/zinc/82/24/17/1072822417.db2.gz GWHLEYCNYQWCCQ-HYARGMPZSA-N 0 0 516.015 7.102 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)c1C ZINC000409187357 1072823657 /nfs/dbraw/zinc/82/36/57/1072823657.db2.gz PJCXFTBUFNCQTF-CIAFOILYSA-N 0 0 600.332 6.239 40 10 KKCBRN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000409187333 1072823706 /nfs/dbraw/zinc/82/37/06/1072823706.db2.gz OZWHITMLPMOBOR-MZJWZYIUSA-N 0 0 542.632 5.151 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409193226 1072824198 /nfs/dbraw/zinc/82/41/98/1072824198.db2.gz FUNRNQGWDIHNOX-BHGWPJFGSA-N 0 0 565.519 6.654 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000409187382 1072824266 /nfs/dbraw/zinc/82/42/66/1072824266.db2.gz PTJIAICFDJIYSR-COEJQBHMSA-N 0 0 549.696 6.858 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccncc1 ZINC000409196748 1072828963 /nfs/dbraw/zinc/82/89/63/1072828963.db2.gz XBTUGQUENJVFNU-CIAFOILYSA-N 0 0 513.438 5.838 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409196832 1072829718 /nfs/dbraw/zinc/82/97/18/1072829718.db2.gz YDCIWOPGGPCSBN-LPYMAVHISA-N 0 0 607.922 7.246 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)c2C)cc1 ZINC000409196630 1072830359 /nfs/dbraw/zinc/83/03/59/1072830359.db2.gz XBCBKFMLBUIKFL-JAIQZWGSSA-N 0 0 515.513 5.195 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409196306 1072831618 /nfs/dbraw/zinc/83/16/18/1072831618.db2.gz VRZDHEXRJRHEEO-OEAKJJBVSA-N 0 0 587.504 6.589 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409195541 1072837198 /nfs/dbraw/zinc/83/71/98/1072837198.db2.gz WHAXORFJNUFOCV-KEBDBYFISA-N 0 0 522.251 7.404 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(OCc2ccccc2)c1 ZINC000409194748 1072841216 /nfs/dbraw/zinc/84/12/16/1072841216.db2.gz LVVIEINBSJUBLH-LQKURTRISA-N 0 0 573.671 5.558 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409194416 1072843280 /nfs/dbraw/zinc/84/32/80/1072843280.db2.gz LDIWZYLYUWWALO-JFLMPSFJSA-N 0 0 521.623 7.157 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409207109 1072886902 /nfs/dbraw/zinc/88/69/02/1072886902.db2.gz PGLPEYCYFKYQSX-UFFVCSGVSA-N 0 0 532.609 6.414 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409206509 1072890360 /nfs/dbraw/zinc/89/03/60/1072890360.db2.gz PDOYNGJKENSTAC-ODLFYWEKSA-N 0 0 544.408 5.959 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409206747 1072890490 /nfs/dbraw/zinc/89/04/90/1072890490.db2.gz WYZLOZVGLXLUEF-UFFVCSGVSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409205947 1072894343 /nfs/dbraw/zinc/89/43/43/1072894343.db2.gz RSQQPMLBRNJLAE-RGVLZGJSSA-N 0 0 592.334 6.600 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206016 1072894886 /nfs/dbraw/zinc/89/48/86/1072894886.db2.gz UQAHGDXZAYJXGO-KEBDBYFISA-N 0 0 548.429 6.893 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409206063 1072895098 /nfs/dbraw/zinc/89/50/98/1072895098.db2.gz HFCHBLUNYPETKD-YBFXNURJSA-N 0 0 517.382 6.032 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409205709 1072896616 /nfs/dbraw/zinc/89/66/16/1072896616.db2.gz SMXKWVYICZZIBA-FYJGNVAPSA-N 0 0 576.481 5.835 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409205554 1072897454 /nfs/dbraw/zinc/89/74/54/1072897454.db2.gz PIFISPWONQBOQS-JVWAILMASA-N 0 0 521.623 7.157 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204473 1072904197 /nfs/dbraw/zinc/90/41/97/1072904197.db2.gz HXHGJYUWOMIQSJ-HYARGMPZSA-N 0 0 579.525 6.721 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409204526 1072904225 /nfs/dbraw/zinc/90/42/25/1072904225.db2.gz ICRYDMOPFUHHDM-FBHDLOMBSA-N 0 0 523.548 5.315 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409202432 1072913034 /nfs/dbraw/zinc/91/30/34/1072913034.db2.gz SDMCZYYBQFTXKE-OVCLIPMQSA-N 0 0 610.280 5.250 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409201388 1072918735 /nfs/dbraw/zinc/91/87/35/1072918735.db2.gz MOXAXDNXBSHZMV-KEBDBYFISA-N 0 0 501.345 5.071 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409201185 1072919134 /nfs/dbraw/zinc/91/91/34/1072919134.db2.gz ODZAVFKIWLGMCY-WSDLNYQXSA-N 0 0 503.020 6.022 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409201097 1072920070 /nfs/dbraw/zinc/92/00/70/1072920070.db2.gz VCMYWKZOQNLGQX-WSDLNYQXSA-N 0 0 557.480 6.503 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409200546 1072921414 /nfs/dbraw/zinc/92/14/14/1072921414.db2.gz MKEXPWSYDPGWIJ-QRVIBDJDSA-N 0 0 544.467 6.972 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409200442 1072922352 /nfs/dbraw/zinc/92/23/52/1072922352.db2.gz LKDVBOYXQLOYDL-BKUYFWCQSA-N 0 0 509.565 5.595 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409200293 1072922796 /nfs/dbraw/zinc/92/27/96/1072922796.db2.gz KOKYORQAYATPQH-UCQKPKSFSA-N 0 0 587.504 6.901 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409198707 1072928438 /nfs/dbraw/zinc/92/84/38/1072928438.db2.gz DDWAVNKGXFTORJ-PCLIKHOPSA-N 0 0 551.068 5.259 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409198616 1072930120 /nfs/dbraw/zinc/93/01/20/1072930120.db2.gz IRCHXHHWYVOPEW-WOJGMQOQSA-N 0 0 510.356 7.134 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198223 1072930956 /nfs/dbraw/zinc/93/09/56/1072930956.db2.gz ADCDGNYVEORYJL-OPEKNORGSA-N 0 0 579.700 5.631 40 10 KKCBRN O=C1C(=Cc2ccc(Br)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409197962 1072932875 /nfs/dbraw/zinc/93/28/75/1072932875.db2.gz SSHPWGPKXZRQGB-UHFFFAOYSA-N 0 0 508.353 5.106 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409197724 1072934689 /nfs/dbraw/zinc/93/46/89/1072934689.db2.gz NGHNWYSXHPVRNQ-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409207554 1072941891 /nfs/dbraw/zinc/94/18/91/1072941891.db2.gz WRELMZNLXIREOS-RGVLZGJSSA-N 0 0 672.351 6.431 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)SC1=S ZINC000409226995 1072971595 /nfs/dbraw/zinc/97/15/95/1072971595.db2.gz OETKFQQADNFIQR-BKUYFWCQSA-N 0 0 565.511 5.021 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227237 1072971668 /nfs/dbraw/zinc/97/16/68/1072971668.db2.gz YHMZRQDSJPHKBF-UHFFFAOYSA-N 0 0 721.935 6.944 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1 ZINC000409227068 1072972084 /nfs/dbraw/zinc/97/20/84/1072972084.db2.gz ONFXZOCDOGOPBC-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409225427 1072978229 /nfs/dbraw/zinc/97/82/29/1072978229.db2.gz QQHJSEYRNWVGNH-UHFFFAOYSA-N 0 0 687.490 6.209 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409225307 1072979827 /nfs/dbraw/zinc/97/98/27/1072979827.db2.gz KLXPSXGANQHRBD-MFOYZWKCSA-N 0 0 586.327 5.377 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2OCC)cc1 ZINC000409224668 1072982260 /nfs/dbraw/zinc/98/22/60/1072982260.db2.gz IPOQTJJJIKSUKN-UHSZJLINSA-N 0 0 562.713 6.464 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409224554 1072983359 /nfs/dbraw/zinc/98/33/59/1072983359.db2.gz IGVZXSYHBJXBHT-BRPDVVIDSA-N 0 0 566.704 7.465 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409224572 1072983364 /nfs/dbraw/zinc/98/33/64/1072983364.db2.gz IIFNVHJSEQQJFY-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409224403 1072983895 /nfs/dbraw/zinc/98/38/95/1072983895.db2.gz HLXMNTCZVVJTDW-MTJSOVHGSA-N 0 0 563.539 6.092 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224130 1072985309 /nfs/dbraw/zinc/98/53/09/1072985309.db2.gz KSPLGJGABWDBNP-UHFFFAOYSA-N 0 0 660.908 6.712 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409221985 1072995012 /nfs/dbraw/zinc/99/50/12/1072995012.db2.gz AKZAIRXJPCGSRJ-ZDLGFXPLSA-N 0 0 555.903 5.740 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409220919 1073002438 /nfs/dbraw/zinc/00/24/38/1073002438.db2.gz HSZFPZUUQQNWOW-ZDLGFXPLSA-N 0 0 582.485 5.121 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409220658 1073004465 /nfs/dbraw/zinc/00/44/65/1073004465.db2.gz CXCCKHGRIRLPQL-BRPDVVIDSA-N 0 0 582.703 7.301 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409220062 1073006943 /nfs/dbraw/zinc/00/69/43/1073006943.db2.gz TZCWZTPPZZNUIY-UVHMKAGCSA-N 0 0 648.406 8.100 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409219862 1073006953 /nfs/dbraw/zinc/00/69/53/1073006953.db2.gz QZKQPHDGUNDEQM-UHFFFAOYSA-N 0 0 630.882 6.703 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409217517 1073015205 /nfs/dbraw/zinc/01/52/05/1073015205.db2.gz CRJIKFVSDMOGFJ-UHFFFAOYSA-N 0 0 600.458 6.903 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409230037 1073016349 /nfs/dbraw/zinc/01/63/49/1073016349.db2.gz AXGNPMBEORBWNS-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409230097 1073016607 /nfs/dbraw/zinc/01/66/07/1073016607.db2.gz BKLQDYLFCYSECD-CFRMEGHHSA-N 0 0 555.077 6.089 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409229410 1073021697 /nfs/dbraw/zinc/02/16/97/1073021697.db2.gz OPGHZNUUNYZINN-XMSCMFJESA-N 0 0 583.529 6.438 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409229018 1073023422 /nfs/dbraw/zinc/02/34/22/1073023422.db2.gz IMFWFXHLKYUCLS-IWIPYMOSSA-N 0 0 587.550 7.378 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409228975 1073024966 /nfs/dbraw/zinc/02/49/66/1073024966.db2.gz HYFSBJAPYPFXGW-LQKURTRISA-N 0 0 590.076 7.141 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409228944 1073025029 /nfs/dbraw/zinc/02/50/29/1073025029.db2.gz HMENHYICOBJXGW-PKAZHMFMSA-N 0 0 542.060 7.090 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)NCc1ccccc1 ZINC000409228754 1073025402 /nfs/dbraw/zinc/02/54/02/1073025402.db2.gz DPPUXOXMRRTDJI-USHMODERSA-N 0 0 552.677 6.580 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409228674 1073026607 /nfs/dbraw/zinc/02/66/07/1073026607.db2.gz CJUDCYXFYGARGW-UZQMFHLOSA-N 0 0 577.522 5.164 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409228222 1073028648 /nfs/dbraw/zinc/02/86/48/1073028648.db2.gz WBQAPLXLCNWWQJ-JJFYIABZSA-N 0 0 577.486 6.873 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409227495 1073032178 /nfs/dbraw/zinc/03/21/78/1073032178.db2.gz PPZGDNXJRQQMTN-MYKKPKGFSA-N 0 0 589.522 6.824 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409237197 1073032429 /nfs/dbraw/zinc/03/24/29/1073032429.db2.gz JXUZDUCCEQKKHL-IMRQLAEWSA-N 0 0 573.095 7.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409237050 1073033591 /nfs/dbraw/zinc/03/35/91/1073033591.db2.gz VJESKLUGDDYHQO-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN CCc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)N(CC)C3=O)cc2OC)cc1 ZINC000409236934 1073034431 /nfs/dbraw/zinc/03/44/31/1073034431.db2.gz IINQAOSNMSWHLO-UNOMPAQXSA-N 0 0 582.485 5.101 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409236990 1073035273 /nfs/dbraw/zinc/03/52/73/1073035273.db2.gz UFCRAWUYQWCOQC-WNFQYIGGSA-N 0 0 583.440 7.436 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409236813 1073035719 /nfs/dbraw/zinc/03/57/19/1073035719.db2.gz HGEJQVZYZCLCMM-MYYYXRDXSA-N 0 0 550.658 5.526 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409236728 1073035903 /nfs/dbraw/zinc/03/59/03/1073035903.db2.gz GXYAUCOJBGVICX-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409236350 1073039492 /nfs/dbraw/zinc/03/94/92/1073039492.db2.gz FHQMWUQWTNYPQE-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)ccc1Br ZINC000409236038 1073040302 /nfs/dbraw/zinc/04/03/02/1073040302.db2.gz RGOHOLUURKCVMF-XKZIYDEJSA-N 0 0 573.921 6.834 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409236076 1073040901 /nfs/dbraw/zinc/04/09/01/1073040901.db2.gz QQYZIYKTINHAQZ-WCEBZYJUSA-N 0 0 577.522 5.164 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409235966 1073041847 /nfs/dbraw/zinc/04/18/47/1073041847.db2.gz QVXGEQNALFVOSL-ZGWJWYQGSA-N 0 0 573.523 6.982 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409235812 1073042739 /nfs/dbraw/zinc/04/27/39/1073042739.db2.gz BWOGGEHZCZDANE-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409235652 1073043227 /nfs/dbraw/zinc/04/32/27/1073043227.db2.gz PMSGJDOWSDEJIX-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000409234179 1073051598 /nfs/dbraw/zinc/05/15/98/1073051598.db2.gz MYMWKHCJITZUGQ-BRPDVVIDSA-N 0 0 566.704 7.465 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409233876 1073053491 /nfs/dbraw/zinc/05/34/91/1073053491.db2.gz UIFGXWFKPQDHGJ-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409233405 1073055375 /nfs/dbraw/zinc/05/53/75/1073055375.db2.gz VXQNYUVWGSZPJO-QFEZKATASA-N 0 0 553.105 6.643 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000409233099 1073056846 /nfs/dbraw/zinc/05/68/46/1073056846.db2.gz KDZLOTXVIPKNLD-MSXFZWOLSA-N 0 0 553.061 5.796 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409232486 1073061697 /nfs/dbraw/zinc/06/16/97/1073061697.db2.gz INQGIRPDLRVVHV-SXOHWRJOSA-N 0 0 567.516 5.790 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409231268 1073066277 /nfs/dbraw/zinc/06/62/77/1073066277.db2.gz JFWSEUODOMIQIL-RMORIDSASA-N 0 0 559.496 6.734 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409230454 1073068841 /nfs/dbraw/zinc/06/88/41/1073068841.db2.gz DNPKVYFGVVOUAE-CEUNXORHSA-N 0 0 518.617 5.855 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409230451 1073068966 /nfs/dbraw/zinc/06/89/66/1073068966.db2.gz DKNOMDCBHVQRQP-VPBNWZFVSA-N 0 0 581.159 7.281 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409230328 1073069858 /nfs/dbraw/zinc/06/98/58/1073069858.db2.gz YGPTURRQOBQOPR-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000409246727 1073074536 /nfs/dbraw/zinc/07/45/36/1073074536.db2.gz CZKFCXQJDXNUQO-CJLVFECKSA-N 0 0 502.640 5.589 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409246369 1073076584 /nfs/dbraw/zinc/07/65/84/1073076584.db2.gz HJRLFVYKGJNNAH-RWPZCVJISA-N 0 0 590.076 7.141 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409246437 1073077092 /nfs/dbraw/zinc/07/70/92/1073077092.db2.gz IJKMAVOFRCXHRE-AYBNGVQBSA-N 0 0 561.125 5.753 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409246077 1073078365 /nfs/dbraw/zinc/07/83/65/1073078365.db2.gz DNLZJQLFUHIQFC-KSEXSDGBSA-N 0 0 572.586 5.853 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409246154 1073078784 /nfs/dbraw/zinc/07/87/84/1073078784.db2.gz FTVQFMPEDCBXTE-OVVQPSECSA-N 0 0 564.711 6.688 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000409245626 1073083881 /nfs/dbraw/zinc/08/38/81/1073083881.db2.gz WSCIIGVKHWJELU-XHFXOGKZSA-N 0 0 567.530 6.737 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O ZINC000409245429 1073084299 /nfs/dbraw/zinc/08/42/99/1073084299.db2.gz SVWKXNVGYFUHKR-BUVRLJJBSA-N 0 0 573.447 5.301 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409245299 1073084992 /nfs/dbraw/zinc/08/49/92/1073084992.db2.gz QODSWLJKQPAHBY-UCQKPKSFSA-N 0 0 585.501 5.890 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409245129 1073085712 /nfs/dbraw/zinc/08/57/12/1073085712.db2.gz NVXBTUDZAQMJOQ-WGARJPEWSA-N 0 0 562.669 5.405 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000409245138 1073085858 /nfs/dbraw/zinc/08/58/58/1073085858.db2.gz NYHMCUVVUZCIOW-QRQIAZFYSA-N 0 0 587.122 7.864 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409244928 1073086118 /nfs/dbraw/zinc/08/61/18/1073086118.db2.gz KRDRMLIENVLEKP-MQKZQLNTSA-N 0 0 587.550 7.372 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409244244 1073089563 /nfs/dbraw/zinc/08/95/63/1073089563.db2.gz ZZSQHDNSQNVFBH-YUMHPJSZSA-N 0 0 525.605 6.575 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409243771 1073091480 /nfs/dbraw/zinc/09/14/80/1073091480.db2.gz YHKVVBFDSKBDIN-LQKURTRISA-N 0 0 563.506 8.216 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1Cl ZINC000409243804 1073091508 /nfs/dbraw/zinc/09/15/08/1073091508.db2.gz UNYKRXXADFUCQJ-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409243646 1073091837 /nfs/dbraw/zinc/09/18/37/1073091837.db2.gz XHRMGQJARKZVMO-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409243625 1073091881 /nfs/dbraw/zinc/09/18/81/1073091881.db2.gz ZDRJFWCNTMECGW-ODLFYWEKSA-N 0 0 582.485 5.235 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409243721 1073091983 /nfs/dbraw/zinc/09/19/83/1073091983.db2.gz XVFAPAXPHCCSHD-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409243516 1073092465 /nfs/dbraw/zinc/09/24/65/1073092465.db2.gz RVTQKHUCBWUCCB-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409243577 1073092563 /nfs/dbraw/zinc/09/25/63/1073092563.db2.gz SSRNAJGCJYNCAV-UFAQQFSPSA-N 0 0 567.132 7.027 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409243510 1073092594 /nfs/dbraw/zinc/09/25/94/1073092594.db2.gz RUKUGVXDAUEUME-CVKSISIWSA-N 0 0 561.469 6.399 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409243327 1073092869 /nfs/dbraw/zinc/09/28/69/1073092869.db2.gz XQVMBFKMWWELPF-QFEZKATASA-N 0 0 553.105 6.697 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409243437 1073093073 /nfs/dbraw/zinc/09/30/73/1073093073.db2.gz WKAXTTNKLJEISA-ZVBGSRNCSA-N 0 0 518.397 6.215 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409243029 1073093975 /nfs/dbraw/zinc/09/39/75/1073093975.db2.gz UOLQZJRFTNNVQH-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409242845 1073096039 /nfs/dbraw/zinc/09/60/39/1073096039.db2.gz PIKBOEZTYKBDQG-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409241638 1073100774 /nfs/dbraw/zinc/10/07/74/1073100774.db2.gz KVNJKHMLMSWTAH-NDENLUEZSA-N 0 0 559.463 5.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c(C)c1 ZINC000409241425 1073101277 /nfs/dbraw/zinc/10/12/77/1073101277.db2.gz NGDGXZTZTDRUDD-FSJBWODESA-N 0 0 521.570 5.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409241464 1073101722 /nfs/dbraw/zinc/10/17/22/1073101722.db2.gz NMOVZWVHJHSQOD-CFRMEGHHSA-N 0 0 557.068 6.610 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409241352 1073102119 /nfs/dbraw/zinc/10/21/19/1073102119.db2.gz RPIXTECLVSCFHM-RWPZCVJISA-N 0 0 634.527 7.250 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409241305 1073102212 /nfs/dbraw/zinc/10/22/12/1073102212.db2.gz QZOHMJDXLGCTFW-IWIPYMOSSA-N 0 0 583.529 6.443 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409241358 1073102733 /nfs/dbraw/zinc/10/27/33/1073102733.db2.gz RRLNRRBNEDKNPK-WQFTWXBESA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409240795 1073106701 /nfs/dbraw/zinc/10/67/01/1073106701.db2.gz PVUFDQILWXBDOX-HMAPJEAMSA-N 0 0 559.496 6.815 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409240231 1073110722 /nfs/dbraw/zinc/11/07/22/1073110722.db2.gz PCBYBJCVXAJMAJ-MSXFZWOLSA-N 0 0 557.524 7.342 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409239689 1073112437 /nfs/dbraw/zinc/11/24/37/1073112437.db2.gz DDYUTQQNDDGISG-UCQKPKSFSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409239612 1073113765 /nfs/dbraw/zinc/11/37/65/1073113765.db2.gz HQQDSIFODFGMTE-ACMDDDSKSA-N 0 0 557.068 6.468 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409239425 1073114499 /nfs/dbraw/zinc/11/44/99/1073114499.db2.gz PWWSORFNLFPYFH-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000409239120 1073115970 /nfs/dbraw/zinc/11/59/70/1073115970.db2.gz GMCZUWFBNCHJQQ-XKZIYDEJSA-N 0 0 559.040 5.920 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409238902 1073118396 /nfs/dbraw/zinc/11/83/96/1073118396.db2.gz OHMBSLQSTSFKFV-LQKURTRISA-N 0 0 590.076 7.141 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409237913 1073122985 /nfs/dbraw/zinc/12/29/85/1073122985.db2.gz JJZVDZVMZNJDAA-CEUNXORHSA-N 0 0 582.703 7.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409237817 1073124443 /nfs/dbraw/zinc/12/44/43/1073124443.db2.gz JVEKGONHIOMMBT-QQXSKIMKSA-N 0 0 563.701 5.583 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409237870 1073124871 /nfs/dbraw/zinc/12/48/71/1073124871.db2.gz KCAKFXOIQLTVQR-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409237746 1073125931 /nfs/dbraw/zinc/12/59/31/1073125931.db2.gz LKYLGLXFPBOUNV-UUYOSTAYSA-N 0 0 573.490 5.778 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)c(OC)c3)SC2=S)cc1 ZINC000409251373 1073128105 /nfs/dbraw/zinc/12/81/05/1073128105.db2.gz PTTNSCINWKTDDE-XKZIYDEJSA-N 0 0 575.495 6.434 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c(C)c1 ZINC000409251216 1073129399 /nfs/dbraw/zinc/12/93/99/1073129399.db2.gz OWWWJJLJDXYOJF-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409250986 1073132239 /nfs/dbraw/zinc/13/22/39/1073132239.db2.gz NOKWFLNJSPBWJU-KBKYJPHKSA-N 0 0 620.505 7.372 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409250746 1073132330 /nfs/dbraw/zinc/13/23/30/1073132330.db2.gz YAQHIGVCEPLWPL-KQWNVCNZSA-N 0 0 553.503 5.911 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409249959 1073139057 /nfs/dbraw/zinc/13/90/57/1073139057.db2.gz KJFFECVMGFQSAQ-JAIQZWGSSA-N 0 0 525.479 6.021 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C ZINC000409249962 1073139117 /nfs/dbraw/zinc/13/91/17/1073139117.db2.gz KKHLFKJNSMWEMA-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409249934 1073139130 /nfs/dbraw/zinc/13/91/30/1073139130.db2.gz JYOVHNMDDPKTHY-HZRSJKMUSA-N 0 0 522.623 5.814 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409249722 1073139736 /nfs/dbraw/zinc/13/97/36/1073139736.db2.gz OCUZIOBFMPSELN-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409249809 1073139756 /nfs/dbraw/zinc/13/97/56/1073139756.db2.gz LPQDUQUGFUJURO-OGLMXYFKSA-N 0 0 529.061 7.563 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409249031 1073144295 /nfs/dbraw/zinc/14/42/95/1073144295.db2.gz IEMQKPLZHRDXBU-ZWXNIRCYSA-N 0 0 532.687 6.292 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)SC1=S ZINC000409248866 1073145302 /nfs/dbraw/zinc/14/53/02/1073145302.db2.gz HKVKTYHRQYCZBG-UNOMPAQXSA-N 0 0 510.559 5.343 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409248573 1073147023 /nfs/dbraw/zinc/14/70/23/1073147023.db2.gz HDUHDPJYOISMAH-MSXFZWOLSA-N 0 0 557.068 6.528 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1 ZINC000409248643 1073147569 /nfs/dbraw/zinc/14/75/69/1073147569.db2.gz LTDPEXDDABPDKS-YDZHTSKRSA-N 0 0 538.025 5.518 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409248530 1073148880 /nfs/dbraw/zinc/14/88/80/1073148880.db2.gz DOBUVJODQVQRBP-IWIPYMOSSA-N 0 0 538.622 5.656 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1Cl ZINC000409248399 1073149687 /nfs/dbraw/zinc/14/96/87/1073149687.db2.gz GCWQSQWPNQDGSU-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409248406 1073149689 /nfs/dbraw/zinc/14/96/89/1073149689.db2.gz KCSOEZHJPOVGRK-BCUAHEQISA-N 0 0 553.489 5.400 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c1 ZINC000409248070 1073150889 /nfs/dbraw/zinc/15/08/89/1073150889.db2.gz BRUKUCCBGWKADK-IWIPYMOSSA-N 0 0 519.648 5.185 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409247929 1073151764 /nfs/dbraw/zinc/15/17/64/1073151764.db2.gz FBXKUINGMQRPQL-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409247680 1073152156 /nfs/dbraw/zinc/15/21/56/1073152156.db2.gz AHPMZOJEAOBPQK-UHFFFAOYSA-N 0 0 624.093 6.956 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409247617 1073153702 /nfs/dbraw/zinc/15/37/02/1073153702.db2.gz DTFLRQRDUIGLRQ-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409256913 1073158562 /nfs/dbraw/zinc/15/85/62/1073158562.db2.gz MTGUEDFFSUVLDU-ZDLGFXPLSA-N 0 0 535.485 5.231 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1Cl ZINC000409256730 1073159480 /nfs/dbraw/zinc/15/94/80/1073159480.db2.gz PGNZITORBXEJQV-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409256772 1073159765 /nfs/dbraw/zinc/15/97/65/1073159765.db2.gz PXOBBUPQVWPFJP-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409256827 1073159786 /nfs/dbraw/zinc/15/97/86/1073159786.db2.gz QECLPSRKMVLUAG-SYERDGIWSA-N 0 0 522.570 5.103 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4CC)c(OC)c3)SC2=S)cc1 ZINC000409256476 1073160590 /nfs/dbraw/zinc/16/05/90/1073160590.db2.gz LNFGVHNRQZOZQY-ONUIUJJFSA-N 0 0 532.687 6.243 40 10 KKCBRN O=C(COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409256130 1073163949 /nfs/dbraw/zinc/16/39/49/1073163949.db2.gz KDCYUASYHWJVNW-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)SC2=S)c(C)c1 ZINC000409255838 1073165891 /nfs/dbraw/zinc/16/58/91/1073165891.db2.gz LFRBSQPCCSTYFL-MYYYXRDXSA-N 0 0 516.688 6.652 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409255620 1073166352 /nfs/dbraw/zinc/16/63/52/1073166352.db2.gz MKQKMTALOOXORU-DEYGKZMTSA-N 0 0 526.680 5.100 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409255497 1073167110 /nfs/dbraw/zinc/16/71/10/1073167110.db2.gz LECXTRDLITYUEV-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)SC2=S)cc1 ZINC000409255429 1073167298 /nfs/dbraw/zinc/16/72/98/1073167298.db2.gz KJCVWWOFLAKPHZ-XYGWBWBKSA-N 0 0 516.688 6.598 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1 ZINC000409255503 1073167803 /nfs/dbraw/zinc/16/78/03/1073167803.db2.gz LFRUFSRPBVDAEZ-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)SC2=S)cc1 ZINC000409255243 1073168661 /nfs/dbraw/zinc/16/86/61/1073168661.db2.gz HLMXZLHLSYEPLM-UCQKPKSFSA-N 0 0 524.067 5.829 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1 ZINC000409255119 1073169186 /nfs/dbraw/zinc/16/91/86/1073169186.db2.gz KMQBESQIMPADTA-HMAPJEAMSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409255087 1073169192 /nfs/dbraw/zinc/16/91/92/1073169192.db2.gz XTICIMJHSOUXHV-XKZIYDEJSA-N 0 0 562.566 6.276 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C ZINC000409254935 1073169553 /nfs/dbraw/zinc/16/95/53/1073169553.db2.gz GIUGYYQRJGEPBZ-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409254652 1073171850 /nfs/dbraw/zinc/17/18/50/1073171850.db2.gz XYPLYXAXNCBLFW-LIAPLOTISA-N 0 0 518.660 5.353 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409254479 1073172812 /nfs/dbraw/zinc/17/28/12/1073172812.db2.gz DNXMEEDCPBDOTL-UUASQNMZSA-N 0 0 548.267 5.271 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c(C)c1 ZINC000409254346 1073174609 /nfs/dbraw/zinc/17/46/09/1073174609.db2.gz YXKAFGQOZZQBCD-XYGWBWBKSA-N 0 0 531.703 6.101 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)SC1=S ZINC000409253839 1073177651 /nfs/dbraw/zinc/17/76/51/1073177651.db2.gz VNVSLWNPNLCLMP-UNOMPAQXSA-N 0 0 525.479 6.021 40 10 KKCBRN COc1cc([C@@H](CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138556 1073179137 /nfs/dbraw/zinc/17/91/37/1073179137.db2.gz CKJPVPCEHGIPPN-UEOVABOPSA-N 0 0 707.773 5.388 40 10 KKCBRN COc1cc([C@H](CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138553 1073179152 /nfs/dbraw/zinc/17/91/52/1073179152.db2.gz CKJPVPCEHGIPPN-GLSOUHKVSA-N 0 0 707.773 5.388 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409253037 1073183842 /nfs/dbraw/zinc/18/38/42/1073183842.db2.gz AMPDCWRNQFPWPS-VLZFXTDASA-N 0 0 547.098 5.445 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409253024 1073183853 /nfs/dbraw/zinc/18/38/53/1073183853.db2.gz FUYXMOAZWSFJMV-NDENLUEZSA-N 0 0 533.433 6.556 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409252830 1073184274 /nfs/dbraw/zinc/18/42/74/1073184274.db2.gz UCWQBNLHFPPHGI-WMWHPZEKSA-N 0 0 539.078 6.329 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2OC)cc1 ZINC000409252797 1073184299 /nfs/dbraw/zinc/18/42/99/1073184299.db2.gz TWVRTPUWPOHYCC-IWIPYMOSSA-N 0 0 538.622 5.656 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409252738 1073185625 /nfs/dbraw/zinc/18/56/25/1073185625.db2.gz SNNODTZPLCKUDP-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409252448 1073187874 /nfs/dbraw/zinc/18/78/74/1073187874.db2.gz BSWLGZBKJGYABA-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409252450 1073187913 /nfs/dbraw/zinc/18/79/13/1073187913.db2.gz RXCKSYCMRPFYGW-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252239 1073188280 /nfs/dbraw/zinc/18/82/80/1073188280.db2.gz WWZSZTVBAFFICP-APQFFPOMSA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409252156 1073189530 /nfs/dbraw/zinc/18/95/30/1073189530.db2.gz CEFHXOZXHZZNDZ-RIWZNOJBSA-N 0 0 533.071 5.136 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409251931 1073190037 /nfs/dbraw/zinc/19/00/37/1073190037.db2.gz AMGHOTSIFIMHEM-JLPGSUDCSA-N 0 0 539.078 5.810 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1C ZINC000409251767 1073190519 /nfs/dbraw/zinc/19/05/19/1073190519.db2.gz BLHHGEWVNUJEHI-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409251874 1073191397 /nfs/dbraw/zinc/19/13/97/1073191397.db2.gz QUMLHTUEJWIBDM-UXHLAJHPSA-N 0 0 566.633 5.906 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1Cl ZINC000409251693 1073192262 /nfs/dbraw/zinc/19/22/62/1073192262.db2.gz BCUJZRYUBLGLLX-YNJLWJOVSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409251610 1073193118 /nfs/dbraw/zinc/19/31/18/1073193118.db2.gz AQIQKTLROYTKMS-ZDLGFXPLSA-N 0 0 511.452 5.629 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409262541 1073193896 /nfs/dbraw/zinc/19/38/96/1073193896.db2.gz FTLSZQAMBXJFRH-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409262565 1073193961 /nfs/dbraw/zinc/19/39/61/1073193961.db2.gz IWGYHOLSZYIZOL-CFRMEGHHSA-N 0 0 539.078 5.758 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409267137 1073196689 /nfs/dbraw/zinc/19/66/89/1073196689.db2.gz SOYILAYUQPUPOZ-UNOMPAQXSA-N 0 0 535.485 5.259 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409266734 1073199682 /nfs/dbraw/zinc/19/96/82/1073199682.db2.gz KXZVYUTYVFFBKN-JAIQZWGSSA-N 0 0 549.457 6.014 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409266775 1073200145 /nfs/dbraw/zinc/20/01/45/1073200145.db2.gz RDZMUXDASIVCCA-MTJSOVHGSA-N 0 0 547.029 5.890 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409266768 1073200160 /nfs/dbraw/zinc/20/01/60/1073200160.db2.gz RHRIYHNVOFEZMP-XKZIYDEJSA-N 0 0 535.087 5.302 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409266369 1073201539 /nfs/dbraw/zinc/20/15/39/1073201539.db2.gz WGBWRBXKVVKPMR-BKUYFWCQSA-N 0 0 529.039 5.751 40 10 KKCBRN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(Sc4nc5ccccc5s4)c3)c3cccc1c23 ZINC000008974186 1073203059 /nfs/dbraw/zinc/20/30/59/1073203059.db2.gz FPEJYPJGWHCTBT-UHFFFAOYSA-N 0 0 505.602 5.673 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409266189 1073204021 /nfs/dbraw/zinc/20/40/21/1073204021.db2.gz PRUXNPQWRDWYKW-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409265945 1073204471 /nfs/dbraw/zinc/20/44/71/1073204471.db2.gz VFSSEFODKURGCI-JCMHNJIXSA-N 0 0 543.497 6.455 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409265531 1073206469 /nfs/dbraw/zinc/20/64/69/1073206469.db2.gz VKBNPNJFCIZLRC-ODLFYWEKSA-N 0 0 545.004 5.614 40 10 KKCBRN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C4CCCC4)C3=O)oc21 ZINC000039983474 1073210314 /nfs/dbraw/zinc/21/03/14/1073210314.db2.gz KNNWCONPRPBXNX-HZHRSRAPSA-N 0 0 501.633 6.438 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409264852 1073210425 /nfs/dbraw/zinc/21/04/25/1073210425.db2.gz GKWSNWUGUVQDDO-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409264860 1073210433 /nfs/dbraw/zinc/21/04/33/1073210433.db2.gz GOWIVEKTRAWUNX-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409264570 1073212000 /nfs/dbraw/zinc/21/20/00/1073212000.db2.gz MHJWGMMUNXSMCE-WWAUWJAYSA-N 0 0 532.687 6.292 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409264045 1073213985 /nfs/dbraw/zinc/21/39/85/1073213985.db2.gz KIPWXFLYNDPPRT-UHFFFAOYSA-N 0 0 660.908 6.712 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409263660 1073216711 /nfs/dbraw/zinc/21/67/11/1073216711.db2.gz NMNMMTDDWCMTQW-NHDPSOOVSA-N 0 0 515.012 5.361 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)NCc1ccccc1 ZINC000409263329 1073218154 /nfs/dbraw/zinc/21/81/54/1073218154.db2.gz IPUPCAQAHWBPJV-UUYOSTAYSA-N 0 0 529.470 6.094 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409262731 1073219962 /nfs/dbraw/zinc/21/99/62/1073219962.db2.gz GTWFHYNMMJGCCR-OYKKKHCWSA-N 0 0 538.622 5.656 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000409262352 1073222277 /nfs/dbraw/zinc/22/22/77/1073222277.db2.gz GZVKZJYBPGLXCK-GFIJVFARSA-N 0 0 547.496 5.155 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2OC)c1 ZINC000409262386 1073222687 /nfs/dbraw/zinc/22/26/87/1073222687.db2.gz IGMNZMLYFRQADY-OYKKKHCWSA-N 0 0 520.632 5.436 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409262395 1073222704 /nfs/dbraw/zinc/22/27/04/1073222704.db2.gz IIWQBLDJJHWVLX-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409262102 1073224178 /nfs/dbraw/zinc/22/41/78/1073224178.db2.gz CQDDGDNWXVALPU-YVLHZVERSA-N 0 0 541.876 5.350 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409261892 1073224460 /nfs/dbraw/zinc/22/44/60/1073224460.db2.gz FSHLMODDAQXBHB-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409261788 1073225831 /nfs/dbraw/zinc/22/58/31/1073225831.db2.gz BGXNKNSOTLBTCO-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409261659 1073226514 /nfs/dbraw/zinc/22/65/14/1073226514.db2.gz COAVYSJQSCANAL-UCQKPKSFSA-N 0 0 543.497 6.455 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409261484 1073227279 /nfs/dbraw/zinc/22/72/79/1073227279.db2.gz DFNFSKCMVUKYKG-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409261305 1073228088 /nfs/dbraw/zinc/22/80/88/1073228088.db2.gz CPVPURLPDUOHGK-WFSKJOQISA-N 0 0 532.687 6.374 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2OC)cc1 ZINC000409260577 1073233029 /nfs/dbraw/zinc/23/30/29/1073233029.db2.gz SIWYAWROUHOIIW-ONUIUJJFSA-N 0 0 547.702 5.747 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409260231 1073236086 /nfs/dbraw/zinc/23/60/86/1073236086.db2.gz NBKJJSFLLYOASY-XYGWBWBKSA-N 0 0 547.702 5.801 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccccc1Cl ZINC000409259748 1073238312 /nfs/dbraw/zinc/23/83/12/1073238312.db2.gz DTCQFUZHPFZRPR-FMCGGJTJSA-N 0 0 539.034 5.488 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)SC2=S)cc1 ZINC000409259520 1073238657 /nfs/dbraw/zinc/23/86/57/1073238657.db2.gz ABMYGWKLXNNRJX-UCQKPKSFSA-N 0 0 525.051 6.162 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)SC1=S ZINC000409259781 1073238686 /nfs/dbraw/zinc/23/86/86/1073238686.db2.gz FGDONECGSOLODU-MOSHPQCFSA-N 0 0 523.051 5.897 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409259780 1073238704 /nfs/dbraw/zinc/23/87/04/1073238704.db2.gz FFPMTLZZDOQMSJ-UHFFFAOYSA-N 0 0 589.648 6.303 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409259056 1073242682 /nfs/dbraw/zinc/24/26/82/1073242682.db2.gz ZFEYASXGPCPXBI-ODLFYWEKSA-N 0 0 511.452 5.249 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OCC)cc1 ZINC000409258869 1073243480 /nfs/dbraw/zinc/24/34/80/1073243480.db2.gz YADZRBIEEYHGJW-IWIPYMOSSA-N 0 0 538.647 5.496 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409258523 1073245120 /nfs/dbraw/zinc/24/51/20/1073245120.db2.gz XXESFJKVFMWLSZ-YSMPRRRNSA-N 0 0 546.714 6.661 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409258604 1073245503 /nfs/dbraw/zinc/24/55/03/1073245503.db2.gz VPAHQUDAFNWRDM-STZFKDTASA-N 0 0 525.449 5.872 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000409257795 1073249654 /nfs/dbraw/zinc/24/96/54/1073249654.db2.gz VDGGUJSOOQFUDP-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2OC)c1 ZINC000409257704 1073250553 /nfs/dbraw/zinc/25/05/53/1073250553.db2.gz PSIDZCRRKUYZRG-XYGWBWBKSA-N 0 0 534.659 5.165 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)c(C)c1 ZINC000409257589 1073251771 /nfs/dbraw/zinc/25/17/71/1073251771.db2.gz QXICLTRWIMQMFL-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1 ZINC000409272725 1073253375 /nfs/dbraw/zinc/25/33/75/1073253375.db2.gz RWFSTPVPSVOLBD-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409271484 1073262227 /nfs/dbraw/zinc/26/22/27/1073262227.db2.gz LLRIHTMDEANQJI-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409270491 1073270610 /nfs/dbraw/zinc/27/06/10/1073270610.db2.gz QDDFCUOIUYNIOK-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000409270264 1073272189 /nfs/dbraw/zinc/27/21/89/1073272189.db2.gz OLGPEFQIJPFNDA-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000409269164 1073278972 /nfs/dbraw/zinc/27/89/72/1073278972.db2.gz GHGJGGOVQVSJOF-YOBACFSGSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409268899 1073281263 /nfs/dbraw/zinc/28/12/63/1073281263.db2.gz ZGBKLAYVJXAURV-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409268607 1073282814 /nfs/dbraw/zinc/28/28/14/1073282814.db2.gz WNDRQWOILISAQN-UUYOSTAYSA-N 0 0 529.014 5.911 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)ccc1Br ZINC000409268600 1073282819 /nfs/dbraw/zinc/28/28/19/1073282819.db2.gz WJKCMEHLZMXONX-VFAFIFLJSA-N 0 0 547.496 5.155 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c(C)c1 ZINC000409267505 1073289964 /nfs/dbraw/zinc/28/99/64/1073289964.db2.gz NATAQNCPWKXFJH-MXAYSNPKSA-N 0 0 546.670 5.759 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409276155 1073291387 /nfs/dbraw/zinc/29/13/87/1073291387.db2.gz OGNRNZMCTJTHCY-QFEZKATASA-N 0 0 549.574 6.941 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409273260 1073334058 /nfs/dbraw/zinc/33/40/58/1073334058.db2.gz WROOLBOOZXTKOA-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)cc2)c1 ZINC000059483111 193900603 /nfs/dbraw/zinc/90/06/03/193900603.db2.gz BINVYAQVCSQMGO-DIBXZPPDSA-N 0 0 503.514 5.957 40 10 KKCBRN O=C(Nc1ccc(N=Nc2ccc([N+](=O)[N-]c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000100368334 193904460 /nfs/dbraw/zinc/90/44/60/193904460.db2.gz WEEJEQGCJULCFK-JKWOPUAESA-N 0 0 540.583 8.532 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000100368199 193904560 /nfs/dbraw/zinc/90/45/60/193904560.db2.gz BIHCHSJGVJTOIQ-BUVRLJJBSA-N 0 0 535.071 7.958 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc3o2)cc1 ZINC000100379094 193910238 /nfs/dbraw/zinc/91/02/38/193910238.db2.gz RFFJRJFJERCUIA-UHFFFAOYSA-N 0 0 543.476 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225531483 193966201 /nfs/dbraw/zinc/96/62/01/193966201.db2.gz LXYAZXAMSVASMY-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)SC1=S ZINC000409382818 195516255 /nfs/dbraw/zinc/51/62/55/195516255.db2.gz RGJYGLKZHWACFM-YVLHZVERSA-N 0 0 515.825 5.745 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)SC2=S)cc1 ZINC000409051849 195503076 /nfs/dbraw/zinc/50/30/76/195503076.db2.gz GRRLRJRDLDSZKM-UUYOSTAYSA-N 0 0 518.462 7.421 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409230515 195504468 /nfs/dbraw/zinc/50/44/68/195504468.db2.gz ZAJODZIJAWKQON-ACMDDDSKSA-N 0 0 573.523 6.982 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409231159 195506337 /nfs/dbraw/zinc/50/63/37/195506337.db2.gz HZCKQAFBEZWVEJ-DBXOKZBGSA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2OC)cc1 ZINC000409232003 195508802 /nfs/dbraw/zinc/50/88/02/195508802.db2.gz MOPXETKYFDSAHN-WGARJPEWSA-N 0 0 578.668 5.242 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000000864592 551552334 /nfs/dbraw/zinc/55/23/34/551552334.db2.gz UAJVMCLXWSULPS-TZRRMPRUSA-N 0 0 544.401 5.268 40 10 KKCBRN COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000000920516 551574278 /nfs/dbraw/zinc/57/42/78/551574278.db2.gz WRBCUIATVMHFJL-UHFFFAOYSA-N 0 0 548.640 5.693 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001248695 551631933 /nfs/dbraw/zinc/63/19/33/551631933.db2.gz WXKOZTOKYGAJOH-NDENLUEZSA-N 0 0 532.087 6.147 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001826086 551709976 /nfs/dbraw/zinc/70/99/76/551709976.db2.gz NZVAGZHYYLOOGZ-NGDRWEMDSA-N 0 0 586.600 5.928 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000002075862 551749930 /nfs/dbraw/zinc/74/99/30/551749930.db2.gz HSOZMTASDNSERI-AXHZCLLHSA-N 0 0 549.412 7.095 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002185374 551786445 /nfs/dbraw/zinc/78/64/45/551786445.db2.gz ISEJQOWCZSKSIP-DDIUQFJASA-N 0 0 567.755 5.946 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002775987 552186999 /nfs/dbraw/zinc/18/69/99/552186999.db2.gz HQLBIMACKDURNZ-ZFWDJNJRSA-N 0 0 584.500 5.652 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000004119453 552439228 /nfs/dbraw/zinc/43/92/28/552439228.db2.gz YCHLDQUWABZTKE-HKBOAZHASA-N 0 0 526.759 5.342 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000004182235 552446854 /nfs/dbraw/zinc/44/68/54/552446854.db2.gz REMNUTUTHCRYID-HKBOAZHASA-N 0 0 526.759 5.342 40 10 KKCBRN O=C1c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2C(=O)[C@H]2[C@@H](c3ccccc3)c3ccccc3[C@H](c3ccccc3)[C@H]12 ZINC000005203209 552494750 /nfs/dbraw/zinc/49/47/50/552494750.db2.gz QGZNJDOMXWNBIH-MXAOVZPPSA-N 0 0 616.760 10.763 40 10 KKCBRN COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2ccccc2Cl)c1-c1ccccc1 ZINC000005809097 552509731 /nfs/dbraw/zinc/50/97/31/552509731.db2.gz KUUOOOAYGCWPJU-XAHDOWKMSA-N 0 0 550.018 7.964 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C3CCCCC3)cc2)cc1 ZINC000006074551 552523683 /nfs/dbraw/zinc/52/36/83/552523683.db2.gz DWTDQTUZKPOWPW-JGCGQSQUSA-N 0 0 566.750 6.234 40 10 KKCBRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc43)c(O)c3ccccc23)c1C ZINC000006142967 552544573 /nfs/dbraw/zinc/54/45/73/552544573.db2.gz HEDFUWDENXKERY-UHFFFAOYSA-N 0 0 542.726 7.960 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006167977 552558302 /nfs/dbraw/zinc/55/83/02/552558302.db2.gz JWSFRLAGLHUOIT-GVMLUORFSA-N 0 0 582.509 5.431 40 10 KKCBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000006195070 552566884 /nfs/dbraw/zinc/56/68/84/552566884.db2.gz YFUZHESRSFYOED-LJQANCHMSA-N 0 0 527.668 5.209 40 10 KKCBRN O=C(CCc1ccccc1)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000006446129 552588376 /nfs/dbraw/zinc/58/83/76/552588376.db2.gz SEJFJRNDJNHHKM-UGOBPDKASA-N 0 0 534.900 6.834 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000008767732 553139777 /nfs/dbraw/zinc/13/97/77/553139777.db2.gz BMFQCVHYRACUGY-STROYTFGSA-N 0 0 502.526 5.093 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1OC ZINC000008819508 553154254 /nfs/dbraw/zinc/15/42/54/553154254.db2.gz JRZVERVGNLKOHH-QJOMJCCJSA-N 0 0 512.697 5.513 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 ZINC000008819808 553154507 /nfs/dbraw/zinc/15/45/07/553154507.db2.gz OONLLSHIJOSFAK-JWGURIENSA-N 0 0 507.706 6.519 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000008819769 553154522 /nfs/dbraw/zinc/15/45/22/553154522.db2.gz MHGQDIKUYPDUMT-HKWRFOASSA-N 0 0 503.487 6.158 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000008819631 553154530 /nfs/dbraw/zinc/15/45/30/553154530.db2.gz DFMKVVFRXNMGRO-NDENLUEZSA-N 0 0 509.634 5.159 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000008819854 553154531 /nfs/dbraw/zinc/15/45/31/553154531.db2.gz HXGJRZLYJYCUNC-MOSHPQCFSA-N 0 0 509.480 6.402 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000008820078 553155111 /nfs/dbraw/zinc/15/51/11/553155111.db2.gz PDMOKCHEMPAPSY-HKWRFOASSA-N 0 0 503.045 5.527 40 10 KKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000008820379 553155411 /nfs/dbraw/zinc/15/54/11/553155411.db2.gz JVRBQAPYTNUQCJ-LRFQPHQISA-N 0 0 512.081 5.783 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000008820316 553155432 /nfs/dbraw/zinc/15/54/32/553155432.db2.gz ZFEGPNTXWOYFDB-LDADJPATSA-N 0 0 504.058 5.600 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N(Cc2ccccc2)c2ccccc2)C1=O ZINC000008820611 553155593 /nfs/dbraw/zinc/15/55/93/553155593.db2.gz BDJNMXDBAHOTPR-QBSHAXJYSA-N 0 0 512.700 6.848 40 10 KKCBRN CCN(CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1 ZINC000008820875 553155612 /nfs/dbraw/zinc/15/56/12/553155612.db2.gz KEEVBWRZXMRNKH-ONUIUJJFSA-N 0 0 522.070 6.856 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1OC ZINC000008821305 553155760 /nfs/dbraw/zinc/15/57/60/553155760.db2.gz DQFQWXAPTMEWSS-ONUIUJJFSA-N 0 0 505.661 6.035 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000008821724 553155845 /nfs/dbraw/zinc/15/58/45/553155845.db2.gz PEZUWCSKYYSWIL-UQQQWYQISA-N 0 0 508.018 5.851 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821786 553156025 /nfs/dbraw/zinc/15/60/25/553156025.db2.gz BRTTYHLNFBBPJM-ITYLOYPMSA-N 0 0 520.054 5.720 40 10 KKCBRN CCc1cccc(C)c1N(C(=O)Cn1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc21)[C@H](C)COC ZINC000008834689 553161096 /nfs/dbraw/zinc/16/10/96/553161096.db2.gz JUNZFPUSPJSVKQ-BKWQBPKISA-N 0 0 510.682 6.212 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000008997132 553197780 /nfs/dbraw/zinc/19/77/80/553197780.db2.gz XVZXTQADKLGPSK-TWJOJJKGSA-N 0 0 506.558 5.643 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009009655 553199519 /nfs/dbraw/zinc/19/95/19/553199519.db2.gz GVWJNEOJIHKVKX-PKTNWEFCSA-N 0 0 521.613 5.752 40 10 KKCBRN COC(=O)[C@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009089647 553209138 /nfs/dbraw/zinc/20/91/38/553209138.db2.gz MADJSAKCXBPCHO-WXFUMESZSA-N 0 0 503.476 5.312 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000009109516 553209940 /nfs/dbraw/zinc/20/99/40/553209940.db2.gz CAEOJQLDXOEADA-TWLDFKIOSA-N 0 0 512.565 5.500 40 10 KKCBRN CCOc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)Nc1ccc(CC)cc1 ZINC000009232225 553223593 /nfs/dbraw/zinc/22/35/93/553223593.db2.gz FDNYSBJNYYYYEM-KMUCBOENSA-N 0 0 512.653 5.639 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000009232420 553223666 /nfs/dbraw/zinc/22/36/66/553223666.db2.gz AFSOQTNVMGMNAF-HZHRSRAPSA-N 0 0 511.068 6.399 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000009234524 553224939 /nfs/dbraw/zinc/22/49/39/553224939.db2.gz XQMNSZDUQDZORV-WYMPLXKRSA-N 0 0 522.667 5.854 40 10 KKCBRN Cc1c(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1C ZINC000009635882 553291904 /nfs/dbraw/zinc/29/19/04/553291904.db2.gz XZMYCUZRIMVJHR-KWAFVZIISA-N 0 0 503.631 6.282 40 10 KKCBRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000010113532 553329275 /nfs/dbraw/zinc/32/92/75/553329275.db2.gz BLSYGWYIISBNCX-UHFFFAOYSA-N 0 0 518.466 5.105 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475224 553370627 /nfs/dbraw/zinc/37/06/27/553370627.db2.gz KBIJJJWFJDZLPU-MGBGTMOVSA-N 0 0 536.720 6.038 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475191 553370632 /nfs/dbraw/zinc/37/06/32/553370632.db2.gz VIWVWHIPADXKCD-SSEXGKCCSA-N 0 0 512.654 5.588 40 10 KKCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccccc1Cl ZINC000013025049 553435353 /nfs/dbraw/zinc/43/53/53/553435353.db2.gz RVGQUQJLDXPXCY-SANMLTNESA-N 0 0 508.018 5.217 40 10 KKCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000013025051 553435367 /nfs/dbraw/zinc/43/53/67/553435367.db2.gz NPVKXUZWCLMIFQ-AREMUKBSSA-N 0 0 508.018 5.217 40 10 KKCBRN Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013612558 553477823 /nfs/dbraw/zinc/47/78/23/553477823.db2.gz HMMHVXRTYQKNGP-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000013670752 553481792 /nfs/dbraw/zinc/48/17/92/553481792.db2.gz DVTNHGLBOSYJFY-UHFFFAOYSA-N 0 0 518.466 5.105 40 10 KKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013671750 553482141 /nfs/dbraw/zinc/48/21/41/553482141.db2.gz QOCAFMMZRPAARA-UHFFFAOYSA-N 0 0 525.674 5.612 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000014274258 553507083 /nfs/dbraw/zinc/50/70/83/553507083.db2.gz XHKLOGLVRWOXGJ-UHFFFAOYSA-N 0 0 501.007 6.277 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000014413819 553517105 /nfs/dbraw/zinc/51/71/05/553517105.db2.gz DRWPXEWYWMDTAO-BKUYFWCQSA-N 0 0 507.945 5.944 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000016216690 553556857 /nfs/dbraw/zinc/55/68/57/553556857.db2.gz SOHKGEJSCPEXDV-OYKKKHCWSA-N 0 0 512.052 6.338 40 10 KKCBRN Cc1cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)ccc1[N+](=O)[O-] ZINC000016283188 553558452 /nfs/dbraw/zinc/55/84/52/553558452.db2.gz OKFXWFNAPNXTFV-XMHGGMMESA-N 0 0 517.368 7.941 40 10 KKCBRN CCCCN(CCCC)c1nc(-c2ccc(OC[C@H]3CO3)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 ZINC000016638747 553570539 /nfs/dbraw/zinc/57/05/39/553570539.db2.gz QCWYFAAZYYTTQQ-XHWLHZJSSA-N 0 0 509.632 7.318 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1 ZINC000016678633 553571878 /nfs/dbraw/zinc/57/18/78/553571878.db2.gz PEEDIGLITXXPLH-UHFFFAOYSA-N 0 0 502.640 6.255 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1 ZINC000016678641 553571891 /nfs/dbraw/zinc/57/18/91/553571891.db2.gz SBGKUGOEKZHZQQ-UHFFFAOYSA-N 0 0 513.450 6.775 40 10 KKCBRN C[C@@H]1CCCN(/N=N/c2ccc(Br)cc2-c2nc(N)c3cc(Br)ccc3n2)C1 ZINC000017046965 553587371 /nfs/dbraw/zinc/58/73/71/553587371.db2.gz XESZMXUGOFDXFO-HGVRRNKTSA-N 0 0 504.230 6.135 40 10 KKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCCOc1ccc(Br)cc1 ZINC000070453893 553593883 /nfs/dbraw/zinc/59/38/83/553593883.db2.gz BNSIQNAIEWZSNQ-UHFFFAOYSA-N 0 0 505.412 6.995 40 10 KKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2ccc(N(C)C)cc2Cl)c(OC)c1 ZINC000019325542 553613026 /nfs/dbraw/zinc/61/30/26/553613026.db2.gz FBTPVMDKWBGJIE-UHFFFAOYSA-N 0 0 540.104 5.847 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCSc2ccc(C)cc2)cc1 ZINC000020288624 553633425 /nfs/dbraw/zinc/63/34/25/553633425.db2.gz BWSTUXHXEKSZOA-PLRJNAJWSA-N 0 0 514.676 6.020 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000020288697 553633471 /nfs/dbraw/zinc/63/34/71/553633471.db2.gz JRVOPWAXXUYPGF-SXBRIOAWSA-N 0 0 519.620 6.671 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccccc4)N=C3c3ccc(OC)cc3)cc2)cc1 ZINC000020288454 553633502 /nfs/dbraw/zinc/63/35/02/553633502.db2.gz HYNGGJYOMJBBAC-ANYBSYGZSA-N 0 0 504.590 6.584 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(Br)cc1 ZINC000083293011 553676417 /nfs/dbraw/zinc/67/64/17/553676417.db2.gz UPYYGOHEXLPJEW-KGENOOAVSA-N 0 0 507.380 6.417 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000096577233 553756102 /nfs/dbraw/zinc/75/61/02/553756102.db2.gz ZDEAIFPFDXYBDR-ULJHMMPZSA-N 0 0 504.633 5.157 40 10 KKCBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859546 553762215 /nfs/dbraw/zinc/76/22/15/553762215.db2.gz OJZZRJOIPSIXRU-KKLWWLSJSA-N 0 0 598.652 5.069 40 10 KKCBRN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@@H]1c1ccccc1O ZINC000097949098 553799399 /nfs/dbraw/zinc/79/93/99/553799399.db2.gz UVGVNOKGZAIIPL-AREMUKBSSA-N 0 0 644.078 8.494 40 10 KKCBRN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Br)s2)C[C@H]1c1cc(Br)ccc1O ZINC000097949288 553801016 /nfs/dbraw/zinc/80/10/16/553801016.db2.gz JJDBMENZTHNGMG-INIZCTEOSA-N 0 0 731.801 8.414 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000097949639 553802607 /nfs/dbraw/zinc/80/26/07/553802607.db2.gz ZZONCBUECLLPHQ-HKBOAZHASA-N 0 0 526.759 5.342 40 10 KKCBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000097950320 553804057 /nfs/dbraw/zinc/80/40/57/553804057.db2.gz UWNISXSIGOHIFQ-PPUCOLBDSA-N 0 0 547.724 8.010 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000026532100 553819133 /nfs/dbraw/zinc/81/91/33/553819133.db2.gz HMNSANQMTRQMCX-KZVADKPXSA-N 0 0 504.681 5.139 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000026580589 553819521 /nfs/dbraw/zinc/81/95/21/553819521.db2.gz ZMSJKACGKNWMQS-STZFKDTASA-N 0 0 508.061 5.271 40 10 KKCBRN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000026641855 553819716 /nfs/dbraw/zinc/81/97/16/553819716.db2.gz GVRMOJDDIXGOGQ-VAXYQBTPSA-N 0 0 510.461 6.056 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4C)c(OCC)c3)C2=N)S1 ZINC000026593444 553819798 /nfs/dbraw/zinc/81/97/98/553819798.db2.gz MZMKORXBPZTEMT-IVWMXWNPSA-N 0 0 527.046 5.924 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000097957740 553847740 /nfs/dbraw/zinc/84/77/40/553847740.db2.gz BWJRKLKRBQJNLK-UCQKPKSFSA-N 0 0 530.498 7.373 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000097958685 553856818 /nfs/dbraw/zinc/85/68/18/553856818.db2.gz NPHYXDASECMQDG-RWLNRBRISA-N 0 0 541.636 6.541 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000032109360 553862881 /nfs/dbraw/zinc/86/28/81/553862881.db2.gz KRQUBFBTNLWKJP-JFOUQRKPSA-N 0 0 519.410 5.407 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=N)S1 ZINC000032109433 553863314 /nfs/dbraw/zinc/86/33/14/553863314.db2.gz JCYCGDSQABNWEG-HXQZTGCISA-N 0 0 500.983 5.876 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000032704165 553873589 /nfs/dbraw/zinc/87/35/89/553873589.db2.gz PLKKTHVRJNJDTF-XQNSMLJCSA-N 0 0 505.426 7.832 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2OC)cc1 ZINC000097961899 553881355 /nfs/dbraw/zinc/88/13/55/553881355.db2.gz PQAUFDFWLKGPMV-BCMCFTJKSA-N 0 0 619.143 6.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097961909 553881643 /nfs/dbraw/zinc/88/16/43/553881643.db2.gz VRKGLXXBTHHKID-VFCFBJKWSA-N 0 0 596.214 8.286 40 10 KKCBRN CCCc1nn2c(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 ZINC000097964287 553896947 /nfs/dbraw/zinc/89/69/47/553896947.db2.gz AKWCDINPPVJWOH-AFTPNZIJSA-N 0 0 555.689 5.725 40 10 KKCBRN N=C1/C(=C/c2ccccc2OCCOc2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000097964317 553897192 /nfs/dbraw/zinc/89/71/92/553897192.db2.gz LNRFMYDQWXEXPJ-SJGWKMJKSA-N 0 0 539.333 5.088 40 10 KKCBRN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964309 553897216 /nfs/dbraw/zinc/89/72/16/553897216.db2.gz SXEUKPYIJAEDDM-QJBIZGQHSA-N 0 0 535.629 5.591 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000097964308 553897220 /nfs/dbraw/zinc/89/72/20/553897220.db2.gz BQJMBJXAJNFPPP-NFIDDJMPSA-N 0 0 524.049 6.513 40 10 KKCBRN N=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000097964347 553897451 /nfs/dbraw/zinc/89/74/51/553897451.db2.gz QMBKHSNSHIAGGE-FKWWRXPXSA-N 0 0 576.534 7.506 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c2ccccc21 ZINC000097964357 553897492 /nfs/dbraw/zinc/89/74/92/553897492.db2.gz UCRNLJWMZRQRAM-AIYQPGTKSA-N 0 0 549.656 6.095 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000097964619 553899565 /nfs/dbraw/zinc/89/95/65/553899565.db2.gz UTCILIYHADFJMJ-NMESBGBPSA-N 0 0 526.387 5.064 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1CCOc1ccc(Cl)cc1C ZINC000097964890 553901586 /nfs/dbraw/zinc/90/15/86/553901586.db2.gz PYXFDFKMRLHUPQ-SFBLSSAZSA-N 0 0 568.102 6.966 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000097964889 553901603 /nfs/dbraw/zinc/90/16/03/553901603.db2.gz PFGLQXCFJFLJDJ-SFBLSSAZSA-N 0 0 568.102 6.966 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)ccc1OCCSc1ccccc1 ZINC000097964941 553901942 /nfs/dbraw/zinc/90/19/42/553901942.db2.gz HVYMSCPWCLEAOL-VKRJAPGXSA-N 0 0 548.715 6.180 40 10 KKCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000097964919 553901959 /nfs/dbraw/zinc/90/19/59/553901959.db2.gz FIFKQUAPKDTJME-VZKFJVGXSA-N 0 0 520.412 5.246 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000097964988 553902170 /nfs/dbraw/zinc/90/21/70/553902170.db2.gz PTRPVCZWLMQGNP-UCQKPKSFSA-N 0 0 554.487 6.781 40 10 KKCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000097972349 553966608 /nfs/dbraw/zinc/96/66/08/553966608.db2.gz WVHVEYIKLDUFNG-YWQXDYITSA-N 0 0 596.691 7.533 40 10 KKCBRN Cc1ccc(Cn2c3nnc(SCC(=O)Nc4ccc(/N=N/c5ccccc5)cc4)n3c3ccccc3c2=O)cc1 ZINC000097979104 553976362 /nfs/dbraw/zinc/97/63/62/553976362.db2.gz DMNAJXBNMMCZNG-JEIPZWNWSA-N 0 0 559.655 6.547 40 10 KKCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000097979478 553979709 /nfs/dbraw/zinc/97/97/09/553979709.db2.gz GUVNABKGGJDWQG-BYYHNAKLSA-N 0 0 560.246 6.489 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979961 553983878 /nfs/dbraw/zinc/98/38/78/553983878.db2.gz XJVWZSUDCMTEDP-UURKNRCPSA-N 0 0 559.179 7.387 40 10 KKCBRN CN(C)c1ccc(C(O)(c2ccc(C(O)(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)s2)c2ccc(N(C)C)cc2)cc1 ZINC000100052783 554195181 /nfs/dbraw/zinc/19/51/81/554195181.db2.gz ONXGOIOSZLQULW-UHFFFAOYSA-N 0 0 620.863 6.581 40 10 KKCBRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100074038 554203139 /nfs/dbraw/zinc/20/31/39/554203139.db2.gz IOMCEDFLKGFPOW-UHFFFAOYSA-N 0 0 532.493 5.495 40 10 KKCBRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100076030 554204268 /nfs/dbraw/zinc/20/42/68/554204268.db2.gz IQHYKDRCTSQPNM-UHFFFAOYSA-N 0 0 532.493 5.495 40 10 KKCBRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000100077874 554205147 /nfs/dbraw/zinc/20/51/47/554205147.db2.gz QBIRSPHQZAOBQZ-UHFFFAOYSA-N 0 0 566.045 5.861 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000100083359 554207825 /nfs/dbraw/zinc/20/78/25/554207825.db2.gz RZJZYXZZQVINKW-UHFFFAOYSA-N 0 0 545.627 5.516 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000100088572 554209994 /nfs/dbraw/zinc/20/99/94/554209994.db2.gz LWXAOYVCCCLYNA-UHFFFAOYSA-N 0 0 546.520 5.804 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)O2)cc1 ZINC000100135458 554226679 /nfs/dbraw/zinc/22/66/79/554226679.db2.gz FCLVGKCVWRDEOC-RGVLZGJSSA-N 0 0 526.224 7.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000100141387 554228000 /nfs/dbraw/zinc/22/80/00/554228000.db2.gz BNZSQOYOYFJLSV-CEUNXORHSA-N 0 0 539.678 7.781 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000100182567 554242079 /nfs/dbraw/zinc/24/20/79/554242079.db2.gz MGIWIEMHTBIMFH-KOEQRZSOSA-N 0 0 599.481 7.292 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000100185549 554242549 /nfs/dbraw/zinc/24/25/49/554242549.db2.gz MOPHXMJVNVRHCC-KEQCBNTKSA-N 0 0 566.510 5.513 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000100211883 554249226 /nfs/dbraw/zinc/24/92/26/554249226.db2.gz UEQCPLUWBPXEIO-COEJQBHMSA-N 0 0 577.706 6.636 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100217396 554250908 /nfs/dbraw/zinc/25/09/08/554250908.db2.gz VBHMJXIMWPFSCG-USDTVRPUSA-N 0 0 590.145 5.646 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100228086 554254089 /nfs/dbraw/zinc/25/40/89/554254089.db2.gz OLUUCADLFFFVGQ-YDZHTSKRSA-N 0 0 533.568 7.228 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000100227868 554254115 /nfs/dbraw/zinc/25/41/15/554254115.db2.gz XQXQJFRVNVSNIS-IMRQLAEWSA-N 0 0 554.002 7.060 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100231503 554256903 /nfs/dbraw/zinc/25/69/03/554256903.db2.gz YEJLDYPPTMSIKH-PKAZHMFMSA-N 0 0 590.564 7.981 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100231347 554256918 /nfs/dbraw/zinc/25/69/18/554256918.db2.gz KFBWSZVIWQBINW-HYARGMPZSA-N 0 0 560.922 7.486 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000100241585 554260498 /nfs/dbraw/zinc/26/04/98/554260498.db2.gz GECZIOMBSZUADS-HZHRSRAPSA-N 0 0 603.503 6.683 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C(C(=O)OC)=C2C)cc1 ZINC000100241748 554260709 /nfs/dbraw/zinc/26/07/09/554260709.db2.gz MKYOUKBQOWPXDP-ONUIUJJFSA-N 0 0 530.552 5.119 40 10 KKCBRN Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2)c1 ZINC000100266628 554267136 /nfs/dbraw/zinc/26/71/36/554267136.db2.gz VWWHDZWZRQOWJL-VINXDOLDSA-N 0 0 559.091 6.897 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000100267883 554268009 /nfs/dbraw/zinc/26/80/09/554268009.db2.gz RAMLXTBQLGDJFH-JWOXPMACSA-N 0 0 557.470 5.581 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000100267955 554268021 /nfs/dbraw/zinc/26/80/21/554268021.db2.gz XVSVATGPVCAREI-RECBSZQHSA-N 0 0 545.434 5.841 40 10 KKCBRN COc1cccc(OCCOc2ccc(Br)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 ZINC000100270845 554269664 /nfs/dbraw/zinc/26/96/64/554269664.db2.gz RSMTWBPTJNSANT-LFVJCYFKSA-N 0 0 507.384 5.722 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100272713 554270352 /nfs/dbraw/zinc/27/03/52/554270352.db2.gz WNRQBSVYCQHZND-CGVBMLBPSA-N 0 0 557.588 5.037 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000100273067 554270639 /nfs/dbraw/zinc/27/06/39/554270639.db2.gz LYSNPDPLBCIBRS-AKIJCXEUSA-N 0 0 538.935 5.378 40 10 KKCBRN COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)cc1 ZINC000100273022 554270661 /nfs/dbraw/zinc/27/06/61/554270661.db2.gz UKTDNWHPVLPSLL-XMOAORJKSA-N 0 0 529.018 5.090 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000100273096 554270691 /nfs/dbraw/zinc/27/06/91/554270691.db2.gz CGVWIOCCTUHFFJ-UHFFFAOYSA-N 0 0 563.635 5.461 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000039556252 554279618 /nfs/dbraw/zinc/27/96/18/554279618.db2.gz GSUMUMGYFQQKQZ-ZVHZXABRSA-N 0 0 518.386 5.993 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000039556259 554279713 /nfs/dbraw/zinc/27/97/13/554279713.db2.gz ZLHNQQGZGVAGLM-MFKUBSTISA-N 0 0 512.997 5.491 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000040006328 554282183 /nfs/dbraw/zinc/28/21/83/554282183.db2.gz XXRVOKSCTQLJEM-UUYOSTAYSA-N 0 0 508.492 7.115 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000040006365 554282199 /nfs/dbraw/zinc/28/21/99/554282199.db2.gz WBVMRVUFIOBJMB-SOFYTKRASA-N 0 0 510.464 5.961 40 10 KKCBRN COc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2)cc1 ZINC000041108090 554295237 /nfs/dbraw/zinc/29/52/37/554295237.db2.gz DRBDLXBLRGCDNF-MBTLPQJVSA-N 0 0 512.591 5.129 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1O ZINC000100319641 554304227 /nfs/dbraw/zinc/30/42/27/554304227.db2.gz XWOQKVXYJWKHIZ-HYARGMPZSA-N 0 0 557.400 6.208 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100320023 554304496 /nfs/dbraw/zinc/30/44/96/554304496.db2.gz VZUSCIHPJBPOOJ-RGVLZGJSSA-N 0 0 558.799 6.822 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100324853 554309204 /nfs/dbraw/zinc/30/92/04/554309204.db2.gz NKLZFXXLHPBSQD-JVWAILMASA-N 0 0 590.564 8.213 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cnc3ccccc3c2)cc1 ZINC000100329740 554311889 /nfs/dbraw/zinc/31/18/89/554311889.db2.gz MLNIHXZHPHKVCV-HKBQPEDESA-N 0 0 609.134 5.441 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)O2)cc1 ZINC000100340930 554325466 /nfs/dbraw/zinc/32/54/66/554325466.db2.gz XLYNVPQBBPLLPC-OEAKJJBVSA-N 0 0 590.413 7.022 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367371 554353868 /nfs/dbraw/zinc/35/38/68/554353868.db2.gz KMMYIHCFUQXFSH-NHDPSOOVSA-N 0 0 517.028 7.253 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000100381355 554363546 /nfs/dbraw/zinc/36/35/46/554363546.db2.gz FOXPUKRXZIVSOF-UHFFFAOYSA-N 0 0 523.456 6.230 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5c(Br)cccc45)ccc3o2)cc1 ZINC000100382756 554363750 /nfs/dbraw/zinc/36/37/50/554363750.db2.gz DLLLVSUWLNNONB-UHFFFAOYSA-N 0 0 573.516 7.384 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)ccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000058822232 554365358 /nfs/dbraw/zinc/36/53/58/554365358.db2.gz IYUWKXNAKZWQMA-XSFVSMFZSA-N 0 0 506.487 6.035 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000058822208 554365413 /nfs/dbraw/zinc/36/54/13/554365413.db2.gz CTUSEEOJROHAJS-HYARGMPZSA-N 0 0 500.016 6.863 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846040 554366043 /nfs/dbraw/zinc/36/60/43/554366043.db2.gz VHBLCBSKONNBEO-CTVOUCONSA-N 0 0 504.652 6.420 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c(C)c1 ZINC000058846220 554366120 /nfs/dbraw/zinc/36/61/20/554366120.db2.gz FEUVNJDEWRNSOI-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1C ZINC000058846529 554366381 /nfs/dbraw/zinc/36/63/81/554366381.db2.gz VPZPMPZOKTYIOL-PPJWLVRDSA-N 0 0 509.469 6.693 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058846908 554366531 /nfs/dbraw/zinc/36/65/31/554366531.db2.gz ZKJKXCMHMZRDMU-FVXXUCQHSA-N 0 0 513.062 7.634 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000100390866 554366712 /nfs/dbraw/zinc/36/67/12/554366712.db2.gz OPUBUXUHTVFHGL-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847239 554366680 /nfs/dbraw/zinc/36/66/80/554366680.db2.gz NYHXHBLQPOFWNR-DXMSMQRWSA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058846914 554366782 /nfs/dbraw/zinc/36/67/82/554366782.db2.gz NMTIJQJHWBQTPK-PVTPYKNESA-N 0 0 513.062 7.634 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847391 554366800 /nfs/dbraw/zinc/36/68/00/554366800.db2.gz WNUDQDQRCUXFMM-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847330 554366813 /nfs/dbraw/zinc/36/68/13/554366813.db2.gz BRJGNCDBVQGGJO-YYULODDRSA-N 0 0 511.987 5.884 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847657 554367000 /nfs/dbraw/zinc/36/70/00/554367000.db2.gz MLGAMJAXFJOQGC-HOOSLVGPSA-N 0 0 505.854 7.274 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847777 554367014 /nfs/dbraw/zinc/36/70/14/554367014.db2.gz VXWLNGRJOJAZRE-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847790 554367028 /nfs/dbraw/zinc/36/70/28/554367028.db2.gz UISVJQQQKKYCAG-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847798 554367098 /nfs/dbraw/zinc/36/70/98/554367098.db2.gz NGNBWOSIOPYNPC-YYULODDRSA-N 0 0 515.418 6.349 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847870 554367248 /nfs/dbraw/zinc/36/72/48/554367248.db2.gz FCHFLEWXSNAUHC-WZOHSFFVSA-N 0 0 515.418 6.349 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847845 554367404 /nfs/dbraw/zinc/36/74/04/554367404.db2.gz HODOKWHTXOUNDQ-YZUZCNPQSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848156 554367415 /nfs/dbraw/zinc/36/74/15/554367415.db2.gz MIJLFTPPHZTKEO-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058848353 554367769 /nfs/dbraw/zinc/36/77/69/554367769.db2.gz VQKKVRMPWLFNLS-DFIYOIEZSA-N 0 0 511.441 6.085 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000058848729 554368413 /nfs/dbraw/zinc/36/84/13/554368413.db2.gz UVMBIPKHSJEBBH-DFIYOIEZSA-N 0 0 501.435 6.629 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058849209 554368740 /nfs/dbraw/zinc/36/87/40/554368740.db2.gz JUQGAHDXECCYOK-PVTPYKNESA-N 0 0 512.606 7.245 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c(OC)c1 ZINC000058849324 554368767 /nfs/dbraw/zinc/36/87/67/554368767.db2.gz OFDFSEHUWXHFAM-CTVOUCONSA-N 0 0 520.651 6.118 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c(OC)c1 ZINC000058849285 554368810 /nfs/dbraw/zinc/36/88/10/554368810.db2.gz SFTYBPJDVGBZHJ-BALWLHIASA-N 0 0 522.623 5.348 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000058849794 554369494 /nfs/dbraw/zinc/36/94/94/554369494.db2.gz DCRFGXZDUCFXRG-VKIDHGPPSA-N 0 0 506.624 5.648 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850343 554369787 /nfs/dbraw/zinc/36/97/87/554369787.db2.gz LWNUCSPGMBQUIO-GTNJKRJXSA-N 0 0 505.014 7.260 40 10 KKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cc5c(cc3Br)OCO5)N4)sc2c1 ZINC000058851222 554369845 /nfs/dbraw/zinc/36/98/45/554369845.db2.gz DHJWXVMRWXGYHR-KRXBEKAOSA-N 0 0 517.448 7.589 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000100410329 554374948 /nfs/dbraw/zinc/37/49/48/554374948.db2.gz GYYAZQQXSBIXNT-CIAFOILYSA-N 0 0 593.337 7.331 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000100415221 554380897 /nfs/dbraw/zinc/38/08/97/554380897.db2.gz REMNUTUTHCRYID-NJYVYQBISA-N 0 0 526.759 5.342 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)C1=C(NCCNC(=C1C(C)=NN(c2ccccc2)C1=O)c1ccccc1)c1ccccc1 ZINC000059145239 554383608 /nfs/dbraw/zinc/38/36/08/554383608.db2.gz DCNCTIPYCUCUGE-WANSBIPISA-N 0 0 580.692 5.834 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100416669 554384487 /nfs/dbraw/zinc/38/44/87/554384487.db2.gz LYLVDEMZOFKAJX-DSITVLBTSA-N 0 0 507.929 5.188 40 10 KKCBRN O=C1C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059249746 554387120 /nfs/dbraw/zinc/38/71/20/554387120.db2.gz JFHGFNVEUJBVIL-UHFFFAOYSA-N 0 0 512.363 5.823 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)c(C)ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1 ZINC000059437037 554395833 /nfs/dbraw/zinc/39/58/33/554395833.db2.gz IUZWUFARHREQTA-IWHLBADBSA-N 0 0 504.468 7.788 40 10 KKCBRN Cc1cc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)ccc1Cl ZINC000100476222 554400875 /nfs/dbraw/zinc/40/08/75/554400875.db2.gz GDXJUTXJDULEIE-BHIFYINESA-N 0 0 550.792 5.106 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000100477938 554401158 /nfs/dbraw/zinc/40/11/58/554401158.db2.gz OFWIOJKDVAKCDL-CIAFOILYSA-N 0 0 545.411 6.481 40 10 KKCBRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Sc2nc3ccccc3s2)c1)c1ccccc1 ZINC000100498676 554404966 /nfs/dbraw/zinc/40/49/66/554404966.db2.gz UGTPJWQRKWKNPJ-UHFFFAOYSA-N 0 0 553.712 6.049 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)SC2=S)cc1 ZINC000059608974 554411853 /nfs/dbraw/zinc/41/18/53/554411853.db2.gz LXSBUAKGMVGRHF-QRVIBDJDSA-N 0 0 527.023 6.237 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)SC2=S)cc1 ZINC000059608968 554411874 /nfs/dbraw/zinc/41/18/74/554411874.db2.gz SQHGIABMIUVDAY-OYKKKHCWSA-N 0 0 540.504 6.747 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)SC2=S)cc1 ZINC000059609096 554412218 /nfs/dbraw/zinc/41/22/18/554412218.db2.gz NMNPZEGRSUSTER-FMCGGJTJSA-N 0 0 534.917 7.936 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000059678131 554424110 /nfs/dbraw/zinc/42/41/10/554424110.db2.gz WLROCMJNTCDTQL-USDTVRPUSA-N 0 0 525.649 5.010 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1SC(=S)N(N=c2[nH]c3ccccc3s2)C1=O ZINC000059690575 554424296 /nfs/dbraw/zinc/42/42/96/554424296.db2.gz IEXZMBSSVRKBJL-XKZIYDEJSA-N 0 0 611.568 6.613 40 10 KKCBRN O=C(CSc1nnc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccccc1)NN1C(=O)CSC1=S ZINC000059690617 554424629 /nfs/dbraw/zinc/42/46/29/554424629.db2.gz ZAKAVHGAAHIIPU-UHFFFAOYSA-N 0 0 615.593 5.892 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000059690667 554424672 /nfs/dbraw/zinc/42/46/72/554424672.db2.gz ZHKAOJLBWHEOAW-IBNIFWCESA-N 0 0 599.565 6.297 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1 ZINC000059884125 554461772 /nfs/dbraw/zinc/46/17/72/554461772.db2.gz FRUBRCSMNJXZEI-UHFFFAOYSA-N 0 0 590.145 6.015 40 10 KKCBRN Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000100764554 554469433 /nfs/dbraw/zinc/46/94/33/554469433.db2.gz CYBIQMKSMXONQP-BHIFYINESA-N 0 0 539.893 5.362 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000100958748 554541727 /nfs/dbraw/zinc/54/17/27/554541727.db2.gz YKDFXRYUJFTJFL-PEPUGYCWSA-N 0 0 613.780 5.620 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000100967538 554543394 /nfs/dbraw/zinc/54/33/94/554543394.db2.gz FMXPZYBSPKOUKA-CFRMEGHHSA-N 0 0 546.497 6.991 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000101002051 554552530 /nfs/dbraw/zinc/55/25/30/554552530.db2.gz DVSAHLYHJOQMSH-SXGWCWSVSA-N 0 0 549.821 6.351 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000101002072 554552551 /nfs/dbraw/zinc/55/25/51/554552551.db2.gz WAEXYNWKAKOIQP-APSNUPSMSA-N 0 0 550.714 6.639 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)sc2c1CCCC2 ZINC000101001779 554552558 /nfs/dbraw/zinc/55/25/58/554552558.db2.gz UWFUAXMQVFDUDV-XMHGGMMESA-N 0 0 530.693 5.042 40 10 KKCBRN CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCC[C@@H]3CC)C2=O)SC1=S ZINC000101002468 554552949 /nfs/dbraw/zinc/55/29/49/554552949.db2.gz SJHCQBUUCXLONO-PONTWAKMSA-N 0 0 624.920 5.061 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1OC ZINC000101005572 554553763 /nfs/dbraw/zinc/55/37/63/554553763.db2.gz CNEODDJPSIXYLC-UYRXBGFRSA-N 0 0 521.458 5.086 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000101006116 554553986 /nfs/dbraw/zinc/55/39/86/554553986.db2.gz JFWYLIRNKJXBTO-WSVATBPTSA-N 0 0 529.854 5.996 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000101005842 554553988 /nfs/dbraw/zinc/55/39/88/554553988.db2.gz AARPKCOUVIBBPH-WQRHYEAKSA-N 0 0 542.988 5.766 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)sc2c1CCCC2 ZINC000101005987 554553995 /nfs/dbraw/zinc/55/39/95/554553995.db2.gz MHJJDGKXMWXHTO-HKWRFOASSA-N 0 0 572.730 5.210 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000101006077 554553996 /nfs/dbraw/zinc/55/39/96/554553996.db2.gz IGSOQZOCIQFOGP-PLRJNAJWSA-N 0 0 530.671 5.688 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/c4ccc5c(c4)OCO5)SC3=S)s2)cc1 ZINC000101006184 554554173 /nfs/dbraw/zinc/55/41/73/554554173.db2.gz UHNMSDVFJMKMLE-XKZIYDEJSA-N 0 0 537.688 5.391 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000101006531 554554204 /nfs/dbraw/zinc/55/42/04/554554204.db2.gz TWBIDVGMCDYGHC-KQWNVCNZSA-N 0 0 589.730 7.461 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101006338 554554212 /nfs/dbraw/zinc/55/42/12/554554212.db2.gz RSWALMNEFGHFCV-JCMHNJIXSA-N 0 0 542.151 6.788 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC ZINC000101006811 554554341 /nfs/dbraw/zinc/55/43/41/554554341.db2.gz IIEYAZYCALASCZ-QNGOZBTKSA-N 0 0 549.512 5.867 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)sc2c1CCCC2 ZINC000101006719 554554345 /nfs/dbraw/zinc/55/43/45/554554345.db2.gz SZBWGPRQWVCNHX-XLNRJJMWSA-N 0 0 572.774 6.213 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1OC ZINC000101006871 554554567 /nfs/dbraw/zinc/55/45/67/554554567.db2.gz LHQJTQWMWBJBSP-JLPGSUDCSA-N 0 0 602.203 6.805 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007455 554555466 /nfs/dbraw/zinc/55/54/66/554555466.db2.gz XKHKCUCRDRRCKD-GZTJUZNOSA-N 0 0 523.583 5.576 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101007682 554555676 /nfs/dbraw/zinc/55/56/76/554555676.db2.gz AINQJMNPOMMATE-WYZMFLDLSA-N 0 0 535.115 7.317 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1=O ZINC000101007791 554555901 /nfs/dbraw/zinc/55/59/01/554555901.db2.gz DIGMEVKUWIOBOA-FDSXRJBDSA-N 0 0 533.744 6.609 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101008203 554556310 /nfs/dbraw/zinc/55/63/10/554556310.db2.gz LKXXIEOHDJDZRF-KGENOOAVSA-N 0 0 528.124 6.316 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000101008137 554556340 /nfs/dbraw/zinc/55/63/40/554556340.db2.gz LYKAUBBQSVDNCX-DEDYPNTBSA-N 0 0 547.649 6.291 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000101016920 554560691 /nfs/dbraw/zinc/56/06/91/554560691.db2.gz ODMBYCKARRRVQQ-BUHFOSPRSA-N 0 0 552.338 6.941 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000101071335 554575694 /nfs/dbraw/zinc/57/56/94/554575694.db2.gz RDOFZPVZEPUSQB-TWJOJJKGSA-N 0 0 619.353 7.260 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000101093334 554583579 /nfs/dbraw/zinc/58/35/79/554583579.db2.gz WQCWXXFNDYSYJL-VXLYETTFSA-N 0 0 614.381 6.076 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000101094997 554584246 /nfs/dbraw/zinc/58/42/46/554584246.db2.gz JGGREFJRDLQCFD-ZVHZXABRSA-N 0 0 589.577 6.626 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000101099705 554586407 /nfs/dbraw/zinc/58/64/07/554586407.db2.gz WHWJQSOAXSMADV-FOKLQQMPSA-N 0 0 550.916 7.636 40 10 KKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000101141245 554653458 /nfs/dbraw/zinc/65/34/58/554653458.db2.gz JUQOCXYFWBNACJ-ODBZBXGJSA-N 0 0 548.647 6.063 40 10 KKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000101141372 554653513 /nfs/dbraw/zinc/65/35/13/554653513.db2.gz BDWUXYJOUMTGLR-JTOYJDTJSA-N 0 0 624.745 8.150 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101483296 554785096 /nfs/dbraw/zinc/78/50/96/554785096.db2.gz LYLVDEMZOFKAJX-UBFVSLLYSA-N 0 0 507.929 5.188 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2c2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC000101524249 554794297 /nfs/dbraw/zinc/79/42/97/554794297.db2.gz XILDSGPZGUKAEZ-ONUIUJJFSA-N 0 0 571.555 6.566 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545460 554795906 /nfs/dbraw/zinc/79/59/06/554795906.db2.gz PWNZHMGUKNBWCA-PFBJBMPXSA-N 0 0 544.529 5.686 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000101568086 554797657 /nfs/dbraw/zinc/79/76/57/554797657.db2.gz XHPIGSWEFLWMNN-UKWGHVSLSA-N 0 0 526.905 6.547 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590383 554802477 /nfs/dbraw/zinc/80/24/77/554802477.db2.gz IQUBMTNDOFCZDJ-JFHPUIQFSA-N 0 0 574.032 6.582 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101598138 554803666 /nfs/dbraw/zinc/80/36/66/554803666.db2.gz YHOAXPHTTFNPPQ-ILJQZKEFSA-N 0 0 584.584 5.836 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000101743502 554834290 /nfs/dbraw/zinc/83/42/90/554834290.db2.gz NXYIUSOLOKRFJK-XKZIYDEJSA-N 0 0 545.469 6.127 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000102445693 554930538 /nfs/dbraw/zinc/93/05/38/554930538.db2.gz ONTIVAYIEBQZPE-TYRKEJLSSA-N 0 0 548.686 6.968 40 10 KKCBRN COc1ccc(CC2=NN3C(=NC(=O)/C(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)C3=N)S2)cc1OC ZINC000102464724 554935726 /nfs/dbraw/zinc/93/57/26/554935726.db2.gz ASSGGXNBZVSOJQ-HHUYIJHCSA-N 0 0 596.419 5.496 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OCCSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000102470664 554936318 /nfs/dbraw/zinc/93/63/18/554936318.db2.gz LDYQWPLSQIAJSC-DDRXEVKHSA-N 0 0 593.756 5.220 40 10 KKCBRN N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000102476565 554936838 /nfs/dbraw/zinc/93/68/38/554936838.db2.gz NRLBJJWRQRDFLR-OEGNSFSJSA-N 0 0 516.410 5.275 40 10 KKCBRN COc1cc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000102559169 554966421 /nfs/dbraw/zinc/96/64/21/554966421.db2.gz YGBJCZKRUJLZRA-PKTNWEFCSA-N 0 0 586.084 6.414 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102563181 554968908 /nfs/dbraw/zinc/96/89/08/554968908.db2.gz QWLRAMATASVKNB-PVHODMMVSA-N 0 0 556.058 6.406 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102867056 555096776 /nfs/dbraw/zinc/09/67/76/555096776.db2.gz AWRHBMAARCLNFT-IDZRBWSNSA-N 0 0 564.012 6.804 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102869697 555099422 /nfs/dbraw/zinc/09/94/22/555099422.db2.gz QWFKXRMSQNCQPN-TWJOJJKGSA-N 0 0 564.896 7.695 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102885855 555116112 /nfs/dbraw/zinc/11/61/12/555116112.db2.gz YTNBWOUSBKXNFJ-PKTNWEFCSA-N 0 0 556.058 6.406 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102889501 555123852 /nfs/dbraw/zinc/12/38/52/555123852.db2.gz SVXFRJIUMYZNLH-AYQJTBPPSA-N 0 0 578.039 7.194 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102889964 555124758 /nfs/dbraw/zinc/12/47/58/555124758.db2.gz HYOTWMNXEIRRJI-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103511526 555422263 /nfs/dbraw/zinc/42/22/63/555422263.db2.gz DPNATJNYDNJTBA-AYQJTBPPSA-N 0 0 541.603 6.020 40 10 KKCBRN COc1cccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103524707 555427885 /nfs/dbraw/zinc/42/78/85/555427885.db2.gz AQRVVDAYHJDXDL-UJCZQSIQSA-N 0 0 536.628 5.292 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103525754 555428353 /nfs/dbraw/zinc/42/83/53/555428353.db2.gz JYUMAAKUTBGXFS-PVHODMMVSA-N 0 0 569.629 5.900 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000103534425 555434714 /nfs/dbraw/zinc/43/47/14/555434714.db2.gz PWHHUEUIIXSZFR-MPFGFTFXSA-N 0 0 526.548 5.911 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103539900 555437750 /nfs/dbraw/zinc/43/77/50/555437750.db2.gz DYMQNJXOMCFGCH-NGDRWEMDSA-N 0 0 589.619 6.168 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545075 555440109 /nfs/dbraw/zinc/44/01/09/555440109.db2.gz VJWPAUHYKSNSLW-UJCZQSIQSA-N 0 0 550.611 5.012 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000103546156 555440702 /nfs/dbraw/zinc/44/07/02/555440702.db2.gz UUPMHDPPIYRJFR-IDZRBWSNSA-N 0 0 558.565 6.359 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000103593027 555452681 /nfs/dbraw/zinc/45/26/81/555452681.db2.gz ZVDYOLHQMDZXQR-OZFLQLRCSA-N 0 0 529.453 5.033 40 10 KKCBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000103596431 555453292 /nfs/dbraw/zinc/45/32/92/555453292.db2.gz GDESZBQWKKGNLI-DHZHZOJOSA-N 0 0 555.870 7.664 40 10 KKCBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)o1 ZINC000103605210 555454968 /nfs/dbraw/zinc/45/49/68/555454968.db2.gz QRCQBEOAHPBCIS-NKFJNAIASA-N 0 0 533.591 5.552 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000103748355 555466937 /nfs/dbraw/zinc/46/69/37/555466937.db2.gz WGCOINGPDHDUNA-OVVQPSECSA-N 0 0 554.400 6.771 40 10 KKCBRN CCCOc1c(I)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000103759061 555470879 /nfs/dbraw/zinc/47/08/79/555470879.db2.gz AOVBXLAZKIYFSO-UHFFFAOYSA-N 0 0 610.448 6.289 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000103760367 555471118 /nfs/dbraw/zinc/47/11/18/555471118.db2.gz RTSMBUIYBTYXSX-UHFFFAOYSA-N 0 0 598.462 5.674 40 10 KKCBRN Cn1c(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000103761681 555471658 /nfs/dbraw/zinc/47/16/58/555471658.db2.gz DOZYPQLPROFFEH-UHFFFAOYSA-N 0 0 618.700 6.290 40 10 KKCBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)C1 ZINC000103761623 555471747 /nfs/dbraw/zinc/47/17/47/555471747.db2.gz YCZVACUJNNWAES-QHCPKHFHSA-N 0 0 611.724 5.428 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000103785272 555477485 /nfs/dbraw/zinc/47/74/85/555477485.db2.gz OVFDPRHOEVBBAS-YWEMJKAQSA-N 0 0 586.761 6.405 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103789212 555479115 /nfs/dbraw/zinc/47/91/15/555479115.db2.gz ZPKXYBFYARVFBD-DLBLZJNESA-N 0 0 586.035 5.402 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789919 555479609 /nfs/dbraw/zinc/47/96/09/555479609.db2.gz KCVCTIGKBCCPRG-USDTVRPUSA-N 0 0 618.597 6.092 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000103790678 555480305 /nfs/dbraw/zinc/48/03/05/555480305.db2.gz IBLKXIRBDRUFLA-PQRKSKNISA-N 0 0 536.657 5.073 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103791115 555480830 /nfs/dbraw/zinc/48/08/30/555480830.db2.gz UAZPDJOGRPNECD-MZXXKLLWSA-N 0 0 619.790 7.402 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103793509 555481486 /nfs/dbraw/zinc/48/14/86/555481486.db2.gz PRELYGRDVRADPL-UHFFFAOYSA-N 0 0 595.927 7.595 40 10 KKCBRN CC[C@H](C)N1N=CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)[C@@H]1O ZINC000169306514 562853549 /nfs/dbraw/zinc/85/35/49/562853549.db2.gz KHDVLIXZARJRJG-RLZCFPGSSA-N 0 0 707.663 5.399 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000103854841 571365901 /nfs/dbraw/zinc/36/59/01/571365901.db2.gz MDVYNJOOXNTSJN-MTDXEUNCSA-N 0 0 584.470 6.444 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000103855211 571366042 /nfs/dbraw/zinc/36/60/42/571366042.db2.gz MBDSRBAWXFYFMB-PPOKSSTKSA-N 0 0 616.117 8.218 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000103857252 571366395 /nfs/dbraw/zinc/36/63/95/571366395.db2.gz MELQKOVKHSZTLT-UHFFFAOYSA-N 0 0 539.451 5.179 40 10 KKCBRN O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103869291 571368064 /nfs/dbraw/zinc/36/80/64/571368064.db2.gz LUKCXIKMDHCVIE-CXUHLZMHSA-N 0 0 554.274 6.331 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103869078 571368088 /nfs/dbraw/zinc/36/80/88/571368088.db2.gz UBTVJSROAKNMQT-CXUHLZMHSA-N 0 0 582.657 6.276 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCSc2ccc(Cl)cc2)cc1 ZINC000103921675 571369849 /nfs/dbraw/zinc/36/98/49/571369849.db2.gz DYPMHTXIXOXNOU-ULJHMMPZSA-N 0 0 535.094 6.365 40 10 KKCBRN Cc1ccc(/N=N\C2=C3Sc4ccccc4N=C2N(c2ccc(Br)cc2)C(=S)N3c2ccc(Cl)cc2)cc1 ZINC000104238531 571377711 /nfs/dbraw/zinc/37/77/11/571377711.db2.gz SIUJXRSXAXTONC-YHZPTAEISA-N 0 0 616.997 9.811 40 10 KKCBRN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000104421606 571381010 /nfs/dbraw/zinc/38/10/10/571381010.db2.gz MDEUMOYZCDPAAQ-WNSROMTISA-N 0 0 561.657 7.764 40 10 KKCBRN O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646548 571381876 /nfs/dbraw/zinc/38/18/76/571381876.db2.gz HHTBOTQPNBGLOQ-ATLLOTDBSA-N 0 0 543.414 5.944 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646267 571381940 /nfs/dbraw/zinc/38/19/40/571381940.db2.gz GTFKCTQRTLJEHT-NPLMNSEMSA-N 0 0 522.670 7.380 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646180 571381972 /nfs/dbraw/zinc/38/19/72/571381972.db2.gz JJBRIIYNNMDJQS-JWZKTCGFSA-N 0 0 553.522 7.208 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104646368 571381974 /nfs/dbraw/zinc/38/19/74/571381974.db2.gz NDDMZFPGQLDYJG-BHZGVWCHSA-N 0 0 566.723 7.778 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104646118 571382009 /nfs/dbraw/zinc/38/20/09/571382009.db2.gz QWJZIGOKMWZDFH-VKIDHGPPSA-N 0 0 553.478 6.422 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104646938 571382048 /nfs/dbraw/zinc/38/20/48/571382048.db2.gz RYPDXRXBCADHJW-QLODZENZSA-N 0 0 531.461 6.638 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104647135 571382074 /nfs/dbraw/zinc/38/20/74/571382074.db2.gz GQTSGKDWOPXOQK-SRGWNRLKSA-N 0 0 516.406 6.529 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647155 571382086 /nfs/dbraw/zinc/38/20/86/571382086.db2.gz UECLMTGOKIAICK-GNBJCERTSA-N 0 0 561.487 6.647 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104646869 571382115 /nfs/dbraw/zinc/38/21/15/571382115.db2.gz NZCCZKHRVPXEPB-VMPBMTGNSA-N 0 0 540.299 7.928 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647547 571382145 /nfs/dbraw/zinc/38/21/45/571382145.db2.gz ZRWKPKOXWVGEDL-WZOHSFFVSA-N 0 0 529.887 7.038 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647510 571382180 /nfs/dbraw/zinc/38/21/80/571382180.db2.gz RJZZEEFKTBCVPG-SXDGJLEOSA-N 0 0 559.515 7.418 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647232 571382241 /nfs/dbraw/zinc/38/22/41/571382241.db2.gz YBHOFOBRWCCXPA-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648033 571382255 /nfs/dbraw/zinc/38/22/55/571382255.db2.gz OMECNBWVMCUGSU-RHGYRFJNSA-N 0 0 550.305 7.383 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1Cl ZINC000104647890 571382274 /nfs/dbraw/zinc/38/22/74/571382274.db2.gz LPLLCTOKVNAWJC-CEYNDMKZSA-N 0 0 530.433 6.837 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647782 571382292 /nfs/dbraw/zinc/38/22/92/571382292.db2.gz ICQUCJVXRHWBME-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647745 571382325 /nfs/dbraw/zinc/38/23/25/571382325.db2.gz PTCPWKRZXUAYIQ-YUXUKGBOSA-N 0 0 602.112 7.763 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647650 571382388 /nfs/dbraw/zinc/38/23/88/571382388.db2.gz HTKMLCJMOQJCJZ-OSWQYVSFSA-N 0 0 519.881 7.583 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648046 571382485 /nfs/dbraw/zinc/38/24/85/571382485.db2.gz UEPPLQGFEQYCRP-PPJWLVRDSA-N 0 0 525.468 6.475 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648097 571382503 /nfs/dbraw/zinc/38/25/03/571382503.db2.gz NLJAAQPDLYXNOC-GLDPYIMESA-N 0 0 526.412 5.985 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648466 571382613 /nfs/dbraw/zinc/38/26/13/571382613.db2.gz OCPMGHRUVSFEAD-GLDPYIMESA-N 0 0 538.513 7.352 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648721 571382668 /nfs/dbraw/zinc/38/26/68/571382668.db2.gz ZTRWBAKYNOIKAE-GNBJCERTSA-N 0 0 595.039 7.012 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648455 571382676 /nfs/dbraw/zinc/38/26/76/571382676.db2.gz MKCZEKNYIQGDCE-SGIRGMQISA-N 0 0 528.552 6.119 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648709 571382692 /nfs/dbraw/zinc/38/26/92/571382692.db2.gz FPYJBDQHVUKGAL-XLNZFTOWSA-N 0 0 549.958 6.894 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104648820 571382769 /nfs/dbraw/zinc/38/27/69/571382769.db2.gz HWMYPSGYCQMXSN-NPLMNSEMSA-N 0 0 583.666 6.810 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104649263 571382777 /nfs/dbraw/zinc/38/27/77/571382777.db2.gz LMZNHDJPWJXFJH-BBANNHEPSA-N 0 0 563.506 8.413 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104649225 571382813 /nfs/dbraw/zinc/38/28/13/571382813.db2.gz QPKNQBWLGVAUKI-NHWZYIIXSA-N 0 0 563.506 8.413 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1 ZINC000104648889 571382846 /nfs/dbraw/zinc/38/28/46/571382846.db2.gz SXSJSTDQLHWNSV-XXAUWVGASA-N 0 0 555.494 6.484 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1OC ZINC000104649732 571383050 /nfs/dbraw/zinc/38/30/50/571383050.db2.gz RXVJJXGXAVSNFO-WNGDZKDKSA-N 0 0 585.476 5.822 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649923 571383132 /nfs/dbraw/zinc/38/31/32/571383132.db2.gz SLODUBVJUCOMCG-LZCXECNNSA-N 0 0 525.468 6.393 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000104649949 571383139 /nfs/dbraw/zinc/38/31/39/571383139.db2.gz KRMMTLCHNIWNOU-BALWLHIASA-N 0 0 536.650 5.657 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104650169 571383171 /nfs/dbraw/zinc/38/31/71/571383171.db2.gz YWJCWWGMEAZUMM-ATLLOTDBSA-N 0 0 570.421 5.713 40 10 KKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(OCc5ccc(Cl)cc5)cc3)N4)sc2c1 ZINC000104650933 571383331 /nfs/dbraw/zinc/38/33/31/571383331.db2.gz LMGRYGYPZBOKCG-CUJVHAHTSA-N 0 0 535.112 9.331 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650611 571383332 /nfs/dbraw/zinc/38/33/32/571383332.db2.gz YLRGUDQAOJADHB-ANSQWYIGSA-N 0 0 525.468 6.393 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000104650632 571383338 /nfs/dbraw/zinc/38/33/38/571383338.db2.gz STBLGGSZFPUANJ-GLDPYIMESA-N 0 0 526.412 5.985 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657301 571384322 /nfs/dbraw/zinc/38/43/22/571384322.db2.gz MVKMYVNGBXYZSX-GSTVVXAASA-N 0 0 622.588 6.497 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658391 571384525 /nfs/dbraw/zinc/38/45/25/571384525.db2.gz GUUBBKXCTLFWJJ-ZPMAPHDVSA-N 0 0 608.163 6.397 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc([N+](=O)[O-])cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658401 571384548 /nfs/dbraw/zinc/38/45/48/571384548.db2.gz MZVSJTCZRRZWQI-ZPMAPHDVSA-N 0 0 618.715 5.652 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658396 571384573 /nfs/dbraw/zinc/38/45/73/571384573.db2.gz GUUBBKXCTLFWJJ-UDHMSBBDSA-N 0 0 608.163 6.397 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000104660841 571384987 /nfs/dbraw/zinc/38/49/87/571384987.db2.gz RIERXGNUDSZALE-UHFFFAOYSA-N 0 0 616.189 5.229 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000104677107 571385326 /nfs/dbraw/zinc/38/53/26/571385326.db2.gz RJQDGCCZNKPWCS-HVDVVURSSA-N 0 0 612.752 6.018 40 10 KKCBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)COc3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000105513187 571406946 /nfs/dbraw/zinc/40/69/46/571406946.db2.gz PPKJGISCEXOTIL-UHFFFAOYSA-N 0 0 605.759 6.429 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000105516195 571407104 /nfs/dbraw/zinc/40/71/04/571407104.db2.gz UHNGONMAHWHSNJ-XGLZOBASSA-N 0 0 596.536 5.521 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106692921 571414040 /nfs/dbraw/zinc/41/40/40/571414040.db2.gz YYKOBHGRTYAVFN-YSMPRRRNSA-N 0 0 534.613 6.368 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)C(=O)N1Cc1ccccc1F ZINC000106696352 571414211 /nfs/dbraw/zinc/41/42/11/571414211.db2.gz DYTMEXXGJLDIGI-WIPZAPBKSA-N 0 0 502.354 7.490 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106714068 571415400 /nfs/dbraw/zinc/41/54/00/571415400.db2.gz NRBLYGVMNDYPJI-JJFYIABZSA-N 0 0 550.305 7.708 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106721158 571415794 /nfs/dbraw/zinc/41/57/94/571415794.db2.gz VSDGTHLBXZZKLO-FBHDLOMBSA-N 0 0 525.379 7.656 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000106732270 571416517 /nfs/dbraw/zinc/41/65/17/571416517.db2.gz ZKPUDGPAUPJFST-UUYOSTAYSA-N 0 0 526.412 6.310 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106764083 571418050 /nfs/dbraw/zinc/41/80/50/571418050.db2.gz HNIIYAAYPLVVHH-USHMODERSA-N 0 0 571.680 7.269 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106764753 571418107 /nfs/dbraw/zinc/41/81/07/571418107.db2.gz CFHBUPFVXVIYDW-ONUIUJJFSA-N 0 0 582.520 5.809 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000108016569 571421936 /nfs/dbraw/zinc/42/19/36/571421936.db2.gz MXGGERSXFDHXHT-UHFFFAOYSA-N 0 0 569.082 7.066 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccccc1I ZINC000109930713 571430211 /nfs/dbraw/zinc/43/02/11/571430211.db2.gz LYPUBXHJCNKPMQ-ZHZULCJRSA-N 0 0 549.455 6.044 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223102918 571431489 /nfs/dbraw/zinc/43/14/89/571431489.db2.gz ACPGPILKFFFSAT-CLJLJLNGSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223103044 571431497 /nfs/dbraw/zinc/43/14/97/571431497.db2.gz ACPGPILKFFFSAT-IZZNHLLZSA-N 0 0 505.644 5.711 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223104449 571431707 /nfs/dbraw/zinc/43/17/07/571431707.db2.gz PGCSAIAVHUVFLX-UIOOFZCWSA-N 0 0 505.644 5.711 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000111671603 571433499 /nfs/dbraw/zinc/43/34/99/571433499.db2.gz JVVLLDPMRGOMJJ-OEAKJJBVSA-N 0 0 520.814 6.511 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000113830426 571442287 /nfs/dbraw/zinc/44/22/87/571442287.db2.gz JUSWMNHIANWDOP-ZSOIEALJSA-N 0 0 585.270 5.438 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830836 571442376 /nfs/dbraw/zinc/44/23/76/571442376.db2.gz FDYCKMPHLVPHBT-CIAFOILYSA-N 0 0 500.960 6.372 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113830884 571442394 /nfs/dbraw/zinc/44/23/94/571442394.db2.gz BFJSBZSFSKHWFN-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000113830682 571442405 /nfs/dbraw/zinc/44/24/05/571442405.db2.gz OYDRTIWBBVWNEX-UHFFFAOYSA-N 0 0 569.082 6.855 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000113830798 571442456 /nfs/dbraw/zinc/44/24/56/571442456.db2.gz SNQBMUHMRQFOGF-YDZHTSKRSA-N 0 0 510.568 6.117 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113833003 571442501 /nfs/dbraw/zinc/44/25/01/571442501.db2.gz MPDJJJQBDZWKEV-UDWIEESQSA-N 0 0 563.034 5.430 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000113833042 571442522 /nfs/dbraw/zinc/44/25/22/571442522.db2.gz XWUWFZYINWPUCC-UHFFFAOYSA-N 0 0 584.675 5.520 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187429 571442530 /nfs/dbraw/zinc/44/25/30/571442530.db2.gz FUPSFVDUCHBEQM-LOYHVIPDSA-N 0 0 546.785 5.030 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113833016 571442575 /nfs/dbraw/zinc/44/25/75/571442575.db2.gz IMMTXCQOJSKZKP-DEDYPNTBSA-N 0 0 563.034 5.430 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833648 571442578 /nfs/dbraw/zinc/44/25/78/571442578.db2.gz DVTUCFIXDYXMAA-FSJBWODESA-N 0 0 561.468 7.285 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188065 571442593 /nfs/dbraw/zinc/44/25/93/571442593.db2.gz JZDWDRBFLMXIRK-IZZNHLLZSA-N 0 0 544.552 5.491 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113833848 571442618 /nfs/dbraw/zinc/44/26/18/571442618.db2.gz CBQSTGBDKJNBSL-YDZHTSKRSA-N 0 0 506.008 6.657 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833473 571442639 /nfs/dbraw/zinc/44/26/39/571442639.db2.gz OKLHOXSLONAWFO-FSJBWODESA-N 0 0 550.916 8.030 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113833905 571442685 /nfs/dbraw/zinc/44/26/85/571442685.db2.gz OUUGIKWVEFPETJ-FSJBWODESA-N 0 0 506.008 6.657 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000113834911 571442713 /nfs/dbraw/zinc/44/27/13/571442713.db2.gz DEKXYEBUARMQOS-FSJBWODESA-N 0 0 506.008 6.657 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000113836764 571442771 /nfs/dbraw/zinc/44/27/71/571442771.db2.gz XIVIHESVWHTHJQ-JVWAILMASA-N 0 0 521.623 7.157 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113838577 571442854 /nfs/dbraw/zinc/44/28/54/571442854.db2.gz VUONUSWCZWEDSV-FOKLQQMPSA-N 0 0 563.453 8.421 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000113838006 571442908 /nfs/dbraw/zinc/44/29/08/571442908.db2.gz XTTPRXJXFKLFPE-FOKLQQMPSA-N 0 0 529.901 8.056 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223290900 571455872 /nfs/dbraw/zinc/45/58/72/571455872.db2.gz GULCLCSHXAUAIJ-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1 ZINC000223309946 571458935 /nfs/dbraw/zinc/45/89/35/571458935.db2.gz LQTIHAIMVIIDEN-TUACAJSNSA-N 0 0 511.489 5.403 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000223327018 571460997 /nfs/dbraw/zinc/46/09/97/571460997.db2.gz QXAPTFFMWNYZLM-UZPCJBMISA-N 0 0 517.626 5.181 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223332832 571461697 /nfs/dbraw/zinc/46/16/97/571461697.db2.gz ZXYHJZKLZXNEQN-NSOVKSMOSA-N 0 0 513.667 5.091 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150353382 571462778 /nfs/dbraw/zinc/46/27/78/571462778.db2.gz WFJYJFYXIJHFRS-UHFFFAOYSA-N 0 0 678.910 7.506 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223341860 571463148 /nfs/dbraw/zinc/46/31/48/571463148.db2.gz CVLVYJQJWPAAPG-UHFFFAOYSA-N 0 0 541.739 5.165 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000223346727 571463777 /nfs/dbraw/zinc/46/37/77/571463777.db2.gz XVZHWLATLWLQAP-RPWUZVMVSA-N 0 0 507.457 6.017 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000223346551 571463800 /nfs/dbraw/zinc/46/38/00/571463800.db2.gz JHWVDUIQBAGBPF-BJKOFHAPSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223351499 571464530 /nfs/dbraw/zinc/46/45/30/571464530.db2.gz IMIWASOKAJELMJ-DQEYMECFSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223352563 571464611 /nfs/dbraw/zinc/46/46/11/571464611.db2.gz IMMWYOBRFLKYDP-JWQCQUIFSA-N 0 0 503.584 5.172 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000150372045 571465965 /nfs/dbraw/zinc/46/59/65/571465965.db2.gz ZVVAZAYYLNXFIG-KEBDBYFISA-N 0 0 613.755 7.989 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000150373747 571466217 /nfs/dbraw/zinc/46/62/17/571466217.db2.gz HGTGYYRIIHXDTH-KEBDBYFISA-N 0 0 613.755 7.989 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223371521 571467023 /nfs/dbraw/zinc/46/70/23/571467023.db2.gz WQDFXCKKHFFNMA-LOYHVIPDSA-N 0 0 523.706 5.498 40 10 KKCBRN Cc1ccc(Nc2ccc(Nc3c(Br)cc(C)cc3Br)c3c2C(=O)c2ccccc2C3=O)c(Br)c1 ZINC000150383731 571467951 /nfs/dbraw/zinc/46/79/51/571467951.db2.gz DYQSJDWGOZORHJ-UHFFFAOYSA-N 0 0 655.184 8.854 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000223385631 571469381 /nfs/dbraw/zinc/46/93/81/571469381.db2.gz GGUSROQZGDSKSB-IZZNHLLZSA-N 0 0 517.496 6.424 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223388036 571469789 /nfs/dbraw/zinc/46/97/89/571469789.db2.gz SXUROBZEZXPAMO-KYJUHHDHSA-N 0 0 509.723 6.508 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223388517 571469885 /nfs/dbraw/zinc/46/98/85/571469885.db2.gz CFUGEUHNSXIRKR-UIOOFZCWSA-N 0 0 507.490 6.969 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223390404 571470200 /nfs/dbraw/zinc/47/02/00/571470200.db2.gz LZQLYROPTGOLMI-SXOMAYOGSA-N 0 0 513.623 5.579 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C ZINC000150388508 571471003 /nfs/dbraw/zinc/47/10/03/571471003.db2.gz LQZFGPJGXVFSTR-FQTRIAMMSA-N 0 0 657.558 8.637 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223415278 571473268 /nfs/dbraw/zinc/47/32/68/571473268.db2.gz PGCNOJACWXVZFR-KAYWLYCHSA-N 0 0 519.070 6.029 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223415231 571473302 /nfs/dbraw/zinc/47/33/02/571473302.db2.gz PGCNOJACWXVZFR-RRPNLBNLSA-N 0 0 519.070 6.029 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223419735 571473843 /nfs/dbraw/zinc/47/38/43/571473843.db2.gz FGDKCLGNKYOUCC-RRPNLBNLSA-N 0 0 536.623 6.689 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223421250 571473986 /nfs/dbraw/zinc/47/39/86/571473986.db2.gz PLPSKKHUWXDOFJ-SVBPBHIXSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223421171 571474068 /nfs/dbraw/zinc/47/40/68/571474068.db2.gz IJWCHPRHNUZILO-KAYWLYCHSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223421399 571474224 /nfs/dbraw/zinc/47/42/24/571474224.db2.gz PLPSKKHUWXDOFJ-KAYWLYCHSA-N 0 0 503.071 6.324 40 10 KKCBRN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(CCNC(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)cc1 ZINC000150392024 571474269 /nfs/dbraw/zinc/47/42/69/571474269.db2.gz SXMPCKMOZTVRES-HONQWNAWSA-N 0 0 814.919 5.935 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223424081 571474499 /nfs/dbraw/zinc/47/44/99/571474499.db2.gz RVPQQAMOGFXDMD-URLMMPGGSA-N 0 0 511.695 5.736 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223427920 571475065 /nfs/dbraw/zinc/47/50/65/571475065.db2.gz QRUCERZVJVECEG-VSGBNLITSA-N 0 0 533.097 6.332 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223428193 571475115 /nfs/dbraw/zinc/47/51/15/571475115.db2.gz MCXLUXOAAFMJSF-VSGBNLITSA-N 0 0 543.649 5.587 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223449478 571478338 /nfs/dbraw/zinc/47/83/38/571478338.db2.gz ZATUVNUDEYHGAY-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405395 571479283 /nfs/dbraw/zinc/47/92/83/571479283.db2.gz IDWOJIMHTRKKLT-LQFQNGICSA-N 0 0 658.704 5.086 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223459038 571479532 /nfs/dbraw/zinc/47/95/32/571479532.db2.gz AUFQKOCNAKKQQA-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223458993 571479654 /nfs/dbraw/zinc/47/96/54/571479654.db2.gz AUFQKOCNAKKQQA-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223464285 571480874 /nfs/dbraw/zinc/48/08/74/571480874.db2.gz LGTVGVBIFAKOGJ-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224133839 571483240 /nfs/dbraw/zinc/48/32/40/571483240.db2.gz RZVXVCQKYSKXCS-WPFUYSAKSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224134075 571483352 /nfs/dbraw/zinc/48/33/52/571483352.db2.gz HWPSJXLURAERAV-DRHZDZKSSA-N 0 0 614.215 7.531 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224134696 571483393 /nfs/dbraw/zinc/48/33/93/571483393.db2.gz VJVGAIGCLLECQZ-ZZBMHTCRSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224135130 571483664 /nfs/dbraw/zinc/48/36/64/571483664.db2.gz IVCDCTNRRCANGH-BXYJHVRESA-N 0 0 618.678 8.764 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224136172 571483770 /nfs/dbraw/zinc/48/37/70/571483770.db2.gz SNKCCSAINRFIQC-LFPITUNASA-N 0 0 585.221 7.505 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223481051 571484196 /nfs/dbraw/zinc/48/41/96/571484196.db2.gz HYQKNIIRADPZHS-UHFFFAOYSA-N 0 0 514.091 5.315 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2c(Br)cc(Br)cc2Br)C1=O ZINC000150414362 571485163 /nfs/dbraw/zinc/48/51/63/571485163.db2.gz LGIYFQQGCNMKOC-PXNMLYILSA-N 0 0 635.197 6.213 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000224148136 571486245 /nfs/dbraw/zinc/48/62/45/571486245.db2.gz DKIWENXQQRHBJV-OBIKLVFUSA-N 0 0 586.205 7.502 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N2CCN(C(=O)CN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O ZINC000150420926 571487315 /nfs/dbraw/zinc/48/73/15/571487315.db2.gz BYLOTNVYSJVUTE-JJMKKCALSA-N 0 0 702.949 5.743 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)SC1=S)Nc1ccc(Br)cc1 ZINC000150420802 571487390 /nfs/dbraw/zinc/48/73/90/571487390.db2.gz QFLVQHHGXQJUSK-QURGRASLSA-N 0 0 742.562 6.281 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000150421115 571487503 /nfs/dbraw/zinc/48/75/03/571487503.db2.gz MBBUMDKHPJFAEC-LFVJCYFKSA-N 0 0 632.454 6.744 40 10 KKCBRN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4cccc(C)c4C)C3=O)SC2=S)c1C ZINC000150421531 571487674 /nfs/dbraw/zinc/48/76/74/571487674.db2.gz ATQDTCLTUZCVES-OCEACIFDSA-N 0 0 640.878 5.990 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223500376 571487782 /nfs/dbraw/zinc/48/77/82/571487782.db2.gz XUNDKGGODPYUGP-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)Nc4ccc(C(C)=O)cc4)C3=O)SC2=S)cc1 ZINC000150422530 571488512 /nfs/dbraw/zinc/48/85/12/571488512.db2.gz FVFDETJTLYBUTP-QVIHXGFCSA-N 0 0 724.952 6.722 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000150423450 571488767 /nfs/dbraw/zinc/48/87/67/571488767.db2.gz KQDCTWQRTMRLRO-TWKHWXDSSA-N 0 0 708.552 8.314 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150424818 571489320 /nfs/dbraw/zinc/48/93/20/571489320.db2.gz OFFMLKQAUJNQGY-STBIYBPSSA-N 0 0 730.442 9.779 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224205842 571496381 /nfs/dbraw/zinc/49/63/81/571496381.db2.gz WGPMPSSNYJKOOS-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224206115 571496523 /nfs/dbraw/zinc/49/65/23/571496523.db2.gz NRCFZNSMDKFPAC-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224207792 571496968 /nfs/dbraw/zinc/49/69/68/571496968.db2.gz XJOIDJPPXAJGNZ-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224207522 571496980 /nfs/dbraw/zinc/49/69/80/571496980.db2.gz DXHDPANVQHPNNK-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208503 571497151 /nfs/dbraw/zinc/49/71/51/571497151.db2.gz CZTTVXXPZUKZKK-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)SC1=S)Nc1nccs1 ZINC000150439879 571497651 /nfs/dbraw/zinc/49/76/51/571497651.db2.gz XDONSXIHHMKVSE-ISLYRVAYSA-N 0 0 654.912 5.230 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(NC(=O)Cn2c(=O)sc3ccccc32)C1=O ZINC000150442714 571499011 /nfs/dbraw/zinc/49/90/11/571499011.db2.gz LTKPLSABSDOMIZ-QRVIBDJDSA-N 0 0 669.604 5.084 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)CC1 ZINC000150444558 571499709 /nfs/dbraw/zinc/49/97/09/571499709.db2.gz WACFSBFJKHHZMS-GAHATOAQSA-N 0 0 837.707 5.355 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)SC1=S)Nc1ccccc1C(F)(F)F ZINC000150451883 571503188 /nfs/dbraw/zinc/50/31/88/571503188.db2.gz HZOPDQFLFAPNSV-QURGRASLSA-N 0 0 720.764 6.794 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224238301 571504071 /nfs/dbraw/zinc/50/40/71/571504071.db2.gz AJIOHEAPURXVLQ-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224238258 571504077 /nfs/dbraw/zinc/50/40/77/571504077.db2.gz AJIOHEAPURXVLQ-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(OC)c2)ccc1N=N[C@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000150454826 571504163 /nfs/dbraw/zinc/50/41/63/571504163.db2.gz WYFHUBCFEZAVLO-OTAVLXFISA-N 0 0 648.720 7.348 40 10 KKCBRN CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000150455957 571504590 /nfs/dbraw/zinc/50/45/90/571504590.db2.gz KSERSZGUFHQSCR-UMSFTDKQSA-N 0 0 666.777 6.984 40 10 KKCBRN CN(C)c1ccc(/C=C/c2ccc3c(c2)OCCOCCOc2ccc(/C=C/c4ccc(N(C)C)cc4)cc2OCCOCCO3)cc1 ZINC000150463322 571506935 /nfs/dbraw/zinc/50/69/35/571506935.db2.gz QAKUEGQGCBIGDD-KQQUZDAGSA-N 0 0 650.816 7.422 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224258080 571508148 /nfs/dbraw/zinc/50/81/48/571508148.db2.gz WYIIOBHPMZONDW-CONSDPRKSA-N 0 0 537.733 6.120 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000223586300 571508185 /nfs/dbraw/zinc/50/81/85/571508185.db2.gz IFVLDMFTSRSFEZ-QETRNLNESA-N 0 0 521.683 6.181 40 10 KKCBRN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000150469913 571509046 /nfs/dbraw/zinc/50/90/46/571509046.db2.gz ARLKASHAHQMMFH-QVIHXGFCSA-N 0 0 696.986 7.550 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S)Nc1cccc(Cl)c1 ZINC000150469965 571509050 /nfs/dbraw/zinc/50/90/50/571509050.db2.gz QHZSULCPENWVFN-OCEACIFDSA-N 0 0 709.768 7.624 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000150470159 571509221 /nfs/dbraw/zinc/50/92/21/571509221.db2.gz VNDRWBQOPPPWIZ-QNEJGDQOSA-N 0 0 835.162 8.411 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)SC1=S)Nc1cccc(Br)c1 ZINC000150470000 571509239 /nfs/dbraw/zinc/50/92/39/571509239.db2.gz OCMCKBBSWQVGFC-OCEACIFDSA-N 0 0 798.670 7.842 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270728 571510675 /nfs/dbraw/zinc/51/06/75/571510675.db2.gz DNIBDQDXNIBNNN-CONSDPRKSA-N 0 0 523.750 7.129 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273520 571511331 /nfs/dbraw/zinc/51/13/31/571511331.db2.gz ONNREWXLTHAISN-NSOVKSMOSA-N 0 0 527.650 6.200 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1 ZINC000224285913 571513531 /nfs/dbraw/zinc/51/35/31/571513531.db2.gz RAWINHJOARJURR-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223617688 571514963 /nfs/dbraw/zinc/51/49/63/571514963.db2.gz MUKNCDUGMABIBH-VLZFXTDASA-N 0 0 509.050 5.680 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150487204 571516615 /nfs/dbraw/zinc/51/66/15/571516615.db2.gz VSTXOHMVLGBTOU-ZBVAGJKESA-N 0 0 647.797 5.977 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1Br ZINC000224301797 571517263 /nfs/dbraw/zinc/51/72/63/571517263.db2.gz SFBFWHNEQRDXJE-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1Br ZINC000224301848 571517346 /nfs/dbraw/zinc/51/73/46/571517346.db2.gz SFBFWHNEQRDXJE-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224306989 571518454 /nfs/dbraw/zinc/51/84/54/571518454.db2.gz RNJQEOXNQGASCD-WUFINQPMSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307609 571518604 /nfs/dbraw/zinc/51/86/04/571518604.db2.gz MQCXRMAPVKHBPL-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223656390 571521654 /nfs/dbraw/zinc/52/16/54/571521654.db2.gz CFPTWTHQFYSOCA-XZOQPEGZSA-N 0 0 503.455 5.332 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150578707 571521706 /nfs/dbraw/zinc/52/17/06/571521706.db2.gz BFPGHEJYQMJQJX-HDFSHUSISA-N 0 0 632.580 5.206 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150580854 571521731 /nfs/dbraw/zinc/52/17/31/571521731.db2.gz LOKQMJSTFWMBRS-GKTLAHRSSA-N 0 0 637.527 8.223 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223678070 571525178 /nfs/dbraw/zinc/52/51/78/571525178.db2.gz YVNLCFCMNVHZQT-XZOQPEGZSA-N 0 0 502.562 5.044 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662099 571527703 /nfs/dbraw/zinc/52/77/03/571527703.db2.gz KBYILHOJMPSPJO-QVFYGUAFSA-N 0 0 678.954 11.182 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224357861 571529176 /nfs/dbraw/zinc/52/91/76/571529176.db2.gz DAUQJXYLVZUWCQ-NSOVKSMOSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000224368235 571531324 /nfs/dbraw/zinc/53/13/24/571531324.db2.gz BLIBYMPWUMVYBL-IZLXSDGUSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000224368328 571531361 /nfs/dbraw/zinc/53/13/61/571531361.db2.gz BLIBYMPWUMVYBL-NSOVKSMOSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224370797 571531867 /nfs/dbraw/zinc/53/18/67/571531867.db2.gz BIWWTMQJOSWUAY-WUFINQPMSA-N 0 0 535.544 8.096 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224370543 571531923 /nfs/dbraw/zinc/53/19/23/571531923.db2.gz UNCCRTPTAYQOFD-VSGBNLITSA-N 0 0 535.544 8.096 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223723827 571533021 /nfs/dbraw/zinc/53/30/21/571533021.db2.gz BVLJDVQMUPBDOZ-RPWUZVMVSA-N 0 0 527.488 5.177 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000163232258 571533808 /nfs/dbraw/zinc/53/38/08/571533808.db2.gz NFKXXTCNGQHCMB-NBQDTTAVSA-N 0 0 671.458 7.251 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1OCc1ccccc1F ZINC000163315671 571535360 /nfs/dbraw/zinc/53/53/60/571535360.db2.gz LUDKOJLNXYSHGX-UHFFFAOYSA-N 0 0 634.179 5.368 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000163459694 571535668 /nfs/dbraw/zinc/53/56/68/571535668.db2.gz QNHIFVBFSQCCSF-HVDVVURSSA-N 0 0 646.651 6.872 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224389901 571536182 /nfs/dbraw/zinc/53/61/82/571536182.db2.gz OHXVMVWENTUSHN-FQLXRVMXSA-N 0 0 527.669 5.642 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163542747 571536533 /nfs/dbraw/zinc/53/65/33/571536533.db2.gz AEBDZSPHYBWQKV-POKSHJSXSA-N 0 0 656.577 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223747996 571537366 /nfs/dbraw/zinc/53/73/66/571537366.db2.gz RTCGVQHIWHJAFR-KYJUHHDHSA-N 0 0 539.705 5.511 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224398624 571537702 /nfs/dbraw/zinc/53/77/02/571537702.db2.gz XENBZVRSCMSXBE-DQEYMECFSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224400462 571537898 /nfs/dbraw/zinc/53/78/98/571537898.db2.gz JIGLAFPKUHFYAU-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000224400258 571537913 /nfs/dbraw/zinc/53/79/13/571537913.db2.gz KZLTXHDQLTXJPM-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224404252 571538808 /nfs/dbraw/zinc/53/88/08/571538808.db2.gz JHMPDWLJLVXHDK-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223758028 571539328 /nfs/dbraw/zinc/53/93/28/571539328.db2.gz BHMMYETZKQCHNA-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223765853 571540479 /nfs/dbraw/zinc/54/04/79/571540479.db2.gz WFNLXXRWMFTOSX-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223766975 571540683 /nfs/dbraw/zinc/54/06/83/571540683.db2.gz QXBQFCGFMFKGIE-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000163705065 571540938 /nfs/dbraw/zinc/54/09/38/571540938.db2.gz YPNNDNFNWQGCPV-VJGNERBWSA-N 0 0 673.313 6.699 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000163704688 571540986 /nfs/dbraw/zinc/54/09/86/571540986.db2.gz JLMCFLGGAJGMNR-QKDODKLFSA-N 0 0 628.862 6.590 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163716841 571541444 /nfs/dbraw/zinc/54/14/44/571541444.db2.gz USPJCYSJGUEFBK-HDFSHUSISA-N 0 0 632.580 5.206 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163719237 571541657 /nfs/dbraw/zinc/54/16/57/571541657.db2.gz UZMGCSSEBYHLOY-QUNTYYFUSA-N 0 0 701.470 6.513 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(COc4ccc(I)cc4I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163721612 571541676 /nfs/dbraw/zinc/54/16/76/571541676.db2.gz FENCPWZCQXYMFU-VPHSIRQSSA-N 0 0 805.476 5.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000163744778 571542554 /nfs/dbraw/zinc/54/25/54/571542554.db2.gz UUKGCHAORHCSOT-FABFSAKGSA-N 0 0 703.602 5.972 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223781472 571543206 /nfs/dbraw/zinc/54/32/06/571543206.db2.gz ZQZJEKPAPIQSGB-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000224431832 571544447 /nfs/dbraw/zinc/54/44/47/571544447.db2.gz ULVDFXOQPLUMDN-DQEYMECFSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000224433916 571544871 /nfs/dbraw/zinc/54/48/71/571544871.db2.gz RQAQSBILOQVAJU-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000224433878 571544906 /nfs/dbraw/zinc/54/49/06/571544906.db2.gz RQAQSBILOQVAJU-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000224435782 571545373 /nfs/dbraw/zinc/54/53/73/571545373.db2.gz IRSBLWNVFUNMFY-DQEYMECFSA-N 0 0 511.453 7.112 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223795929 571545401 /nfs/dbraw/zinc/54/54/01/571545401.db2.gz BQPDRZJCAXKAHY-SVBPBHIXSA-N 0 0 536.623 7.084 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223797587 571545838 /nfs/dbraw/zinc/54/58/38/571545838.db2.gz OXGPMKPXUNLTIH-SXOMAYOGSA-N 0 0 503.071 6.718 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438133 571545935 /nfs/dbraw/zinc/54/59/35/571545935.db2.gz QLCBVNYYAVUGKS-CLJLJLNGSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438318 571545967 /nfs/dbraw/zinc/54/59/67/571545967.db2.gz BCLSWHFZGUQBSR-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223801933 571546659 /nfs/dbraw/zinc/54/66/59/571546659.db2.gz VZCIHNVEZDQWSX-KAYWLYCHSA-N 0 0 537.516 7.372 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224450862 571548997 /nfs/dbraw/zinc/54/89/97/571548997.db2.gz PJMHQUCHPSLLNT-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000164802671 571551105 /nfs/dbraw/zinc/55/11/05/571551105.db2.gz UBUZYGMNCBBEFF-UHFFFAOYSA-N 0 0 702.614 7.942 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000164791160 571551109 /nfs/dbraw/zinc/55/11/09/571551109.db2.gz DKNVIXNABMHUJG-UHFFFAOYSA-N 0 0 672.519 7.387 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164815604 571551252 /nfs/dbraw/zinc/55/12/52/571551252.db2.gz CMYUDONPIVDXDW-UHFFFAOYSA-N 0 0 723.032 8.287 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br ZINC000224465041 571552149 /nfs/dbraw/zinc/55/21/49/571552149.db2.gz ROEMHPCIXYBGIW-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224467147 571552785 /nfs/dbraw/zinc/55/27/85/571552785.db2.gz VDXGERHTLXLNIO-LOSJGSFVSA-N 0 0 527.908 7.626 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224468899 571553145 /nfs/dbraw/zinc/55/31/45/571553145.db2.gz ODKMPZAQJWJQJN-XTEPFMGCSA-N 0 0 501.099 7.245 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224468864 571553180 /nfs/dbraw/zinc/55/31/80/571553180.db2.gz ODKMPZAQJWJQJN-IAPPQJPRSA-N 0 0 501.099 7.245 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000169618114 571554014 /nfs/dbraw/zinc/55/40/14/571554014.db2.gz PAEZAUXQWQKQKJ-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224481644 571556198 /nfs/dbraw/zinc/55/61/98/571556198.db2.gz XLYSVHDZCOEWEI-IZZNHLLZSA-N 0 0 517.054 6.106 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224481855 571556297 /nfs/dbraw/zinc/55/62/97/571556297.db2.gz LXXBCCCLOBSYOC-UIOOFZCWSA-N 0 0 517.054 6.106 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccn1 ZINC000224487750 571558013 /nfs/dbraw/zinc/55/80/13/571558013.db2.gz AMOMBUAJHMLVGW-ZEQRLZLVSA-N 0 0 504.457 5.824 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000169686229 571558309 /nfs/dbraw/zinc/55/83/09/571558309.db2.gz JVJGTRBIYMNBEO-UBFVSLLYSA-N 0 0 507.929 5.188 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000223840312 571559731 /nfs/dbraw/zinc/55/97/31/571559731.db2.gz MVCDUAKMUTUQCT-IZLXSDGUSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224495580 571560059 /nfs/dbraw/zinc/56/00/59/571560059.db2.gz ZEWYHOKPSNLAKN-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl ZINC000224495692 571560068 /nfs/dbraw/zinc/56/00/68/571560068.db2.gz QFNGNMMWFXTXPX-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498631 571560855 /nfs/dbraw/zinc/56/08/55/571560855.db2.gz WMNKYUZASLRJRG-VMPREFPWSA-N 0 0 574.592 7.275 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224499875 571561282 /nfs/dbraw/zinc/56/12/82/571561282.db2.gz ABYGESZIKAPAHT-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224500462 571561328 /nfs/dbraw/zinc/56/13/28/571561328.db2.gz ONLBIOXZAZPZMX-IZZNHLLZSA-N 0 0 547.478 6.157 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502345 571561812 /nfs/dbraw/zinc/56/18/12/571561812.db2.gz VVNQABQGNKQQLQ-IAPPQJPRSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Br ZINC000223858537 571563018 /nfs/dbraw/zinc/56/30/18/571563018.db2.gz OBNGWNAEPXIGEM-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223863504 571563939 /nfs/dbraw/zinc/56/39/39/571563939.db2.gz AOOJBGPWKKATCE-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864795 571564216 /nfs/dbraw/zinc/56/42/16/571564216.db2.gz VPIMVCODNVOXJS-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224532245 571567905 /nfs/dbraw/zinc/56/79/05/571567905.db2.gz FRLWJUNWBMJTIZ-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223884983 571567975 /nfs/dbraw/zinc/56/79/75/571567975.db2.gz OFHROQBJPJCVPW-JSOSNVBQSA-N 0 0 552.748 5.569 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534673 571568626 /nfs/dbraw/zinc/56/86/26/571568626.db2.gz CRVQNCLLEMXMJZ-XZWHSSHBSA-N 0 0 525.722 6.521 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000223895887 571570007 /nfs/dbraw/zinc/57/00/07/571570007.db2.gz ZDFQSPJNFNOIJG-KAYWLYCHSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223896374 571570203 /nfs/dbraw/zinc/57/02/03/571570203.db2.gz VZFWTXGGNLDJMJ-KAYWLYCHSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000205733616 571570529 /nfs/dbraw/zinc/57/05/29/571570529.db2.gz GLQFXQIDGFSBRC-ZVHZXABRSA-N 0 0 551.646 6.141 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223899666 571570900 /nfs/dbraw/zinc/57/09/00/571570900.db2.gz TZVHXNBEDJMABN-SXOMAYOGSA-N 0 0 536.532 7.039 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223901276 571571137 /nfs/dbraw/zinc/57/11/37/571571137.db2.gz RBETXTDARLPFGV-IZLXSDGUSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902382 571571411 /nfs/dbraw/zinc/57/14/11/571571411.db2.gz XLPWVNHFVFNBES-VSGBNLITSA-N 0 0 532.113 6.394 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OCc2ccccc2)c1 ZINC000205808522 571571523 /nfs/dbraw/zinc/57/15/23/571571523.db2.gz PAMAIWZCQYBUQR-KOEQRZSOSA-N 0 0 507.656 5.161 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)c1 ZINC000224551314 571572639 /nfs/dbraw/zinc/57/26/39/571572639.db2.gz JGRPAYLXYHUSAM-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000206293071 571572668 /nfs/dbraw/zinc/57/26/68/571572668.db2.gz BNIUWIFTDIWSKP-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000206909561 571573021 /nfs/dbraw/zinc/57/30/21/571573021.db2.gz DYTXGWZKMAXYGW-HYARGMPZSA-N 0 0 603.947 6.626 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC ZINC000206908263 571573048 /nfs/dbraw/zinc/57/30/48/571573048.db2.gz QTLVFNVQHILMJN-GZTJUZNOSA-N 0 0 541.876 5.446 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000206906223 571573070 /nfs/dbraw/zinc/57/30/70/571573070.db2.gz IGDKUDMCTILWSD-SSDVNMTOSA-N 0 0 579.914 6.781 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000206910689 571573074 /nfs/dbraw/zinc/57/30/74/571573074.db2.gz MLWWEORVCVIAMH-HZHRSRAPSA-N 0 0 525.051 5.864 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208227231 571573497 /nfs/dbraw/zinc/57/34/97/571573497.db2.gz RHUKLTZWKCSCDO-YSUUHWHMSA-N 0 0 542.499 6.155 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208218913 571573499 /nfs/dbraw/zinc/57/34/99/571573499.db2.gz NNFNPBURIWUBRM-OFNOZLENSA-N 0 0 528.472 5.846 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000224556071 571573569 /nfs/dbraw/zinc/57/35/69/571573569.db2.gz FZSSSECGFJIFRO-XZWHSSHBSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000224555839 571573572 /nfs/dbraw/zinc/57/35/72/571573572.db2.gz DGNLJFZVTTVHMG-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208323336 571573804 /nfs/dbraw/zinc/57/38/04/571573804.db2.gz XDZXHVQMODDABN-SUVVMJBMSA-N 0 0 513.501 7.106 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000208391672 571574288 /nfs/dbraw/zinc/57/42/88/571574288.db2.gz PDKPTTCPODRORR-LLXISZFLSA-N 0 0 623.775 6.204 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000208385480 571574359 /nfs/dbraw/zinc/57/43/59/571574359.db2.gz MHVWJEZXLSVTFS-FUAQWRKOSA-N 0 0 619.762 6.606 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1 ZINC000208468692 571574455 /nfs/dbraw/zinc/57/44/55/571574455.db2.gz MBOSNFDIHLHONH-JJFYIABZSA-N 0 0 512.031 5.655 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(Nc4ccc(Br)cc4)=NC3=O)cc21 ZINC000208472317 571574488 /nfs/dbraw/zinc/57/44/88/571574488.db2.gz BWTBMTORLZAPJQ-JMIUGGIZSA-N 0 0 502.865 6.817 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223917212 571575019 /nfs/dbraw/zinc/57/50/19/571575019.db2.gz LUXKQYQMHAJNST-VSGBNLITSA-N 0 0 525.678 5.519 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000208726387 571575092 /nfs/dbraw/zinc/57/50/92/571575092.db2.gz XQNOZRQWQDPRFN-HMAPJEAMSA-N 0 0 528.493 6.801 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000214079547 571577458 /nfs/dbraw/zinc/57/74/58/571577458.db2.gz KPJBMDRBDFLXBP-WGOQTCKBSA-N 0 0 507.055 7.002 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000224572179 571577484 /nfs/dbraw/zinc/57/74/84/571577484.db2.gz CQFGOEVGAOOTSA-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223930351 571577511 /nfs/dbraw/zinc/57/75/11/571577511.db2.gz HNFXMDWLYHJUHT-CZNDPXEESA-N 0 0 559.739 6.656 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000224572461 571577547 /nfs/dbraw/zinc/57/75/47/571577547.db2.gz YDJYODPUELXQGW-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000224572956 571577682 /nfs/dbraw/zinc/57/76/82/571577682.db2.gz NZIIBXGTWSQYFO-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214137933 571577746 /nfs/dbraw/zinc/57/77/46/571577746.db2.gz RMPDXZMQXAIMLK-VULFUBBASA-N 0 0 595.077 6.348 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223932191 571577921 /nfs/dbraw/zinc/57/79/21/571577921.db2.gz LHUOBKIDDGGFMB-VMPREFPWSA-N 0 0 577.676 6.522 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223932577 571578166 /nfs/dbraw/zinc/57/81/66/571578166.db2.gz BJAMXOFRBACHDF-JSOSNVBQSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000223933246 571578233 /nfs/dbraw/zinc/57/82/33/571578233.db2.gz IMYCRYROBTZBMS-FQLXRVMXSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223933714 571578273 /nfs/dbraw/zinc/57/82/73/571578273.db2.gz FJBZOXUMXXFMSW-FQLXRVMXSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223934552 571578467 /nfs/dbraw/zinc/57/84/67/571578467.db2.gz ADCXMTYKPQTPHZ-WDYNHAJCSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223934611 571578478 /nfs/dbraw/zinc/57/84/78/571578478.db2.gz ADCXMTYKPQTPHZ-URLMMPGGSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223939033 571579430 /nfs/dbraw/zinc/57/94/30/571579430.db2.gz ODJDBXKFFMDPPI-XDFJSJKPSA-N 0 0 551.760 6.428 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223938848 571579464 /nfs/dbraw/zinc/57/94/64/571579464.db2.gz QQSZNXSAMRYBSU-KYJUHHDHSA-N 0 0 553.688 5.232 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223939630 571579581 /nfs/dbraw/zinc/57/95/81/571579581.db2.gz REBFDMDIELTQKL-LOYHVIPDSA-N 0 0 584.702 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000223941180 571579936 /nfs/dbraw/zinc/57/99/36/571579936.db2.gz ARPFHQMSMFMUKM-WDYNHAJCSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214804799 571581131 /nfs/dbraw/zinc/58/11/31/571581131.db2.gz VWVZLONUGRDBKD-RPPGKUMJSA-N 0 0 610.390 8.962 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224587562 571581193 /nfs/dbraw/zinc/58/11/93/571581193.db2.gz WLSROMSYGLQKCV-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C ZINC000224587442 571581200 /nfs/dbraw/zinc/58/12/00/571581200.db2.gz ZQJBOZIQUFCKDT-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C ZINC000224587493 571581262 /nfs/dbraw/zinc/58/12/62/571581262.db2.gz ZQJBOZIQUFCKDT-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OCc2ccccc2)c1 ZINC000215006401 571582588 /nfs/dbraw/zinc/58/25/88/571582588.db2.gz ZAFBZOLMDWPXLS-WGOQTCKBSA-N 0 0 517.607 6.257 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000215280834 571584449 /nfs/dbraw/zinc/58/44/49/571584449.db2.gz ARHUGBSHVZZSFT-LGJNPRDNSA-N 0 0 613.067 6.488 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606501 571585208 /nfs/dbraw/zinc/58/52/08/571585208.db2.gz BOIKIONOXIKOQV-LOSJGSFVSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224608362 571585729 /nfs/dbraw/zinc/58/57/29/571585729.db2.gz SUXWEYYZFAWXCR-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223973278 571586637 /nfs/dbraw/zinc/58/66/37/571586637.db2.gz SXSOTQHYRKLLLS-FQLXRVMXSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223974943 571586878 /nfs/dbraw/zinc/58/68/78/571586878.db2.gz LECDYSUDEXAHCB-SVBPBHIXSA-N 0 0 560.521 6.387 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223976318 571587299 /nfs/dbraw/zinc/58/72/99/571587299.db2.gz BZNKFRCQZDRVRZ-VSGBNLITSA-N 0 0 511.651 5.633 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223977322 571587395 /nfs/dbraw/zinc/58/73/95/571587395.db2.gz AYQULMSDNFJAED-VMPREFPWSA-N 0 0 524.694 5.691 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223978146 571587664 /nfs/dbraw/zinc/58/76/64/571587664.db2.gz XQFMGSZFIXPTEV-RRPNLBNLSA-N 0 0 550.515 6.931 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223980008 571587883 /nfs/dbraw/zinc/58/78/83/571587883.db2.gz IUKQQQJPTQWMPG-IZLXSDGUSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224626999 571589982 /nfs/dbraw/zinc/58/99/82/571589982.db2.gz BRDMIZXZZHGLNQ-CONSDPRKSA-N 0 0 584.667 8.477 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000224628045 571590117 /nfs/dbraw/zinc/59/01/17/571590117.db2.gz QCEFGWNWQHHTAT-FIRIVFDPSA-N 0 0 567.158 8.336 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224635958 571591851 /nfs/dbraw/zinc/59/18/51/571591851.db2.gz BSGQGIJDCDSKOZ-FIRIVFDPSA-N 0 0 584.667 8.477 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224636284 571591931 /nfs/dbraw/zinc/59/19/31/571591931.db2.gz CMUCUKKVGKBXQR-LQJZCPKCSA-N 0 0 544.724 8.021 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224636339 571591962 /nfs/dbraw/zinc/59/19/62/571591962.db2.gz KODZNWLNPLSXLD-CZNDPXEESA-N 0 0 544.724 8.021 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000224636678 571591970 /nfs/dbraw/zinc/59/19/70/571591970.db2.gz XBQUAHBEMVJSRR-CONSDPRKSA-N 0 0 534.660 7.598 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223996546 571591963 /nfs/dbraw/zinc/59/19/63/571591963.db2.gz QKEOTLUXZIIZAA-NSOVKSMOSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224637236 571592312 /nfs/dbraw/zinc/59/23/12/571592312.db2.gz BXTODWOXKFFLBH-IOWSJCHKSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224639638 571592796 /nfs/dbraw/zinc/59/27/96/571592796.db2.gz CGGILWMIXUONTQ-CZNDPXEESA-N 0 0 559.739 7.525 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224001834 571593129 /nfs/dbraw/zinc/59/31/29/571593129.db2.gz KXWPWTHFSGHHKH-LOYHVIPDSA-N 0 0 553.688 5.232 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224641618 571593288 /nfs/dbraw/zinc/59/32/88/571593288.db2.gz XGNVHTABIUIBSC-UZNNEEJFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224642548 571593446 /nfs/dbraw/zinc/59/34/46/571593446.db2.gz RZBYSVSLPLPTLZ-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000224643692 571593639 /nfs/dbraw/zinc/59/36/39/571593639.db2.gz ZRGQGTXBDBRSFJ-IHLOFXLRSA-N 0 0 531.685 7.162 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017090 571595972 /nfs/dbraw/zinc/59/59/72/571595972.db2.gz BNTWXLGFTDYDDE-IHLOFXLRSA-N 0 0 539.705 6.241 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224016968 571595978 /nfs/dbraw/zinc/59/59/78/571595978.db2.gz KLSRDIJKCHZTSJ-NSOVKSMOSA-N 0 0 511.651 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224017644 571596134 /nfs/dbraw/zinc/59/61/34/571596134.db2.gz RCVGXXDKDNKCJG-UIOOFZCWSA-N 0 0 537.472 6.702 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 ZINC000224654802 571596390 /nfs/dbraw/zinc/59/63/90/571596390.db2.gz TZVPDDFAPJIZDM-LOYHVIPDSA-N 0 0 502.643 7.150 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])c1 ZINC000224019562 571596439 /nfs/dbraw/zinc/59/64/39/571596439.db2.gz AZKDSLTZLSXHDZ-KAYWLYCHSA-N 0 0 543.605 5.312 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020363 571596512 /nfs/dbraw/zinc/59/65/12/571596512.db2.gz ZFOGSAJOSUTBJS-RRPNLBNLSA-N 0 0 533.053 6.057 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224655430 571596528 /nfs/dbraw/zinc/59/65/28/571596528.db2.gz NSBVHMXTLSGGMU-ROJLCIKYSA-N 0 0 574.706 7.245 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224659957 571597607 /nfs/dbraw/zinc/59/76/07/571597607.db2.gz KWPIZXUIDLIPNU-AJQTZOPKSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224660011 571597690 /nfs/dbraw/zinc/59/76/90/571597690.db2.gz KWPIZXUIDLIPNU-ACHIHNKUSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C ZINC000224668903 571599306 /nfs/dbraw/zinc/59/93/06/571599306.db2.gz WYVIKYYFSIXVOS-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224035685 571599405 /nfs/dbraw/zinc/59/94/05/571599405.db2.gz VTRPQNMPQSKONY-KAYWLYCHSA-N 0 0 526.618 5.182 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224035920 571599471 /nfs/dbraw/zinc/59/94/71/571599471.db2.gz YLWNLXORISTCEN-KAYWLYCHSA-N 0 0 526.618 5.182 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224670433 571599664 /nfs/dbraw/zinc/59/96/64/571599664.db2.gz GJVSRJJXMPXPJT-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224671542 571599864 /nfs/dbraw/zinc/59/98/64/571599864.db2.gz XIRGXWJVYXVYRJ-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224672307 571600059 /nfs/dbraw/zinc/60/00/59/571600059.db2.gz UHVPSUQSHRHIGA-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673587 571600359 /nfs/dbraw/zinc/60/03/59/571600359.db2.gz OVBXXYZEHGKDKK-ZPGRZCPFSA-N 0 0 601.820 8.613 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1Cl ZINC000224040893 571600454 /nfs/dbraw/zinc/60/04/54/571600454.db2.gz BXERQYOOHPKEFC-AJQTZOPKSA-N 0 0 618.203 6.181 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224673790 571600584 /nfs/dbraw/zinc/60/05/84/571600584.db2.gz PUJIRDNAGQNUKX-ACHIHNKUSA-N 0 0 599.587 9.074 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000224042118 571600662 /nfs/dbraw/zinc/60/06/62/571600662.db2.gz WNWDXIKKFZTPES-NSOVKSMOSA-N 0 0 583.585 7.222 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224675229 571600813 /nfs/dbraw/zinc/60/08/13/571600813.db2.gz WAKQLEFHXCCQJK-LRHLLKFHSA-N 0 0 572.778 8.692 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224052000 571602488 /nfs/dbraw/zinc/60/24/88/571602488.db2.gz PQODUZFRUGUSLS-LOYHVIPDSA-N 0 0 561.151 6.907 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224052168 571602495 /nfs/dbraw/zinc/60/24/95/571602495.db2.gz PQODUZFRUGUSLS-KYJUHHDHSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224053554 571602675 /nfs/dbraw/zinc/60/26/75/571602675.db2.gz KIBJQSHOTTZKQE-VSGBNLITSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224053802 571602874 /nfs/dbraw/zinc/60/28/74/571602874.db2.gz SWARVDXRQVZTNI-VSGBNLITSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224054592 571602969 /nfs/dbraw/zinc/60/29/69/571602969.db2.gz IKDHPTVRWAAYBF-NSOVKSMOSA-N 0 0 549.096 6.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224055980 571603356 /nfs/dbraw/zinc/60/33/56/571603356.db2.gz TVRZMBFGJRFQBQ-KYJUHHDHSA-N 0 0 576.166 6.411 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224056981 571603454 /nfs/dbraw/zinc/60/34/54/571603454.db2.gz HIMPYYNLVCCIIC-KYJUHHDHSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224057485 571603590 /nfs/dbraw/zinc/60/35/90/571603590.db2.gz CNNHSIYTVDONCV-DGPALRBDSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224059146 571604110 /nfs/dbraw/zinc/60/41/10/571604110.db2.gz VCSRMKADDSFTBA-WDYNHAJCSA-N 0 0 581.569 7.307 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224060046 571604398 /nfs/dbraw/zinc/60/43/98/571604398.db2.gz OMEHJKFLFLGULA-BVRKHOPBSA-N 0 0 575.178 7.216 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224060396 571604404 /nfs/dbraw/zinc/60/44/04/571604404.db2.gz UYYSCHAWLZBOPF-WUFINQPMSA-N 0 0 548.112 6.048 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224060518 571604412 /nfs/dbraw/zinc/60/44/12/571604412.db2.gz SAXIEEQUVFBLLV-SVBPBHIXSA-N 0 0 548.112 6.048 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224060672 571604561 /nfs/dbraw/zinc/60/45/61/571604561.db2.gz SAXIEEQUVFBLLV-KAYWLYCHSA-N 0 0 548.112 6.048 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000222110402 571604763 /nfs/dbraw/zinc/60/47/63/571604763.db2.gz IXOYMYPAEHFQCB-NJDAHSKKSA-N 0 0 571.210 5.451 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccn1 ZINC000224696873 571606219 /nfs/dbraw/zinc/60/62/19/571606219.db2.gz PPRDXSZZCOUYIS-IOWSJCHKSA-N 0 0 531.685 7.162 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000224074403 571606749 /nfs/dbraw/zinc/60/67/49/571606749.db2.gz PFJOCDZQSREAJE-SXOMAYOGSA-N 0 0 519.070 6.036 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1 ZINC000224702840 571606838 /nfs/dbraw/zinc/60/68/38/571606838.db2.gz VQXNFVSQJOHRSS-ACHIHNKUSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1F ZINC000224704232 571606941 /nfs/dbraw/zinc/60/69/41/571606941.db2.gz YEVBQYNQNUSKEB-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224704822 571607044 /nfs/dbraw/zinc/60/70/44/571607044.db2.gz VEIVVEDRQOIHTA-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224707424 571607198 /nfs/dbraw/zinc/60/71/98/571607198.db2.gz OTDXSDGGZLRKFM-KKLWWLSJSA-N 0 0 573.766 7.833 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707629 571607344 /nfs/dbraw/zinc/60/73/44/571607344.db2.gz ACXVVCRZNAHBIG-LQFQNGICSA-N 0 0 601.820 8.613 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccn1 ZINC000224082763 571607568 /nfs/dbraw/zinc/60/75/68/571607568.db2.gz KYYXZZDYXWGLGW-IZLXSDGUSA-N 0 0 524.694 5.964 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710816 571608014 /nfs/dbraw/zinc/60/80/14/571608014.db2.gz ACMKOKLORZAIIJ-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224711180 571608158 /nfs/dbraw/zinc/60/81/58/571608158.db2.gz ZELIJYJVAQGNRS-AJQTZOPKSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224088782 571608276 /nfs/dbraw/zinc/60/82/76/571608276.db2.gz RVMOWQVEHAUKMW-JHOUSYSJSA-N 0 0 573.766 7.722 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224090322 571608493 /nfs/dbraw/zinc/60/84/93/571608493.db2.gz FMBALCQJTMTBMN-WDYNHAJCSA-N 0 0 591.703 7.588 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224095728 571609248 /nfs/dbraw/zinc/60/92/48/571609248.db2.gz ZSWCQCJMMNXKBA-CONSDPRKSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224095459 571609299 /nfs/dbraw/zinc/60/92/99/571609299.db2.gz QULQVSXZCCQKOS-URLMMPGGSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224096373 571609389 /nfs/dbraw/zinc/60/93/89/571609389.db2.gz IUDKDFURAUDPIW-IOWSJCHKSA-N 0 0 551.760 7.186 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224097607 571609577 /nfs/dbraw/zinc/60/95/77/571609577.db2.gz LQYJWJPCRPQVAK-KYJUHHDHSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000224723231 571610722 /nfs/dbraw/zinc/61/07/22/571610722.db2.gz ZYRGNWTVCIYLQZ-IOWSJCHKSA-N 0 0 516.670 7.459 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000224723477 571610890 /nfs/dbraw/zinc/61/08/90/571610890.db2.gz QGSAZGNZAJUPNK-ACHIHNKUSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)cc1 ZINC000224113059 571611415 /nfs/dbraw/zinc/61/14/15/571611415.db2.gz XWAWCQQLXGTEPD-WDYNHAJCSA-N 0 0 539.705 6.269 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224113484 571611464 /nfs/dbraw/zinc/61/14/64/571611464.db2.gz VRGYSZIADSGYRW-LOYHVIPDSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cc2)cc1 ZINC000224728332 571611749 /nfs/dbraw/zinc/61/17/49/571611749.db2.gz KEDVYRCIKDKHJE-AJQTZOPKSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)cc2)cc1 ZINC000224728490 571611784 /nfs/dbraw/zinc/61/17/84/571611784.db2.gz ASFFLQCHLXEENA-XDSPJLLDSA-N 0 0 631.802 7.304 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 ZINC000224730996 571612045 /nfs/dbraw/zinc/61/20/45/571612045.db2.gz JOBVEADDGNZAJA-JSOSNVBQSA-N 0 0 547.684 6.862 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 ZINC000224737055 571612479 /nfs/dbraw/zinc/61/24/79/571612479.db2.gz IVEUMZHXXIAGSC-ROJLCIKYSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 ZINC000224737408 571612552 /nfs/dbraw/zinc/61/25/52/571612552.db2.gz LSWKNEVWZMPDJQ-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(F)c4)c3C)cc2)cc1 ZINC000224738486 571612631 /nfs/dbraw/zinc/61/26/31/571612631.db2.gz OXDDYRIGBOMJKK-ACHIHNKUSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(OC)c4)c3C)cc2)cc1 ZINC000224741113 571612815 /nfs/dbraw/zinc/61/28/15/571612815.db2.gz KWHIKRSZRPHPLW-JHOUSYSJSA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)cc1 ZINC000224742506 571612935 /nfs/dbraw/zinc/61/29/35/571612935.db2.gz JHWGZVYUBRVTRZ-ZWXJPIIXSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)ccn4)c3C)cc2)cc1 ZINC000224745807 571613218 /nfs/dbraw/zinc/61/32/18/571613218.db2.gz CJHTUAOTDAGTPV-AJQTZOPKSA-N 0 0 561.711 7.171 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224758215 571614415 /nfs/dbraw/zinc/61/44/15/571614415.db2.gz BXCYINGHWHAMSS-CZNDPXEESA-N 0 0 604.732 7.254 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224758361 571614502 /nfs/dbraw/zinc/61/45/02/571614502.db2.gz BXCYINGHWHAMSS-LQJZCPKCSA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224762392 571614784 /nfs/dbraw/zinc/61/47/84/571614784.db2.gz WLXISWRLXYJRLJ-JSOSNVBQSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224770592 571615524 /nfs/dbraw/zinc/61/55/24/571615524.db2.gz DWJIHCXGXMSKGV-PXLJZGITSA-N 0 0 627.795 8.879 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224771691 571615617 /nfs/dbraw/zinc/61/56/17/571615617.db2.gz CYDZCSXZGCBUHB-ROJLCIKYSA-N 0 0 591.762 8.034 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224772100 571615636 /nfs/dbraw/zinc/61/56/36/571615636.db2.gz MKXHXBUULYVZSW-CZNDPXEESA-N 0 0 605.789 8.288 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224772352 571615683 /nfs/dbraw/zinc/61/56/83/571615683.db2.gz SIQXPRMRTJLSHW-SAIUNTKASA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1F ZINC000224772633 571615702 /nfs/dbraw/zinc/61/57/02/571615702.db2.gz REVIFEJXNAFNCY-CONSDPRKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1F ZINC000224772591 571615717 /nfs/dbraw/zinc/61/57/17/571615717.db2.gz REVIFEJXNAFNCY-IOWSJCHKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224773626 571615776 /nfs/dbraw/zinc/61/57/76/571615776.db2.gz TUXWWCMZUCBAFP-IOWSJCHKSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1O ZINC000224774452 571615864 /nfs/dbraw/zinc/61/58/64/571615864.db2.gz QEEFHHSXSUWCFA-IOWSJCHKSA-N 0 0 593.734 7.431 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224774778 571615919 /nfs/dbraw/zinc/61/59/19/571615919.db2.gz CDJFNQIHQOVYAF-ROJLCIKYSA-N 0 0 607.761 7.734 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224776859 571616058 /nfs/dbraw/zinc/61/60/58/571616058.db2.gz KIJXSRJRXXSOHN-SAIUNTKASA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224777251 571616097 /nfs/dbraw/zinc/61/60/97/571616097.db2.gz LPFBURHMGLNOHN-SAIUNTKASA-N 0 0 605.789 8.342 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224777990 571616185 /nfs/dbraw/zinc/61/61/85/571616185.db2.gz XEIZFXFPUQQLTI-ROJLCIKYSA-N 0 0 652.758 7.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224778493 571616215 /nfs/dbraw/zinc/61/62/15/571616215.db2.gz BAMIWTFKRIFXSC-AJQTZOPKSA-N 0 0 626.207 8.687 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778923 571616241 /nfs/dbraw/zinc/61/62/41/571616241.db2.gz QWDSOILYGUWKOQ-ACHIHNKUSA-N 0 0 642.206 8.388 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ncccc1C ZINC000224779688 571616296 /nfs/dbraw/zinc/61/62/96/571616296.db2.gz HMPMGDOFRNFFRA-KYJUHHDHSA-N 0 0 592.750 7.429 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224792050 571617519 /nfs/dbraw/zinc/61/75/19/571617519.db2.gz UYWARJAJCGDSFX-AJQTZOPKSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(OC)c1 ZINC000224796036 571617938 /nfs/dbraw/zinc/61/79/38/571617938.db2.gz WERGOUQDOIWYNG-SXOMAYOGSA-N 0 0 552.622 6.702 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224805267 571618715 /nfs/dbraw/zinc/61/87/15/571618715.db2.gz PTEWROIQUTVUJJ-FQLXRVMXSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 ZINC000224807378 571618997 /nfs/dbraw/zinc/61/89/97/571618997.db2.gz VZQQCYYIVYWKKN-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c(OC)c1 ZINC000224810258 571619269 /nfs/dbraw/zinc/61/92/69/571619269.db2.gz DJJXURBHCDOPEQ-XRKRLSELSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c(OC)c1 ZINC000224810883 571619332 /nfs/dbraw/zinc/61/93/32/571619332.db2.gz WMKKBLFRXRXKII-PQHLKRTFSA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c(OC)c1 ZINC000224810837 571619338 /nfs/dbraw/zinc/61/93/38/571619338.db2.gz WMKKBLFRXRXKII-MFMCTBQISA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224836626 571621947 /nfs/dbraw/zinc/62/19/47/571621947.db2.gz DLEUWROUXSWNSH-IOWSJCHKSA-N 0 0 534.685 6.837 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224838165 571622088 /nfs/dbraw/zinc/62/20/88/571622088.db2.gz SWYUPKSBQZKWLZ-URLMMPGGSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224840080 571622231 /nfs/dbraw/zinc/62/22/31/571622231.db2.gz JIQQIQBKHRDYGD-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224840689 571622300 /nfs/dbraw/zinc/62/23/00/571622300.db2.gz OSGXHDNCLKTYJZ-WUFINQPMSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000224843022 571622524 /nfs/dbraw/zinc/62/25/24/571622524.db2.gz CRXNLQQAQXREHH-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224844174 571622610 /nfs/dbraw/zinc/62/26/10/571622610.db2.gz XAHFIWDDCPWPHP-IZLXSDGUSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224844732 571622646 /nfs/dbraw/zinc/62/26/46/571622646.db2.gz ABXIPJJCGVMDAF-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)cc1 ZINC000224856170 571623623 /nfs/dbraw/zinc/62/36/23/571623623.db2.gz DJUQYMSTBUZYDF-RRPNLBNLSA-N 0 0 500.624 5.384 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21 ZINC000224861482 571624212 /nfs/dbraw/zinc/62/42/12/571624212.db2.gz JVVQVHITVZZDRS-JWQCQUIFSA-N 0 0 525.505 6.903 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc2ccccc21 ZINC000224867292 571624765 /nfs/dbraw/zinc/62/47/65/571624765.db2.gz WIHMDYOWTPRGOV-WDYNHAJCSA-N 0 0 525.077 7.178 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1 ZINC000224869850 571625059 /nfs/dbraw/zinc/62/50/59/571625059.db2.gz DICFWYIWFLWFDN-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Br ZINC000224870188 571625123 /nfs/dbraw/zinc/62/51/23/571625123.db2.gz MGOROHANWDFINJ-LOSJGSFVSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224870286 571625127 /nfs/dbraw/zinc/62/51/27/571625127.db2.gz NPRZTTBCUWLFKX-JWQCQUIFSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224870547 571625151 /nfs/dbraw/zinc/62/51/51/571625151.db2.gz PPFQTRJCCBPBLG-LOSJGSFVSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224872349 571625330 /nfs/dbraw/zinc/62/53/30/571625330.db2.gz LIAXYFPOJVVTEH-LOSJGSFVSA-N 0 0 543.907 7.332 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872136 571625338 /nfs/dbraw/zinc/62/53/38/571625338.db2.gz ZRJAQLAWRCOZIH-WDYNHAJCSA-N 0 0 546.140 6.871 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000224873152 571625488 /nfs/dbraw/zinc/62/54/88/571625488.db2.gz FCKALEKDBZLCIS-KAYWLYCHSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000224873192 571625511 /nfs/dbraw/zinc/62/55/11/571625511.db2.gz FCKALEKDBZLCIS-SXOMAYOGSA-N 0 0 503.071 6.642 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224873923 571625608 /nfs/dbraw/zinc/62/56/08/571625608.db2.gz DXYSTJGKTYNWBR-FTJBHMTQSA-N 0 0 550.040 5.942 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224886141 571626763 /nfs/dbraw/zinc/62/67/63/571626763.db2.gz ZBEVKFHVOQAOTK-FTJBHMTQSA-N 0 0 533.053 5.812 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224886103 571626767 /nfs/dbraw/zinc/62/67/67/571626767.db2.gz ZBEVKFHVOQAOTK-CLJLJLNGSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224899753 571628104 /nfs/dbraw/zinc/62/81/04/571628104.db2.gz IMHDXCKAFIBBAK-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224900024 571628127 /nfs/dbraw/zinc/62/81/27/571628127.db2.gz XGTSSDFPMPFHHA-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224899812 571628138 /nfs/dbraw/zinc/62/81/38/571628138.db2.gz SFUSZGFSBZHVAZ-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224903616 571628447 /nfs/dbraw/zinc/62/84/47/571628447.db2.gz JPKYPTKETPYHQT-KAYWLYCHSA-N 0 0 505.062 7.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224926810 571630741 /nfs/dbraw/zinc/63/07/41/571630741.db2.gz WBPZZQVWMZDTTG-KYJUHHDHSA-N 0 0 567.556 7.890 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224927566 571630862 /nfs/dbraw/zinc/63/08/62/571630862.db2.gz BCMLOWUDENLOMW-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224928145 571630925 /nfs/dbraw/zinc/63/09/25/571630925.db2.gz ZWRUHPCOSARMOC-IZLXSDGUSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1F ZINC000224928449 571630935 /nfs/dbraw/zinc/63/09/35/571630935.db2.gz AXYMRJJTUPIQPB-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224928731 571630938 /nfs/dbraw/zinc/63/09/38/571630938.db2.gz WOPHHFTWRDBZFJ-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224928622 571630940 /nfs/dbraw/zinc/63/09/40/571630940.db2.gz WOPHHFTWRDBZFJ-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224929242 571631002 /nfs/dbraw/zinc/63/10/02/571631002.db2.gz MPADESYXVLRWKA-UIOOFZCWSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224929826 571631033 /nfs/dbraw/zinc/63/10/33/571631033.db2.gz MASTYPPMRISIHY-CLJLJLNGSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224932292 571631329 /nfs/dbraw/zinc/63/13/29/571631329.db2.gz UJPKIUQVIOYSHC-IAPPQJPRSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933191 571631368 /nfs/dbraw/zinc/63/13/68/571631368.db2.gz FNPIWGWCGCLUOC-RRPNLBNLSA-N 0 0 592.519 6.654 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933833 571631440 /nfs/dbraw/zinc/63/14/40/571631440.db2.gz PIFQNVPEUIFWNZ-KAYWLYCHSA-N 0 0 581.967 7.399 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934125 571631473 /nfs/dbraw/zinc/63/14/73/571631473.db2.gz ODBJAKYNSIULAC-SVBPBHIXSA-N 0 0 592.519 6.654 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224934367 571631521 /nfs/dbraw/zinc/63/15/21/571631521.db2.gz OYECIHJNQCNVGX-CLJLJLNGSA-N 0 0 532.511 6.441 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934305 571631527 /nfs/dbraw/zinc/63/15/27/571631527.db2.gz QTXHBMMXVYRFAN-YTMVLYRLSA-N 0 0 559.577 7.608 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ncccc1C ZINC000224934622 571631556 /nfs/dbraw/zinc/63/15/56/571631556.db2.gz DISHIZWPGCAZIZ-LOSJGSFVSA-N 0 0 532.511 6.441 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)n1-c1ccccc1 ZINC000224944755 571632510 /nfs/dbraw/zinc/63/25/10/571632510.db2.gz MDFOXPMJQZVWQT-JWQCQUIFSA-N 0 0 503.469 6.429 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)cc1 ZINC000224945016 571632573 /nfs/dbraw/zinc/63/25/73/571632573.db2.gz HFKUHRWFXLNNTB-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224953425 571633360 /nfs/dbraw/zinc/63/33/60/571633360.db2.gz LZUZGKXYIPVSGS-IZZNHLLZSA-N 0 0 539.488 6.687 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224957008 571633636 /nfs/dbraw/zinc/63/36/36/571633636.db2.gz WWLJGJNXGPOLFN-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224958847 571633853 /nfs/dbraw/zinc/63/38/53/571633853.db2.gz ZPBLOWXQOBNKMN-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224958979 571633880 /nfs/dbraw/zinc/63/38/80/571633880.db2.gz TVPSJYUWADQHEY-FTJBHMTQSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224958942 571633890 /nfs/dbraw/zinc/63/38/90/571633890.db2.gz TVPSJYUWADQHEY-UIOOFZCWSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224959135 571633892 /nfs/dbraw/zinc/63/38/92/571633892.db2.gz CNOMEKCVSHYSSL-FTJBHMTQSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224959220 571633897 /nfs/dbraw/zinc/63/38/97/571633897.db2.gz CNOMEKCVSHYSSL-CLJLJLNGSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224959320 571633910 /nfs/dbraw/zinc/63/39/10/571633910.db2.gz UWPGIDXEXYNVDP-FTJBHMTQSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224959730 571633945 /nfs/dbraw/zinc/63/39/45/571633945.db2.gz KVJFVYFAZBIVGY-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224959825 571633947 /nfs/dbraw/zinc/63/39/47/571633947.db2.gz RIXMUCCUYVYFPQ-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960036 571633990 /nfs/dbraw/zinc/63/39/90/571633990.db2.gz WQVOFGLELKYVMN-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224960732 571634075 /nfs/dbraw/zinc/63/40/75/571634075.db2.gz KVAGNJCOMVUTLO-WUFINQPMSA-N 0 0 532.113 6.394 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224961078 571634150 /nfs/dbraw/zinc/63/41/50/571634150.db2.gz YZNVVRBYDPPJPJ-IZZNHLLZSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224961987 571634228 /nfs/dbraw/zinc/63/42/28/571634228.db2.gz XRIVDXKQUDNKGC-VSGBNLITSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224962646 571634316 /nfs/dbraw/zinc/63/43/16/571634316.db2.gz OUWSUUBIEIEMJU-RRPNLBNLSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224962604 571634331 /nfs/dbraw/zinc/63/43/31/571634331.db2.gz OUWSUUBIEIEMJU-SXOMAYOGSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224962784 571634341 /nfs/dbraw/zinc/63/43/41/571634341.db2.gz JKCIUWNJPVESRG-SXOMAYOGSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224963034 571634344 /nfs/dbraw/zinc/63/43/44/571634344.db2.gz LWQPIDGSHUZBHY-KAYWLYCHSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224963388 571634402 /nfs/dbraw/zinc/63/44/02/571634402.db2.gz CIEPIIPTAYSJLU-KAYWLYCHSA-N 0 0 553.515 6.990 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224974689 571635412 /nfs/dbraw/zinc/63/54/12/571635412.db2.gz BYWMWKRKGBOTGX-RRPNLBNLSA-N 0 0 547.080 6.115 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224974510 571635423 /nfs/dbraw/zinc/63/54/23/571635423.db2.gz MOKDSLZBCKVSNW-RRPNLBNLSA-N 0 0 547.080 6.115 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224974849 571635449 /nfs/dbraw/zinc/63/54/49/571635449.db2.gz GRJSRAGOIHZRLK-RRPNLBNLSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224985636 571636391 /nfs/dbraw/zinc/63/63/91/571636391.db2.gz AJZILVYFDJFRNG-ROJLCIKYSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224987101 571636596 /nfs/dbraw/zinc/63/65/96/571636596.db2.gz ZQBUOQMBLKDWLG-CONSDPRKSA-N 0 0 574.169 7.695 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000224988651 571636776 /nfs/dbraw/zinc/63/67/76/571636776.db2.gz JDJCXLLEGWXCSS-ACHIHNKUSA-N 0 0 586.205 7.565 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224990276 571636966 /nfs/dbraw/zinc/63/69/66/571636966.db2.gz OIABIVPQVJAXLM-JHOUSYSJSA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224990837 571636997 /nfs/dbraw/zinc/63/69/97/571636997.db2.gz DAOMIZIWUBAFGN-ACHIHNKUSA-N 0 0 600.188 7.285 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992235 571637165 /nfs/dbraw/zinc/63/71/65/571637165.db2.gz WBJNMJVCNMMEMM-CWTKIQHKSA-N 0 0 598.260 8.427 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992136 571637189 /nfs/dbraw/zinc/63/71/89/571637189.db2.gz WSVFXDPSSYJFAY-ACHIHNKUSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224992790 571637253 /nfs/dbraw/zinc/63/72/53/571637253.db2.gz OAJAYAJNUIGOGQ-IOWSJCHKSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)n1-c1ccccc1 ZINC000225002339 571638195 /nfs/dbraw/zinc/63/81/95/571638195.db2.gz XRFXHKGIOIIOFV-IHLOFXLRSA-N 0 0 542.152 7.248 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000225003095 571638232 /nfs/dbraw/zinc/63/82/32/571638232.db2.gz DNRSKVBBMCAHBY-ACHIHNKUSA-N 0 0 614.215 7.343 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000225003053 571638234 /nfs/dbraw/zinc/63/82/34/571638234.db2.gz DNRSKVBBMCAHBY-AJQTZOPKSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225035139 571640895 /nfs/dbraw/zinc/64/08/95/571640895.db2.gz XREPKZKFXUQCEW-VSGBNLITSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225044926 571641662 /nfs/dbraw/zinc/64/16/62/571641662.db2.gz HAQOQIDHSRLURK-VSGBNLITSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225046990 571641876 /nfs/dbraw/zinc/64/18/76/571641876.db2.gz QLCORWPFZDOIHO-LOYHVIPDSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225046756 571641904 /nfs/dbraw/zinc/64/19/04/571641904.db2.gz SNTVLUXXIPCMDY-NSOVKSMOSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225047854 571641989 /nfs/dbraw/zinc/64/19/89/571641989.db2.gz WPGIEMGJHIEOLJ-BVRKHOPBSA-N 0 0 523.750 6.889 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225048364 571642059 /nfs/dbraw/zinc/64/20/59/571642059.db2.gz UJZVJXVKELDCMA-FQLXRVMXSA-N 0 0 556.692 5.881 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000225071505 571644093 /nfs/dbraw/zinc/64/40/93/571644093.db2.gz COCMUVUFXSFCGE-KKLWWLSJSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000225073186 571644260 /nfs/dbraw/zinc/64/42/60/571644260.db2.gz VFFOIEGVFDABQK-JHOUSYSJSA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225072754 571644270 /nfs/dbraw/zinc/64/42/70/571644270.db2.gz AIQWFJKYUKRCAI-CZNDPXEESA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225072869 571644276 /nfs/dbraw/zinc/64/42/76/571644276.db2.gz AIQWFJKYUKRCAI-LQJZCPKCSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000225073644 571644321 /nfs/dbraw/zinc/64/43/21/571644321.db2.gz YBFNCITXGMYRGV-SAIUNTKASA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000225074090 571644369 /nfs/dbraw/zinc/64/43/69/571644369.db2.gz YODMGWUTBYENAJ-CZNDPXEESA-N 0 0 589.721 6.389 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225074259 571644436 /nfs/dbraw/zinc/64/44/36/571644436.db2.gz WGADRLMOZZXFJR-CZNDPXEESA-N 0 0 589.721 6.389 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225074690 571644452 /nfs/dbraw/zinc/64/44/52/571644452.db2.gz LRKRTMPWGCRWDT-SZAHLOSFSA-N 0 0 603.748 6.692 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075489 571644550 /nfs/dbraw/zinc/64/45/50/571644550.db2.gz QZQIHJWFYFVECQ-FZNHDDJXSA-N 0 0 644.845 7.530 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225075791 571644599 /nfs/dbraw/zinc/64/45/99/571644599.db2.gz NNTAFADNUUASGC-LQJZCPKCSA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225075661 571644603 /nfs/dbraw/zinc/64/46/03/571644603.db2.gz NNTAFADNUUASGC-CZNDPXEESA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225076027 571644616 /nfs/dbraw/zinc/64/46/16/571644616.db2.gz GVZDWLGRIFKGCT-VSJLXWSYSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225077634 571644762 /nfs/dbraw/zinc/64/47/62/571644762.db2.gz MOOHWBAEHMMJCE-SZAHLOSFSA-N 0 0 622.194 7.646 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225077459 571644765 /nfs/dbraw/zinc/64/47/65/571644765.db2.gz VFWCRCGEPQFYLV-SZAHLOSFSA-N 0 0 648.745 6.601 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225077666 571644791 /nfs/dbraw/zinc/64/47/91/571644791.db2.gz MOOHWBAEHMMJCE-HEVIKAOCSA-N 0 0 622.194 7.646 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077960 571644844 /nfs/dbraw/zinc/64/48/44/571644844.db2.gz FIQKWWIZSFOTPD-SZAHLOSFSA-N 0 0 638.193 7.346 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077992 571644845 /nfs/dbraw/zinc/64/48/45/571644845.db2.gz FIQKWWIZSFOTPD-HEVIKAOCSA-N 0 0 638.193 7.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225078789 571644942 /nfs/dbraw/zinc/64/49/42/571644942.db2.gz AACJUYFGIVMXJC-JHOUSYSJSA-N 0 0 588.737 6.387 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)n1-c1ccccc1 ZINC000225088712 571646175 /nfs/dbraw/zinc/64/61/75/571646175.db2.gz IBXSTDZVQYAKCA-ACHIHNKUSA-N 0 0 559.695 6.375 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100375 571647180 /nfs/dbraw/zinc/64/71/80/571647180.db2.gz RLCGNVXRHWLHTJ-URLMMPGGSA-N 0 0 553.732 6.659 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101030 571647248 /nfs/dbraw/zinc/64/72/48/571647248.db2.gz HDDSHDKDSKQMFK-WDYNHAJCSA-N 0 0 621.729 7.678 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225101443 571647319 /nfs/dbraw/zinc/64/73/19/571647319.db2.gz BCCYNMMAZWECLM-IOWSJCHKSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101792 571647350 /nfs/dbraw/zinc/64/73/50/571647350.db2.gz QOKYFRQKTQNJGW-URLMMPGGSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102185 571647413 /nfs/dbraw/zinc/64/74/13/571647413.db2.gz HUBRHINGVWXMMK-VMPREFPWSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104644 571647647 /nfs/dbraw/zinc/64/76/47/571647647.db2.gz QJRKWCQJDCXNFD-URLMMPGGSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105129 571647699 /nfs/dbraw/zinc/64/76/99/571647699.db2.gz SIZMPNLWAABKAK-JSOSNVBQSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107404 571647979 /nfs/dbraw/zinc/64/79/79/571647979.db2.gz JSNJDIQBGOXYNT-URLMMPGGSA-N 0 0 568.747 6.363 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225118355 571649174 /nfs/dbraw/zinc/64/91/74/571649174.db2.gz DRKSGVWDKKUYEG-XZWHSSHBSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225122063 571649554 /nfs/dbraw/zinc/64/95/54/571649554.db2.gz PHMZHYNQNWDENS-WUFINQPMSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000225124240 571649746 /nfs/dbraw/zinc/64/97/46/571649746.db2.gz NTOLNBDLQLWXNX-SVBPBHIXSA-N 0 0 545.112 6.309 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225125910 571649898 /nfs/dbraw/zinc/64/98/98/571649898.db2.gz WQNIDSGFWTYYRO-NSOVKSMOSA-N 0 0 594.568 7.273 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000225129603 571650123 /nfs/dbraw/zinc/65/01/23/571650123.db2.gz UQTDMSCHENJMTO-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000225129532 571650132 /nfs/dbraw/zinc/65/01/32/571650132.db2.gz UQTDMSCHENJMTO-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225131099 571650221 /nfs/dbraw/zinc/65/02/21/571650221.db2.gz HYOPPKNVOXCQJR-NSOVKSMOSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000225131632 571650303 /nfs/dbraw/zinc/65/03/03/571650303.db2.gz DKRUGRLFBSGWOI-VSGBNLITSA-N 0 0 560.123 6.620 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225132024 571650323 /nfs/dbraw/zinc/65/03/23/571650323.db2.gz HTNZSQLIVLCWTA-URLMMPGGSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225132850 571650392 /nfs/dbraw/zinc/65/03/92/571650392.db2.gz SBKMGYQILOBKSB-XZWHSSHBSA-N 0 0 587.193 6.980 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225134459 571650533 /nfs/dbraw/zinc/65/05/33/571650533.db2.gz PSAFOTDXJGTQJE-URLMMPGGSA-N 0 0 592.596 7.876 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135424 571650634 /nfs/dbraw/zinc/65/06/34/571650634.db2.gz AANBCNCXEQPJNX-URLMMPGGSA-N 0 0 619.147 6.831 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000225135964 571650714 /nfs/dbraw/zinc/65/07/14/571650714.db2.gz OASRJNHRDMGXJT-VSGBNLITSA-N 0 0 559.139 6.618 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225146106 571651952 /nfs/dbraw/zinc/65/19/52/571651952.db2.gz VKXHCGQHUYWZRB-URLMMPGGSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225151893 571652580 /nfs/dbraw/zinc/65/25/80/571652580.db2.gz IEYGCCPGLBLJMW-VSGBNLITSA-N 0 0 510.667 5.718 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225156196 571652993 /nfs/dbraw/zinc/65/29/93/571652993.db2.gz TVBFCTXPIZTWSE-CZNDPXEESA-N 0 0 559.739 7.476 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225156927 571653045 /nfs/dbraw/zinc/65/30/45/571653045.db2.gz ATXOXNPKROZQMN-KYJUHHDHSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225158168 571653117 /nfs/dbraw/zinc/65/31/17/571653117.db2.gz MBMYRCDMLYTLPF-WDYNHAJCSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225158665 571653165 /nfs/dbraw/zinc/65/31/65/571653165.db2.gz HMVFWNOXIFOHSD-VMPREFPWSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225159217 571653178 /nfs/dbraw/zinc/65/31/78/571653178.db2.gz OIHRECLZMSIGFA-WDYNHAJCSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225158782 571653201 /nfs/dbraw/zinc/65/32/01/571653201.db2.gz HMVFWNOXIFOHSD-FQLXRVMXSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225159118 571653203 /nfs/dbraw/zinc/65/32/03/571653203.db2.gz YKXOAVWZLUKVHK-FQLXRVMXSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225159673 571653218 /nfs/dbraw/zinc/65/32/18/571653218.db2.gz HAFXJXGJNQZQAQ-KYJUHHDHSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225159713 571653224 /nfs/dbraw/zinc/65/32/24/571653224.db2.gz HAFXJXGJNQZQAQ-IHLOFXLRSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225159780 571653280 /nfs/dbraw/zinc/65/32/80/571653280.db2.gz HAFXJXGJNQZQAQ-LOYHVIPDSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225161874 571653448 /nfs/dbraw/zinc/65/34/48/571653448.db2.gz KECXREDHFFHQRN-FIRIVFDPSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225163173 571653577 /nfs/dbraw/zinc/65/35/77/571653577.db2.gz FLZCZQAORBCGTR-IHLOFXLRSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225163736 571653613 /nfs/dbraw/zinc/65/36/13/571653613.db2.gz LVPPQFCTDNBAIK-URLMMPGGSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225163928 571653658 /nfs/dbraw/zinc/65/36/58/571653658.db2.gz YQYKKJNKOVZPKZ-VSGBNLITSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225173768 571654528 /nfs/dbraw/zinc/65/45/28/571654528.db2.gz ROJIVAPDRHUTIG-URLMMPGGSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OC ZINC000225177824 571654938 /nfs/dbraw/zinc/65/49/38/571654938.db2.gz IPDWAVLNMLOEHV-URLMMPGGSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC ZINC000225185271 571655744 /nfs/dbraw/zinc/65/57/44/571655744.db2.gz NHWXLUIBJWRPDG-IHLOFXLRSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC ZINC000225185243 571655753 /nfs/dbraw/zinc/65/57/53/571655753.db2.gz NHWXLUIBJWRPDG-KYJUHHDHSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1OC ZINC000225185990 571655760 /nfs/dbraw/zinc/65/57/60/571655760.db2.gz VHZZQTMTEUIACA-FIRIVFDPSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1OC ZINC000225185841 571655776 /nfs/dbraw/zinc/65/57/76/571655776.db2.gz UEWIGVJJCFOOJQ-FIRIVFDPSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC ZINC000225186794 571655871 /nfs/dbraw/zinc/65/58/71/571655871.db2.gz DMMYNOARRHUTCB-FQLXRVMXSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC ZINC000225186759 571655904 /nfs/dbraw/zinc/65/59/04/571655904.db2.gz DMMYNOARRHUTCB-URLMMPGGSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1OC ZINC000225188722 571656088 /nfs/dbraw/zinc/65/60/88/571656088.db2.gz FUIIOUYGBVXFLG-CONSDPRKSA-N 0 0 568.747 6.089 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1OC ZINC000225189010 571656164 /nfs/dbraw/zinc/65/61/64/571656164.db2.gz GXYVXXAOLQZFDE-CZNDPXEESA-N 0 0 596.801 6.870 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC ZINC000225190688 571656285 /nfs/dbraw/zinc/65/62/85/571656285.db2.gz KUZXFVSHRPDWQS-IHLOFXLRSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1OC ZINC000225202542 571657453 /nfs/dbraw/zinc/65/74/53/571657453.db2.gz RUIXDKQDXXVKOL-IHLOFXLRSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000225206253 571657830 /nfs/dbraw/zinc/65/78/30/571657830.db2.gz DOASOXIOWXIHSR-ZWXJPIIXSA-N 0 0 596.757 5.088 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000225213202 571658508 /nfs/dbraw/zinc/65/85/08/571658508.db2.gz RHUNMTDDMHOUTG-NSOVKSMOSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000225213630 571658509 /nfs/dbraw/zinc/65/85/09/571658509.db2.gz QWCYHHMFWYQOOQ-URLMMPGGSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000225213840 571658535 /nfs/dbraw/zinc/65/85/35/571658535.db2.gz DMEQGDQULAIKHS-FQLXRVMXSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000225216540 571658840 /nfs/dbraw/zinc/65/88/40/571658840.db2.gz ZTFBURBCCKXATM-URLMMPGGSA-N 0 0 541.677 5.260 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217387 571658948 /nfs/dbraw/zinc/65/89/48/571658948.db2.gz AXGLTJBANHXVTG-ZWXJPIIXSA-N 0 0 582.774 6.097 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000225218028 571658995 /nfs/dbraw/zinc/65/89/95/571658995.db2.gz WEQMTIGJIOUAOF-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000225218072 571659031 /nfs/dbraw/zinc/65/90/31/571659031.db2.gz WEQMTIGJIOUAOF-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000225218906 571659112 /nfs/dbraw/zinc/65/91/12/571659112.db2.gz PKUBOZAKXDHEIR-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000225219019 571659155 /nfs/dbraw/zinc/65/91/55/571659155.db2.gz PKUBOZAKXDHEIR-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000225234135 571660817 /nfs/dbraw/zinc/66/08/17/571660817.db2.gz ZJYRNHBXRQHCAO-WUFINQPMSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000225241114 571661601 /nfs/dbraw/zinc/66/16/01/571661601.db2.gz LVLOFSZTIUMOBT-IZLXSDGUSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000225241073 571661609 /nfs/dbraw/zinc/66/16/09/571661609.db2.gz LVLOFSZTIUMOBT-NSOVKSMOSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000225241642 571661633 /nfs/dbraw/zinc/66/16/33/571661633.db2.gz FBOSPDZVLJNGDA-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000225241734 571661638 /nfs/dbraw/zinc/66/16/38/571661638.db2.gz PDZJHWYNGBMEPC-NSOVKSMOSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000225242406 571661765 /nfs/dbraw/zinc/66/17/65/571661765.db2.gz VKMWFJCJEREDMA-NSOVKSMOSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000225242597 571661772 /nfs/dbraw/zinc/66/17/72/571661772.db2.gz ZBEVLZBUBFNEMM-IZLXSDGUSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000225242720 571661783 /nfs/dbraw/zinc/66/17/83/571661783.db2.gz HKGTYCOJJYBNDH-NSOVKSMOSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000225243022 571661794 /nfs/dbraw/zinc/66/17/94/571661794.db2.gz RSHKDZOEUUNGFI-NSOVKSMOSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000225242901 571661824 /nfs/dbraw/zinc/66/18/24/571661824.db2.gz IIDGXWGEAKFSAN-IZLXSDGUSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000225243280 571661839 /nfs/dbraw/zinc/66/18/39/571661839.db2.gz IYPKMYKIMYUXEC-VSGBNLITSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000225243587 571661903 /nfs/dbraw/zinc/66/19/03/571661903.db2.gz ATZCMQKIJSSWOL-WUFINQPMSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000225244876 571661986 /nfs/dbraw/zinc/66/19/86/571661986.db2.gz GPVOGLWATKKZHE-XZWHSSHBSA-N 0 0 589.165 5.971 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000225245881 571662115 /nfs/dbraw/zinc/66/21/15/571662115.db2.gz AVCIFKBBQDUPHV-PQHLKRTFSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000225245838 571662117 /nfs/dbraw/zinc/66/21/17/571662117.db2.gz AVCIFKBBQDUPHV-MFMCTBQISA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000225248023 571662305 /nfs/dbraw/zinc/66/23/05/571662305.db2.gz NSBGADBACLUCMF-NSOVKSMOSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000225247860 571662327 /nfs/dbraw/zinc/66/23/27/571662327.db2.gz REUGCNTWLNLMTR-SVBPBHIXSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000225258127 571663431 /nfs/dbraw/zinc/66/34/31/571663431.db2.gz JGUFMEXTCQVDTB-FQLXRVMXSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225261279 571663802 /nfs/dbraw/zinc/66/38/02/571663802.db2.gz PIRSMIMXTQWTCL-VMPREFPWSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225264726 571664207 /nfs/dbraw/zinc/66/42/07/571664207.db2.gz XBVTVXNPSDUYOC-WDYNHAJCSA-N 0 0 576.122 5.919 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225267690 571664613 /nfs/dbraw/zinc/66/46/13/571664613.db2.gz WUGIWEMJXOBORE-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225268046 571664659 /nfs/dbraw/zinc/66/46/59/571664659.db2.gz WPUBMQHYFNMYAB-VMPREFPWSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225267956 571664678 /nfs/dbraw/zinc/66/46/78/571664678.db2.gz SWZNXZANJWHZIN-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225268789 571664704 /nfs/dbraw/zinc/66/47/04/571664704.db2.gz HTIUKQLKRAMXPW-FQLXRVMXSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225268841 571664793 /nfs/dbraw/zinc/66/47/93/571664793.db2.gz VNQVLKHVTAZYLH-VMPREFPWSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225269816 571664862 /nfs/dbraw/zinc/66/48/62/571664862.db2.gz JNFIRNHVVLDFIR-URLMMPGGSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225269598 571664886 /nfs/dbraw/zinc/66/48/86/571664886.db2.gz DZLRSRWZBRSHMP-VMPREFPWSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225270162 571664907 /nfs/dbraw/zinc/66/49/07/571664907.db2.gz PCIDDZYRVSMITD-FQLXRVMXSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225271353 571665070 /nfs/dbraw/zinc/66/50/70/571665070.db2.gz PNNVAAFIYKIGQT-WDYNHAJCSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225272110 571665109 /nfs/dbraw/zinc/66/51/09/571665109.db2.gz JKFCPWVWQZCOAP-BVRKHOPBSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225273474 571665269 /nfs/dbraw/zinc/66/52/69/571665269.db2.gz ZRQXOQBPTVZYQP-KYJUHHDHSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C ZINC000225283575 571666295 /nfs/dbraw/zinc/66/62/95/571666295.db2.gz OWYWQDMKMVAIME-IZLXSDGUSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C ZINC000225283648 571666318 /nfs/dbraw/zinc/66/63/18/571666318.db2.gz OWYWQDMKMVAIME-VSGBNLITSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225284113 571666392 /nfs/dbraw/zinc/66/63/92/571666392.db2.gz JJIKZFJZYZSVSI-LOYHVIPDSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1OC ZINC000225288112 571666881 /nfs/dbraw/zinc/66/68/81/571666881.db2.gz UMIRFYCPCIGMEI-WDYNHAJCSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1OC ZINC000225294995 571667796 /nfs/dbraw/zinc/66/77/96/571667796.db2.gz YNXCHJXGTSLONB-URLMMPGGSA-N 0 0 609.674 6.279 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225295302 571667821 /nfs/dbraw/zinc/66/78/21/571667821.db2.gz CHHZHKZYNSLYRU-IOWSJCHKSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1OC ZINC000225295540 571667852 /nfs/dbraw/zinc/66/78/52/571667852.db2.gz XUXMWTZIFVKXQQ-WDYNHAJCSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1OC ZINC000225295735 571667883 /nfs/dbraw/zinc/66/78/83/571667883.db2.gz NLLFZOJKWNGQDB-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC ZINC000225295653 571667895 /nfs/dbraw/zinc/66/78/95/571667895.db2.gz RZFLAQSVVJALRV-WDYNHAJCSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC ZINC000225295706 571667905 /nfs/dbraw/zinc/66/79/05/571667905.db2.gz RZFLAQSVVJALRV-FQLXRVMXSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1OC ZINC000225296054 571667937 /nfs/dbraw/zinc/66/79/37/571667937.db2.gz AAQUULIWWSUTDJ-URLMMPGGSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1OC ZINC000225295916 571667946 /nfs/dbraw/zinc/66/79/46/571667946.db2.gz IMILQSLJGZPEGO-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1OC ZINC000225295945 571667947 /nfs/dbraw/zinc/66/79/47/571667947.db2.gz IMILQSLJGZPEGO-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1OC ZINC000225296078 571667985 /nfs/dbraw/zinc/66/79/85/571667985.db2.gz AAQUULIWWSUTDJ-FQLXRVMXSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1OC ZINC000225297934 571668275 /nfs/dbraw/zinc/66/82/75/571668275.db2.gz HFRRUIYCIOHXKU-FIRIVFDPSA-N 0 0 584.746 5.326 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298075 571668313 /nfs/dbraw/zinc/66/83/13/571668313.db2.gz SHUDQFLXSDBCLS-LQJZCPKCSA-N 0 0 612.800 6.106 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1OC ZINC000225298543 571668393 /nfs/dbraw/zinc/66/83/93/571668393.db2.gz PYBRHYDRFIXGDL-CONSDPRKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1OC ZINC000225298574 571668398 /nfs/dbraw/zinc/66/83/98/571668398.db2.gz PYBRHYDRFIXGDL-JSOSNVBQSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1OC ZINC000225299173 571668424 /nfs/dbraw/zinc/66/84/24/571668424.db2.gz LFXONIQNCMMIEE-BHYZAODMSA-N 0 0 583.758 6.185 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1OC ZINC000225300145 571668557 /nfs/dbraw/zinc/66/85/57/571668557.db2.gz GMBACOCPLWGBPP-XZWHSSHBSA-N 0 0 606.148 5.922 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225300415 571668580 /nfs/dbraw/zinc/66/85/80/571668580.db2.gz JMBIVPPQKKQVLG-BHYZAODMSA-N 0 0 583.758 6.131 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NC(C)=O ZINC000225312011 571670355 /nfs/dbraw/zinc/67/03/55/571670355.db2.gz MEVFTXKEPGUVHZ-ACHIHNKUSA-N 0 0 596.757 5.470 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NC(C)=O ZINC000225318492 571672508 /nfs/dbraw/zinc/67/25/08/571672508.db2.gz GJHGBGFTKJGIQZ-FQLXRVMXSA-N 0 0 525.678 5.942 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NC(C)=O ZINC000225319103 571672801 /nfs/dbraw/zinc/67/28/01/571672801.db2.gz OUJDOCYKHARVPK-NSOVKSMOSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NC(C)=O ZINC000225319550 571673907 /nfs/dbraw/zinc/67/39/07/571673907.db2.gz RXHRTIUUEIISQN-IZLXSDGUSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NC(C)=O ZINC000225319944 571674832 /nfs/dbraw/zinc/67/48/32/571674832.db2.gz JRIQDACOPIVELN-IZLXSDGUSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NC(C)=O ZINC000225321466 571676769 /nfs/dbraw/zinc/67/67/69/571676769.db2.gz VJEJKXJJYHQOCL-IHLOFXLRSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NC(C)=O ZINC000225321856 571677122 /nfs/dbraw/zinc/67/71/22/571677122.db2.gz ZKNUKGKWIIKZJX-LOYHVIPDSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NC(C)=O ZINC000225321538 571677258 /nfs/dbraw/zinc/67/72/58/571677258.db2.gz VJEJKXJJYHQOCL-LOYHVIPDSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NC(C)=O ZINC000225322136 571677388 /nfs/dbraw/zinc/67/73/88/571677388.db2.gz FCCFWZYJFRWGFQ-IGYGKHONSA-N 0 0 553.732 6.559 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225323309 571679088 /nfs/dbraw/zinc/67/90/88/571679088.db2.gz VRTXBZODWJPAPV-BVRKHOPBSA-N 0 0 553.732 6.504 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NC(C)=O ZINC000225323043 571679123 /nfs/dbraw/zinc/67/91/23/571679123.db2.gz FEXUKFVMXLWJFS-WDYNHAJCSA-N 0 0 576.122 6.295 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NC(C)=O ZINC000225323656 571679547 /nfs/dbraw/zinc/67/95/47/571679547.db2.gz DZYIZTFDDJQEQC-SXOMAYOGSA-N 0 0 526.666 5.337 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225332918 571690949 /nfs/dbraw/zinc/69/09/49/571690949.db2.gz UMBVASMQQGJAOT-WDYNHAJCSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1F ZINC000225343772 571702878 /nfs/dbraw/zinc/70/28/78/571702878.db2.gz OCPHJFDVSGDMSK-IZLXSDGUSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000225344194 571703374 /nfs/dbraw/zinc/70/33/74/571703374.db2.gz JGFVWFCUTFDIAO-WUFINQPMSA-N 0 0 517.098 7.107 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346334 571706360 /nfs/dbraw/zinc/70/63/60/571706360.db2.gz HVPQXZLHDVPVLY-ZWXJPIIXSA-N 0 0 553.776 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225346903 571706959 /nfs/dbraw/zinc/70/69/59/571706959.db2.gz MLHWBSKBLUCFGO-KYJUHHDHSA-N 0 0 510.707 7.070 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348001 571708334 /nfs/dbraw/zinc/70/83/34/571708334.db2.gz LFJDHRYBBYZWOX-URLMMPGGSA-N 0 0 557.676 6.370 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225359173 571720618 /nfs/dbraw/zinc/72/06/18/571720618.db2.gz AAOFWNZTTLLYBG-VMPREFPWSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccn1 ZINC000225364269 571726763 /nfs/dbraw/zinc/72/67/63/571726763.db2.gz MOCUVWKDVGYAMX-VMPREFPWSA-N 0 0 509.679 6.383 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225368135 571732109 /nfs/dbraw/zinc/73/21/09/571732109.db2.gz SFWQEUAYMCZYNA-SZAHLOSFSA-N 0 0 558.751 8.141 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1 ZINC000225368527 571732899 /nfs/dbraw/zinc/73/28/99/571732899.db2.gz SESRJJNCOIKUDP-IHLOFXLRSA-N 0 0 508.691 6.988 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C ZINC000225368688 571733325 /nfs/dbraw/zinc/73/33/25/571733325.db2.gz AWXOUUQCBLEQJB-IOWSJCHKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225370190 571735102 /nfs/dbraw/zinc/73/51/02/571735102.db2.gz VPPFDBKAEOVBDP-IHLOFXLRSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225370650 571735740 /nfs/dbraw/zinc/73/57/40/571735740.db2.gz UFJHKIPLXQTIFQ-IHLOFXLRSA-N 0 0 587.587 7.750 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372145 571737550 /nfs/dbraw/zinc/73/75/50/571737550.db2.gz IQFWKVICFRMLHW-NOCHOARKSA-N 0 0 579.814 7.834 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225372464 571737848 /nfs/dbraw/zinc/73/78/48/571737848.db2.gz KHZWVKNZTIQQID-XZWHSSHBSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225372756 571738430 /nfs/dbraw/zinc/73/84/30/571738430.db2.gz XNYASLQIDIWCJM-AJQTZOPKSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225373242 571739135 /nfs/dbraw/zinc/73/91/35/571739135.db2.gz PTVDGZSUPOFULP-CONSDPRKSA-N 0 0 552.700 6.716 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374197 571740141 /nfs/dbraw/zinc/74/01/41/571740141.db2.gz NUNYWSOBVJYBIF-FIRIVFDPSA-N 0 0 573.162 7.650 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374288 571740539 /nfs/dbraw/zinc/74/05/39/571740539.db2.gz NUNYWSOBVJYBIF-CONSDPRKSA-N 0 0 573.162 7.650 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225374642 571740589 /nfs/dbraw/zinc/74/05/89/571740589.db2.gz SZFLWXUECSVZGV-IHLOFXLRSA-N 0 0 523.706 6.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000260851213 571751406 /nfs/dbraw/zinc/75/14/06/571751406.db2.gz JLPSAGMSDRBSIE-URLMMPGGSA-N 0 0 541.721 5.784 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851095 571751423 /nfs/dbraw/zinc/75/14/23/571751423.db2.gz FANTVZIUQJSJHY-FQLXRVMXSA-N 0 0 560.167 6.676 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225383232 571751470 /nfs/dbraw/zinc/75/14/70/571751470.db2.gz DHUSDAFMZJDZEU-FIRIVFDPSA-N 0 0 566.727 6.774 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NS(C)(=O)=O ZINC000260851217 571751528 /nfs/dbraw/zinc/75/15/28/571751528.db2.gz KMXAKVYJRISFHL-KAYWLYCHSA-N 0 0 598.194 5.924 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NC(C)=O ZINC000260852577 571752836 /nfs/dbraw/zinc/75/28/36/571752836.db2.gz SHCYJFHFCAONPW-VSGBNLITSA-N 0 0 527.694 5.857 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852598 571752845 /nfs/dbraw/zinc/75/28/45/571752845.db2.gz TVDXTDUDOBYYNR-WUFINQPMSA-N 0 0 560.167 7.138 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260852627 571753400 /nfs/dbraw/zinc/75/34/00/571753400.db2.gz VBXFRVHLIPXLKN-NSOVKSMOSA-N 0 0 564.130 6.507 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225389695 571758738 /nfs/dbraw/zinc/75/87/38/571758738.db2.gz AMFDMZCXAVGZPE-CLJLJLNGSA-N 0 0 568.124 5.397 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225393826 571763021 /nfs/dbraw/zinc/76/30/21/571763021.db2.gz SNRROXYFJFQGNZ-SVBPBHIXSA-N 0 0 531.707 5.346 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225394261 571763427 /nfs/dbraw/zinc/76/34/27/571763427.db2.gz GCPXUFHVYNJXEY-VSGBNLITSA-N 0 0 545.734 5.600 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225395162 571764418 /nfs/dbraw/zinc/76/44/18/571764418.db2.gz PIMIPXFKDRANMT-CLJLJLNGSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br ZINC000225395564 571764609 /nfs/dbraw/zinc/76/46/09/571764609.db2.gz GQOMXXIOENUUCV-FTJBHMTQSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225395698 571764769 /nfs/dbraw/zinc/76/47/69/571764769.db2.gz ANBGEEUWJPEFMH-CLJLJLNGSA-N 0 0 596.576 5.800 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225396445 571766193 /nfs/dbraw/zinc/76/61/93/571766193.db2.gz NDFWZOIQRGZNRN-SXOMAYOGSA-N 0 0 547.706 5.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397481 571767083 /nfs/dbraw/zinc/76/70/83/571767083.db2.gz XODCTZSMTAFCBX-LOYHVIPDSA-N 0 0 588.803 5.884 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225398222 571768205 /nfs/dbraw/zinc/76/82/05/571768205.db2.gz OUJZPEWDETZOIG-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225398333 571768290 /nfs/dbraw/zinc/76/82/90/571768290.db2.gz OUJZPEWDETZOIG-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1C ZINC000225398159 571768344 /nfs/dbraw/zinc/76/83/44/571768344.db2.gz LSCPHTTYRFZVRT-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225398957 571768737 /nfs/dbraw/zinc/76/87/37/571768737.db2.gz YLQRVQWPUSMLGK-XRKRLSELSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NS(C)(=O)=O ZINC000225424236 571790429 /nfs/dbraw/zinc/79/04/29/571790429.db2.gz NBZLDMRXCCAYPK-SVBPBHIXSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225424793 571791151 /nfs/dbraw/zinc/79/11/51/571791151.db2.gz FCSXPISCVVNYPB-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225425695 571791957 /nfs/dbraw/zinc/79/19/57/571791957.db2.gz PWIPUORJFLBKHN-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426326 571793052 /nfs/dbraw/zinc/79/30/52/571793052.db2.gz NKYQESCQRWAUOX-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428475 571795689 /nfs/dbraw/zinc/79/56/89/571795689.db2.gz SGXCGGCVCQTPQV-SXOMAYOGSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225429851 571797446 /nfs/dbraw/zinc/79/74/46/571797446.db2.gz KEOSFBZEJYAGDZ-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430165 571797862 /nfs/dbraw/zinc/79/78/62/571797862.db2.gz YDTSNQBPAGMYPP-JDXGNMNLSA-N 0 0 589.787 5.972 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225446005 571817985 /nfs/dbraw/zinc/81/79/85/571817985.db2.gz XVKHDIINHVKJQG-SXOMAYOGSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225453176 571824989 /nfs/dbraw/zinc/82/49/89/571824989.db2.gz XYIJDCWUOCZHBN-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225454116 571825546 /nfs/dbraw/zinc/82/55/46/571825546.db2.gz OSBJFKOEFWUQDW-RRPNLBNLSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225453953 571825626 /nfs/dbraw/zinc/82/56/26/571825626.db2.gz PVVNTUXDCVAEBQ-RRPNLBNLSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225454916 571826808 /nfs/dbraw/zinc/82/68/08/571826808.db2.gz ICUFTRKJZNBVRV-RRPNLBNLSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225455109 571826823 /nfs/dbraw/zinc/82/68/23/571826823.db2.gz FOGHGXPCDAKNEF-SVBPBHIXSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225455564 571827054 /nfs/dbraw/zinc/82/70/54/571827054.db2.gz LIIMSZWJOLTPHR-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458557 571830466 /nfs/dbraw/zinc/83/04/66/571830466.db2.gz XWJYGIXOQTYWFR-WUFINQPMSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000260909979 571836436 /nfs/dbraw/zinc/83/64/36/571836436.db2.gz BIFRWAYSIDXLAL-BAGWDXEUSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260910012 571836586 /nfs/dbraw/zinc/83/65/86/571836586.db2.gz BLDPLUUCXMSLMJ-IZZNHLLZSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)cc1 ZINC000260911965 571841222 /nfs/dbraw/zinc/84/12/22/571841222.db2.gz DKIWENXQQRHBJV-JYBFMWMBSA-N 0 0 586.205 7.502 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NS(C)(=O)=O ZINC000225472216 571842391 /nfs/dbraw/zinc/84/23/91/571842391.db2.gz XCRUSCUGJQLYCK-SVBPBHIXSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NS(C)(=O)=O ZINC000225478954 571849138 /nfs/dbraw/zinc/84/91/38/571849138.db2.gz AGAVMSARTKQLHK-RRPNLBNLSA-N 0 0 547.706 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NS(C)(=O)=O ZINC000225480150 571850466 /nfs/dbraw/zinc/85/04/66/571850466.db2.gz PXSAYYACWBEFRP-RRPNLBNLSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c(OC)c1 ZINC000260919520 571853521 /nfs/dbraw/zinc/85/35/21/571853521.db2.gz LWUZAYIKCUVRCC-KAYWLYCHSA-N 0 0 500.668 5.908 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225482883 571853537 /nfs/dbraw/zinc/85/35/37/571853537.db2.gz HMUUOZCLKOQRAM-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483064 571853835 /nfs/dbraw/zinc/85/38/35/571853835.db2.gz QNBPRBMNFPNRAZ-XRKRLSELSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000260920998 571856040 /nfs/dbraw/zinc/85/60/40/571856040.db2.gz OBNBZSSLZQAVTP-WHYVHFBVSA-N 0 0 620.650 8.161 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000260920967 571856047 /nfs/dbraw/zinc/85/60/47/571856047.db2.gz NVTHBBPSQMGXMW-BAGWDXEUSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000260922757 571859693 /nfs/dbraw/zinc/85/96/93/571859693.db2.gz RMXHEKQADHXEJN-BJUYILBYSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000260924074 571861852 /nfs/dbraw/zinc/86/18/52/571861852.db2.gz RPEBLUQOYCRKJG-TUTIZHAESA-N 0 0 571.194 7.197 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000260924137 571862193 /nfs/dbraw/zinc/86/21/93/571862193.db2.gz RTSZBRAPTQPOIG-JYBFMWMBSA-N 0 0 570.206 7.802 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21 ZINC000260925507 571864509 /nfs/dbraw/zinc/86/45/09/571864509.db2.gz UTGMTRWIDBNMFI-IZLXSDGUSA-N 0 0 517.142 7.667 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260926996 571867956 /nfs/dbraw/zinc/86/79/56/571867956.db2.gz XQPXAQXXBFNCHK-IZZNHLLZSA-N 0 0 505.087 6.552 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260927152 571868646 /nfs/dbraw/zinc/86/86/46/571868646.db2.gz YKDOBJKMDIEDGV-WDYNHAJCSA-N 0 0 525.722 5.727 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1Br ZINC000260927575 571869599 /nfs/dbraw/zinc/86/95/99/571869599.db2.gz YZLCOOABFGFJCB-CLJLJLNGSA-N 0 0 533.539 6.961 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225502895 571873250 /nfs/dbraw/zinc/87/32/50/571873250.db2.gz HETBSCRTCCTDER-CONSDPRKSA-N 0 0 531.685 6.254 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225504145 571874708 /nfs/dbraw/zinc/87/47/08/571874708.db2.gz DPLYDQFRBCYUMG-FQLXRVMXSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225505604 571875951 /nfs/dbraw/zinc/87/59/51/571875951.db2.gz PPBUYYXNSVYNKC-SVBPBHIXSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225507646 571878619 /nfs/dbraw/zinc/87/86/19/571878619.db2.gz VDPDLJZNGIEBTB-LMSSTIIKSA-N 0 0 509.679 5.717 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225508968 571880111 /nfs/dbraw/zinc/88/01/11/571880111.db2.gz PRTDJRFMUGQHSJ-WUFINQPMSA-N 0 0 546.096 5.762 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509260 571880535 /nfs/dbraw/zinc/88/05/35/571880535.db2.gz SGLIGKHFBGAZCL-MFMCTBQISA-N 0 0 523.706 5.971 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000225519233 571888594 /nfs/dbraw/zinc/88/85/94/571888594.db2.gz RAQQTIFIJOFNBR-UHFFFAOYSA-N 0 0 514.091 5.315 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225522143 571890914 /nfs/dbraw/zinc/89/09/14/571890914.db2.gz AXPNOELXSGTNMK-ACHIHNKUSA-N 0 0 580.758 5.327 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C ZINC000225527839 571894351 /nfs/dbraw/zinc/89/43/51/571894351.db2.gz CZXYXLWJCVCKDX-URLMMPGGSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000225527999 571894478 /nfs/dbraw/zinc/89/44/78/571894478.db2.gz JPRZPGIVDUAKLO-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225528885 571895636 /nfs/dbraw/zinc/89/56/36/571895636.db2.gz ZXFUJOMMVYOJKQ-VSGBNLITSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225529025 571895936 /nfs/dbraw/zinc/89/59/36/571895936.db2.gz SFDYAJZIOBNVEU-WUFINQPMSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225530409 571897185 /nfs/dbraw/zinc/89/71/85/571897185.db2.gz AFEJOIUYYUIZSN-NSOVKSMOSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225531153 571897790 /nfs/dbraw/zinc/89/77/90/571897790.db2.gz ZVSIRSAWHVABHI-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225531334 571898336 /nfs/dbraw/zinc/89/83/36/571898336.db2.gz HYPIJORWLWIRIR-FQLXRVMXSA-N 0 0 570.675 5.407 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ncccc1C ZINC000225532265 571899032 /nfs/dbraw/zinc/89/90/32/571899032.db2.gz NQBKPZAORCYJNY-SVBPBHIXSA-N 0 0 510.667 5.194 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225539732 571904916 /nfs/dbraw/zinc/90/49/16/571904916.db2.gz ZWJDVEGFAMKASH-WDYNHAJCSA-N 0 0 553.688 5.277 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225539852 571905470 /nfs/dbraw/zinc/90/54/70/571905470.db2.gz IWZRXSGLSCXVQJ-WDYNHAJCSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225542335 571907318 /nfs/dbraw/zinc/90/73/18/571907318.db2.gz BMLZRFGHWCHQFY-KYJUHHDHSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225542995 571907583 /nfs/dbraw/zinc/90/75/83/571907583.db2.gz SIWOSEMTWJWQOT-IHLOFXLRSA-N 0 0 539.749 6.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225548887 571911456 /nfs/dbraw/zinc/91/14/56/571911456.db2.gz UPLOKYWEHPUDJB-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225548858 571911469 /nfs/dbraw/zinc/91/14/69/571911469.db2.gz UPLOKYWEHPUDJB-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225549209 571912022 /nfs/dbraw/zinc/91/20/22/571912022.db2.gz HWKQMSMINGJTGV-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225549446 571912084 /nfs/dbraw/zinc/91/20/84/571912084.db2.gz GKPUFEUIRPMOMV-KYJUHHDHSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000225550593 571913219 /nfs/dbraw/zinc/91/32/19/571913219.db2.gz WOKCIHZNUDAWAI-CONSDPRKSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000225550684 571913703 /nfs/dbraw/zinc/91/37/03/571913703.db2.gz WOKCIHZNUDAWAI-FIRIVFDPSA-N 0 0 553.732 6.061 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000225551249 571914090 /nfs/dbraw/zinc/91/40/90/571914090.db2.gz UUAMYGDUNXFVGD-HEVIKAOCSA-N 0 0 594.829 6.899 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225551118 571914185 /nfs/dbraw/zinc/91/41/85/571914185.db2.gz BAIZUAVBOLPZOV-ACHIHNKUSA-N 0 0 566.775 6.119 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225551463 571914615 /nfs/dbraw/zinc/91/46/15/571914615.db2.gz MWDXYGIAPSAXRK-LOYHVIPDSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225552093 571914948 /nfs/dbraw/zinc/91/49/48/571914948.db2.gz NEUPIEFUOODCDX-AJQTZOPKSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225551792 571915068 /nfs/dbraw/zinc/91/50/68/571915068.db2.gz NJZJWTJNCPFJHT-ZWXJPIIXSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225552559 571915385 /nfs/dbraw/zinc/91/53/85/571915385.db2.gz MRDKOTRULMLWTE-FIRIVFDPSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225553338 571916265 /nfs/dbraw/zinc/91/62/65/571916265.db2.gz PNYNGCDLFJGDIQ-JSOSNVBQSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000225561904 571923908 /nfs/dbraw/zinc/92/39/08/571923908.db2.gz IJRFUQPVLYLCFK-JSOSNVBQSA-N 0 0 581.742 5.839 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000225561788 571923997 /nfs/dbraw/zinc/92/39/97/571923997.db2.gz QCSGGKLYOAPZPJ-JSOSNVBQSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000225566184 571928374 /nfs/dbraw/zinc/92/83/74/571928374.db2.gz QEFGQYBKIOIBMX-VSGBNLITSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000225569705 571931731 /nfs/dbraw/zinc/93/17/31/571931731.db2.gz MRCYXRZTORXTGU-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225571924 571933135 /nfs/dbraw/zinc/93/31/35/571933135.db2.gz DZHOXQZASUOJNS-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225571900 571933178 /nfs/dbraw/zinc/93/31/78/571933178.db2.gz DZHOXQZASUOJNS-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572593 571933481 /nfs/dbraw/zinc/93/34/81/571933481.db2.gz KGSWXZGRFQFZQQ-LQJZCPKCSA-N 0 0 580.802 6.645 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572538 571933595 /nfs/dbraw/zinc/93/35/95/571933595.db2.gz KGSWXZGRFQFZQQ-SAIUNTKASA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225573332 571934016 /nfs/dbraw/zinc/93/40/16/571934016.db2.gz HTPMJSSWMBEKHL-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000225591064 571947293 /nfs/dbraw/zinc/94/72/93/571947293.db2.gz XNRCHGPQPNRLOK-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Cl ZINC000225591244 571947334 /nfs/dbraw/zinc/94/73/34/571947334.db2.gz RGJJWLIHZSCQFR-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225591523 571947645 /nfs/dbraw/zinc/94/76/45/571947645.db2.gz IDXMLSTXVSLABT-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000225591745 571947761 /nfs/dbraw/zinc/94/77/61/571947761.db2.gz ZQDHIAYUMCBCSH-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225592192 571947962 /nfs/dbraw/zinc/94/79/62/571947962.db2.gz WODURLQTQLXCFG-VSGBNLITSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225592425 571948069 /nfs/dbraw/zinc/94/80/69/571948069.db2.gz SNWKQWWEMBEJPV-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225592367 571948160 /nfs/dbraw/zinc/94/81/60/571948160.db2.gz SNWKQWWEMBEJPV-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225593302 571948918 /nfs/dbraw/zinc/94/89/18/571948918.db2.gz KTTNMRGKBJSLSF-VSGBNLITSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225593440 571949240 /nfs/dbraw/zinc/94/92/40/571949240.db2.gz YSPFWJMMBIFTJR-VSGBNLITSA-N 0 0 582.532 6.936 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225594619 571949851 /nfs/dbraw/zinc/94/98/51/571949851.db2.gz ZCVGCNUCSBYJQN-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225595372 571950365 /nfs/dbraw/zinc/95/03/65/571950365.db2.gz BXBBAUYFSXRIKH-VSGBNLITSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ncccc1C ZINC000225595516 571950708 /nfs/dbraw/zinc/95/07/08/571950708.db2.gz JTRWUAGGHYJBGX-SVBPBHIXSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225605955 571958982 /nfs/dbraw/zinc/95/89/82/571958982.db2.gz AOGKYWAHSQBDBP-VSGBNLITSA-N 0 0 581.639 6.648 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000225606776 571959349 /nfs/dbraw/zinc/95/93/49/571959349.db2.gz VBXFRVHLIPXLKN-VSGBNLITSA-N 0 0 564.130 6.507 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(O)cc1 ZINC000225612654 571964243 /nfs/dbraw/zinc/96/42/43/571964243.db2.gz ZRYKLPCWHVDHIL-NSOVKSMOSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000225612085 571964286 /nfs/dbraw/zinc/96/42/86/571964286.db2.gz XNMVSMYRHJHQCA-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000225612424 571964309 /nfs/dbraw/zinc/96/43/09/571964309.db2.gz FMQPUHHXCNBTHK-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1C ZINC000225613887 571965059 /nfs/dbraw/zinc/96/50/59/571965059.db2.gz SLQAZLLABCBCHY-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cccc1C ZINC000225614137 571965145 /nfs/dbraw/zinc/96/51/45/571965145.db2.gz QWYPAVNKSFUXMK-PQHLKRTFSA-N 0 0 541.696 6.246 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613472 571965219 /nfs/dbraw/zinc/96/52/19/571965219.db2.gz JBDFKNIMVZSJSI-ZWXJPIIXSA-N 0 0 584.765 6.476 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000225614951 571965967 /nfs/dbraw/zinc/96/59/67/571965967.db2.gz ZPCZQMFYJKGPBH-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1C ZINC000225614711 571966067 /nfs/dbraw/zinc/96/60/67/571966067.db2.gz VZKCHVLNJOHFGH-URLMMPGGSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615346 571966146 /nfs/dbraw/zinc/96/61/46/571966146.db2.gz XNNHHLBYNKVDEB-VMPREFPWSA-N 0 0 578.113 6.292 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ncccc1C ZINC000225615771 571966321 /nfs/dbraw/zinc/96/63/21/571966321.db2.gz UBKDQKNGTQGOPD-KAYWLYCHSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cn1 ZINC000225615969 571966724 /nfs/dbraw/zinc/96/67/24/571966724.db2.gz ZCRRGQSXXATMCB-NSOVKSMOSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225629151 571980898 /nfs/dbraw/zinc/98/08/98/571980898.db2.gz IJMDDKMCCZAKSZ-LOYHVIPDSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225630079 571982456 /nfs/dbraw/zinc/98/24/56/571982456.db2.gz RUJDFQGIEXLUFN-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225631413 571983771 /nfs/dbraw/zinc/98/37/71/571983771.db2.gz CEHWYNQKCBQOIQ-LOYHVIPDSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225633171 571984912 /nfs/dbraw/zinc/98/49/12/571984912.db2.gz VRUAVXSJSGMAME-LOYHVIPDSA-N 0 0 538.721 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ncccc1C ZINC000225633336 571984919 /nfs/dbraw/zinc/98/49/19/571984919.db2.gz DUAYGPWXHKYDTM-URLMMPGGSA-N 0 0 538.721 5.811 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632987 571984934 /nfs/dbraw/zinc/98/49/34/571984934.db2.gz PWWJYWRQXZTCLL-IOWSJCHKSA-N 0 0 598.729 6.024 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225639266 571990485 /nfs/dbraw/zinc/99/04/85/571990485.db2.gz OKJKKKXVYSJOSH-FIRIVFDPSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000225642343 571992362 /nfs/dbraw/zinc/99/23/62/571992362.db2.gz KOPMEAZIPOUTEM-VMPREFPWSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000225643276 571992756 /nfs/dbraw/zinc/99/27/56/571992756.db2.gz UBKAVVFTIAPYJU-NSOVKSMOSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225647164 571995940 /nfs/dbraw/zinc/99/59/40/571995940.db2.gz OMTXKJDDKQAFJV-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1F ZINC000225647129 571995999 /nfs/dbraw/zinc/99/59/99/571995999.db2.gz NOKXRKKJXVTDQO-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1O ZINC000225648102 571997085 /nfs/dbraw/zinc/99/70/85/571997085.db2.gz XKCOIZIQHAGTJI-WDYNHAJCSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225648950 571997765 /nfs/dbraw/zinc/99/77/65/571997765.db2.gz JZXKHEQMWJIMTO-CONSDPRKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225648883 571997820 /nfs/dbraw/zinc/99/78/20/571997820.db2.gz JZXKHEQMWJIMTO-FIRIVFDPSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225649095 571998172 /nfs/dbraw/zinc/99/81/72/571998172.db2.gz AOTVMLNGYXDQMK-FQLXRVMXSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225650082 571998428 /nfs/dbraw/zinc/99/84/28/571998428.db2.gz IYNONTTYZTUGPU-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225649637 571998444 /nfs/dbraw/zinc/99/84/44/571998444.db2.gz BFZXBXXZHULKFM-SMCANUKXSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225650381 571998829 /nfs/dbraw/zinc/99/88/29/571998829.db2.gz FDCXFXGOEWZTDF-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650544 571998944 /nfs/dbraw/zinc/99/89/44/571998944.db2.gz KCEBPEVAZOGAEF-IHLOFXLRSA-N 0 0 574.150 6.461 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225657999 572004280 /nfs/dbraw/zinc/00/42/80/572004280.db2.gz OOYDDYUHPXMNGE-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225665501 572009012 /nfs/dbraw/zinc/00/90/12/572009012.db2.gz LXKIVUABNVFZFW-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225665432 572009020 /nfs/dbraw/zinc/00/90/20/572009020.db2.gz GCQDOEQRXRFAFT-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225666327 572009379 /nfs/dbraw/zinc/00/93/79/572009379.db2.gz XHGSWVZORIKIAD-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225666817 572009384 /nfs/dbraw/zinc/00/93/84/572009384.db2.gz OGFYFHTVJOZRRB-FQLXRVMXSA-N 0 0 560.123 6.152 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225666203 572009476 /nfs/dbraw/zinc/00/94/76/572009476.db2.gz GJHAXURRFJVXCN-CONSDPRKSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225667751 572009767 /nfs/dbraw/zinc/00/97/67/572009767.db2.gz SWAMANMHJGOQLS-IHLOFXLRSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225667264 572009846 /nfs/dbraw/zinc/00/98/46/572009846.db2.gz ZDQWEESISROZQL-WDYNHAJCSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225667808 572009893 /nfs/dbraw/zinc/00/98/93/572009893.db2.gz SWAMANMHJGOQLS-KYJUHHDHSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225667777 572009895 /nfs/dbraw/zinc/00/98/95/572009895.db2.gz SWAMANMHJGOQLS-XZWHSSHBSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225667652 572009918 /nfs/dbraw/zinc/00/99/18/572009918.db2.gz JWRABYOWJQIADW-XZWHSSHBSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225668667 572010695 /nfs/dbraw/zinc/01/06/95/572010695.db2.gz MHWVOCRQWWLYCJ-WDYNHAJCSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225668699 572010826 /nfs/dbraw/zinc/01/08/26/572010826.db2.gz MHWVOCRQWWLYCJ-URLMMPGGSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225669109 572010880 /nfs/dbraw/zinc/01/08/80/572010880.db2.gz DOFDZIUPULVBMJ-BVRKHOPBSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225669381 572011232 /nfs/dbraw/zinc/01/12/32/572011232.db2.gz VWRWXJCFILYHLB-LOYHVIPDSA-N 0 0 569.687 5.228 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000225669765 572011567 /nfs/dbraw/zinc/01/15/67/572011567.db2.gz PXCAEQZNWKKLBK-LOYHVIPDSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225669920 572011597 /nfs/dbraw/zinc/01/15/97/572011597.db2.gz BPKPNVVJSYOLAT-IHLOFXLRSA-N 0 0 574.150 6.461 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225670477 572011965 /nfs/dbraw/zinc/01/19/65/572011965.db2.gz BJLROBYZDMZIEB-CDZUIXILSA-N 0 0 567.759 6.370 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225670646 572011980 /nfs/dbraw/zinc/01/19/80/572011980.db2.gz DZRYSCBTOLGUDZ-NSOVKSMOSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)cc1 ZINC000225677628 572016926 /nfs/dbraw/zinc/01/69/26/572016926.db2.gz CFWUTMWXUKBVNJ-URLMMPGGSA-N 0 0 541.677 5.199 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225678151 572017158 /nfs/dbraw/zinc/01/71/58/572017158.db2.gz LVTDDLJFWDTLLH-KYJUHHDHSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225680973 572018671 /nfs/dbraw/zinc/01/86/71/572018671.db2.gz FANTVZIUQJSJHY-WDYNHAJCSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000225685078 572021509 /nfs/dbraw/zinc/02/15/09/572021509.db2.gz CQJOSZXZRXAEEB-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225686395 572022799 /nfs/dbraw/zinc/02/27/99/572022799.db2.gz VGNXPEAPWAJETI-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225686640 572023262 /nfs/dbraw/zinc/02/32/62/572023262.db2.gz IETLVVCGIZOHHX-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687370 572023447 /nfs/dbraw/zinc/02/34/47/572023447.db2.gz KERQDLAEHFPLSS-JHOUSYSJSA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225687625 572023902 /nfs/dbraw/zinc/02/39/02/572023902.db2.gz UWFVTFGLYGLDMQ-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225687829 572024003 /nfs/dbraw/zinc/02/40/03/572024003.db2.gz VKSFVIJJMIOINQ-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225688182 572024419 /nfs/dbraw/zinc/02/44/19/572024419.db2.gz VSMMVUPQCOECHM-XZWHSSHBSA-N 0 0 553.688 5.528 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)cc1 ZINC000225696452 572028823 /nfs/dbraw/zinc/02/88/23/572028823.db2.gz JCRHPHIELWACRW-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225699239 572030644 /nfs/dbraw/zinc/03/06/44/572030644.db2.gz TUKXZEJCSFEVNW-MPQUPPDSSA-N 0 0 630.818 6.480 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000225704144 572034738 /nfs/dbraw/zinc/03/47/38/572034738.db2.gz XOWGRHYCKHSCOE-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000225703970 572034881 /nfs/dbraw/zinc/03/48/81/572034881.db2.gz RTKHYKLTLQJJLH-AJQTZOPKSA-N 0 0 545.712 6.644 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225704581 572035208 /nfs/dbraw/zinc/03/52/08/572035208.db2.gz BIROKEFKZIVXPK-KKLWWLSJSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1F ZINC000225704726 572035577 /nfs/dbraw/zinc/03/55/77/572035577.db2.gz ZKDWXEIQNKIUBU-ZWXJPIIXSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000225704946 572035653 /nfs/dbraw/zinc/03/56/53/572035653.db2.gz KLOHAVXDVKFYSO-ZWXJPIIXSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Br)c1 ZINC000225705508 572035968 /nfs/dbraw/zinc/03/59/68/572035968.db2.gz XWNIBFGIVOMKQF-ZWXJPIIXSA-N 0 0 624.608 7.406 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225706012 572036304 /nfs/dbraw/zinc/03/63/04/572036304.db2.gz DGKCCZXTUMKLHV-JHOUSYSJSA-N 0 0 575.738 6.652 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000225705676 572036390 /nfs/dbraw/zinc/03/63/90/572036390.db2.gz VAKJYWMCVPIUFQ-ACHIHNKUSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000225706766 572037121 /nfs/dbraw/zinc/03/71/21/572037121.db2.gz XZKFGPFARPHANT-ROJLCIKYSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000225707369 572037464 /nfs/dbraw/zinc/03/74/64/572037464.db2.gz NMMFIQZZKVHCFJ-NOCHOARKSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708270 572038581 /nfs/dbraw/zinc/03/85/81/572038581.db2.gz NALKTWHXTWRATD-CZNDPXEESA-N 0 0 610.183 7.306 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccn1 ZINC000225708670 572038940 /nfs/dbraw/zinc/03/89/40/572038940.db2.gz PFRXOCCXFRQBAI-AJQTZOPKSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)n1-c1ccccc1 ZINC000225715318 572043852 /nfs/dbraw/zinc/04/38/52/572043852.db2.gz BHYNFPPCKVOXSD-CONSDPRKSA-N 0 0 531.685 6.335 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000225715602 572044056 /nfs/dbraw/zinc/04/40/56/572044056.db2.gz ABIGLYFTDOJLNZ-CZNDPXEESA-N 0 0 603.748 6.430 40 10 KKCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225795671 572070731 /nfs/dbraw/zinc/07/07/31/572070731.db2.gz XGZHDIRXNKJAGJ-UHFFFAOYSA-N 0 0 516.088 5.089 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000225860725 572078211 /nfs/dbraw/zinc/07/82/11/572078211.db2.gz GEFWYYHUVALLDQ-UHFFFAOYSA-N 0 0 500.064 5.082 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954116 572086296 /nfs/dbraw/zinc/08/62/96/572086296.db2.gz WFSWMDAPCUXANE-OAQYLSRUSA-N 0 0 502.688 5.735 40 10 KKCBRN CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952465 572086375 /nfs/dbraw/zinc/08/63/75/572086375.db2.gz NSMAURMQIWWHBG-UHFFFAOYSA-N 0 0 570.811 5.126 40 10 KKCBRN CC1CCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952519 572086507 /nfs/dbraw/zinc/08/65/07/572086507.db2.gz MERGBHCTRWAXPM-UHFFFAOYSA-N 0 0 527.742 5.320 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000226325670 572136096 /nfs/dbraw/zinc/13/60/96/572136096.db2.gz SZHOIQKBLFLKSG-WKXUCIOFSA-N 0 0 518.352 5.029 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(C(C)(C)C)c1O ZINC000408526285 572157269 /nfs/dbraw/zinc/15/72/69/572157269.db2.gz AMJKLVSZEIDLQI-UYRXBGFRSA-N 0 0 504.515 7.156 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408533583 572184159 /nfs/dbraw/zinc/18/41/59/572184159.db2.gz ZFFMZPOJRWZLTQ-NSIKDUERSA-N 0 0 535.319 5.666 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538546 572198586 /nfs/dbraw/zinc/19/85/86/572198586.db2.gz OPDLVNKUYQMLEK-UHFFFAOYSA-N 0 0 567.063 5.210 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539000 572200422 /nfs/dbraw/zinc/20/04/22/572200422.db2.gz DGDZKQGKIFQHNR-YDZHTSKRSA-N 0 0 635.399 7.257 40 10 KKCBRN CCOc1cc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408539917 572203763 /nfs/dbraw/zinc/20/37/63/572203763.db2.gz KMWOQAIUTRVKTM-ANYBSYGZSA-N 0 0 518.613 7.049 40 10 KKCBRN COc1cc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539911 572203809 /nfs/dbraw/zinc/20/38/09/572203809.db2.gz ZXIHSLWAMVTCOC-UHFFFAOYSA-N 0 0 768.458 8.962 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540256 572205010 /nfs/dbraw/zinc/20/50/10/572205010.db2.gz PHJKEKVUJFBLGS-ZVHZXABRSA-N 0 0 586.529 6.503 40 10 KKCBRN COc1cc(COc2c(Cl)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540338 572205468 /nfs/dbraw/zinc/20/54/68/572205468.db2.gz QIXIKXOOWSQYDV-AFUMVMLFSA-N 0 0 553.036 5.622 40 10 KKCBRN CCOc1cc(COc2ccc(Cl)cc2/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540422 572205845 /nfs/dbraw/zinc/20/58/45/572205845.db2.gz RNXJFCHAHQAAEJ-CVKSISIWSA-N 0 0 537.037 6.003 40 10 KKCBRN COc1cc(COc2ccc(Br)cc2C=C2SC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408540552 572206051 /nfs/dbraw/zinc/20/60/51/572206051.db2.gz TZDOMERSEFPUQW-YDZHTSKRSA-N 0 0 542.476 6.105 40 10 KKCBRN CCCCCCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br ZINC000408540894 572206893 /nfs/dbraw/zinc/20/68/93/572206893.db2.gz WVCMRGOMCJCFPP-XNTDXEJSSA-N 0 0 504.244 5.277 40 10 KKCBRN COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408541547 572209010 /nfs/dbraw/zinc/20/90/10/572209010.db2.gz ZVFWISVQBPCRFM-USHMODERSA-N 0 0 583.482 7.422 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408551148 572235787 /nfs/dbraw/zinc/23/57/87/572235787.db2.gz LLFVQJGUNKVPLT-WGOQTCKBSA-N 0 0 533.625 5.471 40 10 KKCBRN O=C(COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552585 572238763 /nfs/dbraw/zinc/23/87/63/572238763.db2.gz KASHISQSKPMRNA-ULJHMMPZSA-N 0 0 542.422 6.845 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552918 572239545 /nfs/dbraw/zinc/23/95/45/572239545.db2.gz SHWFWIFJFVASTJ-NDENLUEZSA-N 0 0 510.377 5.826 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)S1 ZINC000408553018 572239854 /nfs/dbraw/zinc/23/98/54/572239854.db2.gz UJVGCDZRRQHALD-OMCISZLKSA-N 0 0 533.220 5.424 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553443 572240692 /nfs/dbraw/zinc/24/06/92/572240692.db2.gz WMSYCHIFELCQGV-UHFFFAOYSA-N 0 0 630.484 6.993 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553557 572241053 /nfs/dbraw/zinc/24/10/53/572241053.db2.gz XHTZOBXPLGBZHK-QGMBQPNBSA-N 0 0 587.279 5.279 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000408571868 572257335 /nfs/dbraw/zinc/25/73/35/572257335.db2.gz CZNYQRGESRJDPV-MYYYXRDXSA-N 0 0 518.660 5.731 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)SC2=S)cc1 ZINC000408571985 572257449 /nfs/dbraw/zinc/25/74/49/572257449.db2.gz DRADZZQQFKYSJZ-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4)c3)SC2=S)cc1 ZINC000408572358 572257749 /nfs/dbraw/zinc/25/77/49/572257749.db2.gz GKLBLZNUCDIZND-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(OC)c4)c3)SC2=S)cc1 ZINC000408572648 572258020 /nfs/dbraw/zinc/25/80/20/572258020.db2.gz HMRNXSIIONWVOD-UCQKPKSFSA-N 0 0 506.605 5.127 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000408573314 572258735 /nfs/dbraw/zinc/25/87/35/572258735.db2.gz JULKLUYBWHESAP-XYGWBWBKSA-N 0 0 518.660 5.677 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000408573714 572259106 /nfs/dbraw/zinc/25/91/06/572259106.db2.gz KCCJDGCKUYINJC-ODLFYWEKSA-N 0 0 505.459 5.385 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408574356 572259504 /nfs/dbraw/zinc/25/95/04/572259504.db2.gz LZBORRQBMZPSBV-OYKKKHCWSA-N 0 0 583.529 6.185 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000408574844 572260025 /nfs/dbraw/zinc/26/00/25/572260025.db2.gz MXWCJVVVCPKVQA-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000408575451 572260509 /nfs/dbraw/zinc/26/05/09/572260509.db2.gz LLAQWFCKZRKSTB-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000408575837 572260817 /nfs/dbraw/zinc/26/08/17/572260817.db2.gz OOVPFUIZALFGJT-MYYYXRDXSA-N 0 0 518.660 5.731 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000408576114 572261033 /nfs/dbraw/zinc/26/10/33/572261033.db2.gz PTHLBNXMNBHCGD-IWIPYMOSSA-N 0 0 520.632 5.123 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408577844 572262401 /nfs/dbraw/zinc/26/24/01/572262401.db2.gz UTKJIVVXMGMLRI-UCQKPKSFSA-N 0 0 569.502 5.877 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000408578856 572263308 /nfs/dbraw/zinc/26/33/08/572263308.db2.gz ZWQAFFUNZNNBPH-MTJSOVHGSA-N 0 0 624.365 7.188 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000408600169 572272438 /nfs/dbraw/zinc/27/24/38/572272438.db2.gz ABCNXLKJVCYDJK-UFFVCSGVSA-N 0 0 524.853 7.771 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408600534 572272585 /nfs/dbraw/zinc/27/25/85/572272585.db2.gz CQYADFVHINRWRJ-IWIPYMOSSA-N 0 0 563.517 6.849 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000253569371 572300352 /nfs/dbraw/zinc/30/03/52/572300352.db2.gz MGDRFYPNAQZMNX-VJGNERBWSA-N 0 0 594.417 5.937 40 10 KKCBRN O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408647261 572300389 /nfs/dbraw/zinc/30/03/89/572300389.db2.gz BLQJSTYZHBPSBD-ZMJJTKJPSA-N 0 0 675.612 8.724 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408662632 572309775 /nfs/dbraw/zinc/30/97/75/572309775.db2.gz GGYCSQCGUFKNNC-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1C ZINC000408664026 572310654 /nfs/dbraw/zinc/31/06/54/572310654.db2.gz ISVCIQQPBGXGHX-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408665497 572311423 /nfs/dbraw/zinc/31/14/23/572311423.db2.gz MCOFSCOBZASNKF-UHFFFAOYSA-N 0 0 516.981 6.576 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Oc4cccc5ccccc54)cc3)C(=O)[C@@H]2C1 ZINC000408677828 572319293 /nfs/dbraw/zinc/31/92/93/572319293.db2.gz FFCWVVIZUTXKST-XNMGPUDCSA-N 0 0 502.570 6.730 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Oc4cccc5ccccc54)cc3)C(=O)[C@H]2C1 ZINC000408677823 572319364 /nfs/dbraw/zinc/31/93/64/572319364.db2.gz FFCWVVIZUTXKST-BDYUSTAISA-N 0 0 502.570 6.730 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000260565122 572322618 /nfs/dbraw/zinc/32/26/18/572322618.db2.gz HBBYKYYHLHAUFM-LPANUZLBSA-N 0 0 521.683 6.179 40 10 KKCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000097957619 1069690688 /nfs/dbraw/zinc/69/06/88/1069690688.db2.gz FHASBCURURCAIU-CIAFOILYSA-N 0 0 594.468 5.379 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1Cl ZINC000102681245 1069706046 /nfs/dbraw/zinc/70/60/46/1069706046.db2.gz ANNALVSSOGNZAO-KGENOOAVSA-N 0 0 500.045 5.439 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S ZINC000102686753 1069706743 /nfs/dbraw/zinc/70/67/43/1069706743.db2.gz IZUQQPHNELCRLI-MSPRMREJSA-N 0 0 519.736 7.356 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 ZINC000103794293 1069713651 /nfs/dbraw/zinc/71/36/51/1069713651.db2.gz CGYPJXNJFMGKDR-MNKCWKNRSA-N 0 0 558.801 7.821 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(OC(F)F)cc1 ZINC000103796518 1069714235 /nfs/dbraw/zinc/71/42/35/1069714235.db2.gz DXJPKHZRFHETIR-ZNPGVSGMSA-N 0 0 590.362 7.769 40 10 KKCBRN CCc1ccc(C(=O)C(=NNc2ccc([N+](=O)[O-])cc2)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000103796079 1069714245 /nfs/dbraw/zinc/71/42/45/1069714245.db2.gz OIVZMEWMBXANMZ-GOKHRZPVSA-N 0 0 572.430 8.186 40 10 KKCBRN CCOC(=O)C1=C(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)S[C@H]2CCCC[C@H]12 ZINC000106956543 1069716139 /nfs/dbraw/zinc/71/61/39/1069716139.db2.gz OCOYFUKUEYWWIM-VJOYDTAOSA-N 0 0 537.128 5.128 40 10 KKCBRN COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 ZINC000408841364 1069745595 /nfs/dbraw/zinc/74/55/95/1069745595.db2.gz GMILAXOBDSIUCO-XSFVSMFZSA-N 0 0 512.201 6.055 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409136546 1069787283 /nfs/dbraw/zinc/78/72/83/1069787283.db2.gz XGFKVEWZCIZNEE-MTJSOVHGSA-N 0 0 504.450 5.138 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409142015 1069789256 /nfs/dbraw/zinc/78/92/56/1069789256.db2.gz KVIRUCWYWWXJRR-QRVIBDJDSA-N 0 0 509.425 6.084 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329474 1069805374 /nfs/dbraw/zinc/80/53/74/1069805374.db2.gz FXJVTIAQWYTWCV-FBHDLOMBSA-N 0 0 524.853 7.771 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408761214 1069853453 /nfs/dbraw/zinc/85/34/53/1069853453.db2.gz CLZFZBSMJHTXRC-RGVLZGJSSA-N 0 0 632.280 6.303 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408770124 1069878183 /nfs/dbraw/zinc/87/81/83/1069878183.db2.gz SZBVODVLLYIYQX-XDYZZPCYSA-N 0 0 612.582 7.042 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408772436 1069883886 /nfs/dbraw/zinc/88/38/86/1069883886.db2.gz LONOBLJRUKYILD-IMRQLAEWSA-N 0 0 526.589 5.288 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408774121 1069889058 /nfs/dbraw/zinc/88/90/58/1069889058.db2.gz AYFZJPYVSSVQPK-ULJHMMPZSA-N 0 0 591.458 5.743 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408778428 1069897063 /nfs/dbraw/zinc/89/70/63/1069897063.db2.gz FWRQVOCGSRAJCP-NYBYHOOQSA-N 0 0 570.696 5.641 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785563 1069914733 /nfs/dbraw/zinc/91/47/33/1069914733.db2.gz ZRPNMLSAVIBNLJ-POKSHJSXSA-N 0 0 622.678 5.390 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408812397 1069968595 /nfs/dbraw/zinc/96/85/95/1069968595.db2.gz LUMFJUDFDLRMFN-GAJWZXIISA-N 0 0 505.107 7.802 40 10 KKCBRN COc1cc(Br)cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000408824025 1069990883 /nfs/dbraw/zinc/99/08/83/1069990883.db2.gz PBUVTOBXFXHURH-UHFFFAOYSA-N 0 0 606.325 6.835 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821325 1069996761 /nfs/dbraw/zinc/99/67/61/1069996761.db2.gz GGWDRKPHIPGUKV-MRWVFDTMSA-N 0 0 583.754 5.610 40 10 KKCBRN O=C1C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408821606 1069998353 /nfs/dbraw/zinc/99/83/53/1069998353.db2.gz JJPDIMDBPNDORY-UHFFFAOYSA-N 0 0 582.512 7.745 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408826203 1070002874 /nfs/dbraw/zinc/00/28/74/1070002874.db2.gz KXQSHYZSOSLSRT-VSQRRKBNSA-N 0 0 672.634 7.092 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408832361 1070023089 /nfs/dbraw/zinc/02/30/89/1070023089.db2.gz SUYYFEVYFDOGIK-OGMUYLFESA-N 0 0 531.656 5.865 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408840746 1070043304 /nfs/dbraw/zinc/04/33/04/1070043304.db2.gz FJHYOLALPUXZLO-DEDYPNTBSA-N 0 0 542.227 6.063 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000408841881 1070045279 /nfs/dbraw/zinc/04/52/79/1070045279.db2.gz IKAIOKXCMZITKV-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(Br)c3)C2=O)c1 ZINC000408843065 1070042260 /nfs/dbraw/zinc/04/22/60/1070042260.db2.gz QCWQQARNZCWFRO-FYJGNVAPSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1 ZINC000408856673 1070066765 /nfs/dbraw/zinc/06/67/65/1070066765.db2.gz LCDWNLXVVIQUEO-BWRVLAQFSA-N 0 0 664.831 7.347 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000408856397 1070075703 /nfs/dbraw/zinc/07/57/03/1070075703.db2.gz GUIIMVVREAKRRD-RNHFSVANSA-N 0 0 588.283 7.468 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000408861317 1070077737 /nfs/dbraw/zinc/07/77/37/1070077737.db2.gz BWVSYAUETLADDJ-IMWIBFENSA-N 0 0 531.277 8.170 40 10 KKCBRN O=C1C(=Cc2c(Cc3ccccc3Cl)ccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408865110 1070082330 /nfs/dbraw/zinc/08/23/30/1070082330.db2.gz ARKNVZLJGGOILN-UHFFFAOYSA-N 0 0 559.090 7.832 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408866945 1070086745 /nfs/dbraw/zinc/08/67/45/1070086745.db2.gz INOKTBARECHUNK-NDENLUEZSA-N 0 0 584.385 5.313 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408869506 1070091290 /nfs/dbraw/zinc/09/12/90/1070091290.db2.gz RWVCFZPGHVIXGD-CFRMEGHHSA-N 0 0 541.595 6.911 40 10 KKCBRN Cc1cccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000408870619 1070093941 /nfs/dbraw/zinc/09/39/41/1070093941.db2.gz UBOREHQBEWDZDU-UHFFFAOYSA-N 0 0 522.988 6.811 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C1=O ZINC000408873720 1070099834 /nfs/dbraw/zinc/09/98/34/1070099834.db2.gz VECXRCDJCCWTNM-KSEXSDGBSA-N 0 0 588.564 6.013 40 10 KKCBRN CCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408874447 1070101647 /nfs/dbraw/zinc/10/16/47/1070101647.db2.gz BSYWUAULJZSYDY-UHFFFAOYSA-N 0 0 507.409 5.596 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880178 1070105704 /nfs/dbraw/zinc/10/57/04/1070105704.db2.gz GJDGGABRUDELLL-RDRPBHBLSA-N 0 0 665.595 7.472 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880165 1070105802 /nfs/dbraw/zinc/10/58/02/1070105802.db2.gz GHCDTLDYWDLIKF-UXHLAJHPSA-N 0 0 679.622 7.467 40 10 KKCBRN Cc1ccc2ccccc2c1COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408878778 1070115891 /nfs/dbraw/zinc/11/58/91/1070115891.db2.gz BAYILKORPATBTE-UHFFFAOYSA-N 0 0 554.671 7.476 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408883281 1070128606 /nfs/dbraw/zinc/12/86/06/1070128606.db2.gz UROCQMUUIMQXJE-UHFFFAOYSA-N 0 0 568.607 5.355 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408891040 1070133974 /nfs/dbraw/zinc/13/39/74/1070133974.db2.gz KFTKWWIKMPPJGN-UHFFFAOYSA-N 0 0 558.634 7.306 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901231 1070166704 /nfs/dbraw/zinc/16/67/04/1070166704.db2.gz CHKWSLUANYNRON-UDWIEESQSA-N 0 0 734.216 7.643 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901344 1070167715 /nfs/dbraw/zinc/16/77/15/1070167715.db2.gz DIGNWHUHTDXQGV-UDWIEESQSA-N 0 0 595.765 7.850 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408901927 1070170187 /nfs/dbraw/zinc/17/01/87/1070170187.db2.gz IZDRFXOSQCGAAS-HYARGMPZSA-N 0 0 560.922 7.486 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902050 1070176088 /nfs/dbraw/zinc/17/60/88/1070176088.db2.gz KBXWXQVVMXEPOV-LPYMAVHISA-N 0 0 536.382 6.141 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1 ZINC000408905353 1070177416 /nfs/dbraw/zinc/17/74/16/1070177416.db2.gz XREVQKVGLFTHAA-FYJGNVAPSA-N 0 0 508.347 5.412 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408906788 1070180547 /nfs/dbraw/zinc/18/05/47/1070180547.db2.gz KJBCFARVZKMNJW-UXHLAJHPSA-N 0 0 590.742 6.006 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408902241 1070182693 /nfs/dbraw/zinc/18/26/93/1070182693.db2.gz MKDMMSZPAKGWRA-FYJGNVAPSA-N 0 0 638.346 7.047 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408902702 1070184200 /nfs/dbraw/zinc/18/42/00/1070184200.db2.gz QEGSRPZWMORXFB-CIAFOILYSA-N 0 0 511.803 6.496 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902507 1070184269 /nfs/dbraw/zinc/18/42/69/1070184269.db2.gz OSOPXXAGARJFCX-HYARGMPZSA-N 0 0 569.502 6.189 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000408903264 1070186304 /nfs/dbraw/zinc/18/63/04/1070186304.db2.gz WRMSNGWIFSRSHC-YBFXNURJSA-N 0 0 607.673 7.092 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408903435 1070186418 /nfs/dbraw/zinc/18/64/18/1070186418.db2.gz XTYVYVNQSBFSPJ-LDADJPATSA-N 0 0 569.442 5.038 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408903463 1070187091 /nfs/dbraw/zinc/18/70/91/1070187091.db2.gz YFJRGVGENDMVDJ-BKUYFWCQSA-N 0 0 530.456 6.413 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1 ZINC000408903486 1070187220 /nfs/dbraw/zinc/18/72/20/1070187220.db2.gz YNOKVJBNOGMQPY-HYARGMPZSA-N 0 0 538.385 6.075 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)NC1=S ZINC000408912242 1070189449 /nfs/dbraw/zinc/18/94/49/1070189449.db2.gz DSRIVJRDTNJYCG-UUILKARUSA-N 0 0 579.097 5.354 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408919690 1070222265 /nfs/dbraw/zinc/22/22/65/1070222265.db2.gz BMISFVSWGMLKDE-JLKMOJGBSA-N 0 0 662.606 5.214 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000408919881 1070223835 /nfs/dbraw/zinc/22/38/35/1070223835.db2.gz DSOQBGDSLSXXRW-PRLWALMFSA-N 0 0 575.731 5.455 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408924043 1070241935 /nfs/dbraw/zinc/24/19/35/1070241935.db2.gz PUDVILSWOXQCHJ-YRSDHNRQSA-N 0 0 626.631 6.623 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1C ZINC000408928605 1070251915 /nfs/dbraw/zinc/25/19/15/1070251915.db2.gz DTPUPTXVHVPBCN-WYMPLXKRSA-N 0 0 524.042 6.048 40 10 KKCBRN COc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)cc1 ZINC000408974830 1070336079 /nfs/dbraw/zinc/33/60/79/1070336079.db2.gz HFMHXOVZTLWGQR-UHFFFAOYSA-N 0 0 594.696 8.150 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1Br ZINC000408987377 1070349469 /nfs/dbraw/zinc/34/94/69/1070349469.db2.gz WZVNGGLUSGJLPT-XSFVSMFZSA-N 0 0 539.267 7.390 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)OC)cc4C)C3=O)o2)cc1 ZINC000408987976 1070350925 /nfs/dbraw/zinc/35/09/25/1070350925.db2.gz ZRCJNRQUNCJNLN-XIEYBQDHSA-N 0 0 519.553 6.300 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408995836 1070364444 /nfs/dbraw/zinc/36/44/44/1070364444.db2.gz FDUPMLHLQVANEA-IWIPYMOSSA-N 0 0 509.002 5.045 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408996380 1070365675 /nfs/dbraw/zinc/36/56/75/1070365675.db2.gz DHOGFFCPWXVQAO-AARCXHMLSA-N 0 0 566.748 7.475 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408997421 1070367034 /nfs/dbraw/zinc/36/70/34/1070367034.db2.gz OMTDYUZVTQYPAY-CBPRFPNYSA-N 0 0 613.805 5.512 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408994219 1070370742 /nfs/dbraw/zinc/37/07/42/1070370742.db2.gz YEORHKFORSFVIQ-HPFVHPJRSA-N 0 0 575.775 5.165 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408999626 1070374703 /nfs/dbraw/zinc/37/47/03/1070374703.db2.gz RNYRSQBCNIFBTG-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994894 1070371690 /nfs/dbraw/zinc/37/16/90/1070371690.db2.gz HOOHPQHNSCBYIS-OREGWCPLSA-N 0 0 508.640 5.947 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409004628 1070380138 /nfs/dbraw/zinc/38/01/38/1070380138.db2.gz AXYWMMUVKSLPNU-IYVASWNSSA-N 0 0 580.537 5.821 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000409001345 1070377273 /nfs/dbraw/zinc/37/72/73/1070377273.db2.gz HWBOIDPGQDAKRX-HAHDFKILSA-N 0 0 532.980 5.243 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409006773 1070382863 /nfs/dbraw/zinc/38/28/63/1070382863.db2.gz KWBHKMVVXKMYBU-FUFNRSNVSA-N 0 0 560.119 5.476 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)NC1=S ZINC000409008403 1070384710 /nfs/dbraw/zinc/38/47/10/1070384710.db2.gz XZUCBLIQMIYNQL-YVLHZVERSA-N 0 0 510.251 5.177 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009131 1070386760 /nfs/dbraw/zinc/38/67/60/1070386760.db2.gz BPJFVHGGKPPETP-QNKGDIEWSA-N 0 0 640.758 6.563 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010444 1070388152 /nfs/dbraw/zinc/38/81/52/1070388152.db2.gz DYMBZIHIAJRTAC-FMFFXOCNSA-N 0 0 624.759 6.782 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409010875 1070388643 /nfs/dbraw/zinc/38/86/43/1070388643.db2.gz FYARHPCQYBPUOW-MFKUBSTISA-N 0 0 612.466 5.507 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409011497 1070389479 /nfs/dbraw/zinc/38/94/79/1070389479.db2.gz NOEBUALAZGVWFW-WEMUVCOSSA-N 0 0 606.748 6.058 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409011796 1070389711 /nfs/dbraw/zinc/38/97/11/1070389711.db2.gz IQEDMLJETUIGIV-MLEMOKSJSA-N 0 0 604.725 5.139 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012334 1070389979 /nfs/dbraw/zinc/38/99/79/1070389979.db2.gz QOUPGHSZTKXSRT-PDGQHHTCSA-N 0 0 560.813 5.834 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012170 1070390114 /nfs/dbraw/zinc/39/01/14/1070390114.db2.gz JCGKRFFRLNSDIZ-JVWAILMASA-N 0 0 706.431 8.162 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409018160 1070392913 /nfs/dbraw/zinc/39/29/13/1070392913.db2.gz XVMDMFGEDOMMEI-COEJQBHMSA-N 0 0 584.072 6.352 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409016320 1070396056 /nfs/dbraw/zinc/39/60/56/1070396056.db2.gz TVRNDSVREOVWHJ-WOJGMQOQSA-N 0 0 551.890 5.852 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409023866 1070401393 /nfs/dbraw/zinc/40/13/93/1070401393.db2.gz LGQKIQRXZJRWNS-ASUJOLEISA-N 0 0 593.152 6.243 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000409029992 1070411709 /nfs/dbraw/zinc/41/17/09/1070411709.db2.gz BHMHMIHMIZWTGU-YIXHJXPBSA-N 0 0 707.187 6.863 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409037863 1070426608 /nfs/dbraw/zinc/42/66/08/1070426608.db2.gz UJXIZVWHLJBZGD-GRSHGNNSSA-N 0 0 577.336 8.227 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1O[C@@H](C)CC ZINC000409037997 1070427483 /nfs/dbraw/zinc/42/74/83/1070427483.db2.gz ZFUHXJLZMGLLAC-BNDQCTAISA-N 0 0 594.318 6.369 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc(Cl)c1 ZINC000409035964 1070435606 /nfs/dbraw/zinc/43/56/06/1070435606.db2.gz RARPJDTXMGUFGF-PXNMLYILSA-N 0 0 648.753 7.034 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036410 1070437045 /nfs/dbraw/zinc/43/70/45/1070437045.db2.gz VZOBLAJHKPGEKK-XFPFAXQNSA-N 0 0 679.795 5.310 40 10 KKCBRN CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409039947 1070437668 /nfs/dbraw/zinc/43/76/68/1070437668.db2.gz RQIIXXCEYFPWCL-UXBLZVDNSA-N 0 0 522.211 5.192 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000409037354 1070439787 /nfs/dbraw/zinc/43/97/87/1070439787.db2.gz NJHIZAVWAXGCGT-MKMNVTDBSA-N 0 0 628.291 6.101 40 10 KKCBRN CCOc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409040885 1070443829 /nfs/dbraw/zinc/44/38/29/1070443829.db2.gz UZQWFCIUVQVXQC-RUDMXATFSA-N 0 0 601.107 5.954 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409040970 1070443840 /nfs/dbraw/zinc/44/38/40/1070443840.db2.gz ZGXNEPRBRYPZHT-UUASQNMZSA-N 0 0 697.225 8.077 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409041455 1070444461 /nfs/dbraw/zinc/44/44/61/1070444461.db2.gz AENNYQHUTDXHDG-XSTKMXAKSA-N 0 0 774.519 6.670 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409042892 1070448059 /nfs/dbraw/zinc/44/80/59/1070448059.db2.gz DJOACWPATZMSDY-YBEGLDIGSA-N 0 0 533.409 5.684 40 10 KKCBRN CCOc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)cc1OC ZINC000409043824 1070450228 /nfs/dbraw/zinc/45/02/28/1070450228.db2.gz ZVILSEBSSQIWOS-WDZFZDKYSA-N 0 0 552.237 5.200 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 ZINC000409044256 1070450982 /nfs/dbraw/zinc/45/09/82/1070450982.db2.gz UYJWEKDJHDCMJU-UDWIEESQSA-N 0 0 590.293 6.094 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044701 1070451765 /nfs/dbraw/zinc/45/17/65/1070451765.db2.gz OUXZFSVSZCPOKH-UAMLYEQYSA-N 0 0 711.622 5.606 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)cc1Cl ZINC000409044806 1070452341 /nfs/dbraw/zinc/45/23/41/1070452341.db2.gz PECKUFJFNXEWOS-MDWZMJQESA-N 0 0 510.802 5.888 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409047323 1070458912 /nfs/dbraw/zinc/45/89/12/1070458912.db2.gz MHEMVEFPVSWHEQ-ONNFQVAWSA-N 0 0 706.143 5.339 40 10 KKCBRN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(C)C)c(Br)c3)C2=O)cc1 ZINC000409047705 1070459403 /nfs/dbraw/zinc/45/94/03/1070459403.db2.gz QBLAZJGYWPYSGR-RQZCQDPDSA-N 0 0 566.246 5.312 40 10 KKCBRN Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409053344 1070460264 /nfs/dbraw/zinc/46/02/64/1070460264.db2.gz BZZGUPVSAFYOTR-DJKKODMXSA-N 0 0 649.679 6.327 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409051705 1070467435 /nfs/dbraw/zinc/46/74/35/1070467435.db2.gz DSAYDHYGUTWKHB-IWIPYMOSSA-N 0 0 500.595 5.605 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409053640 1070473636 /nfs/dbraw/zinc/47/36/36/1070473636.db2.gz GPOOGABAGSEUQN-STZFKDTASA-N 0 0 509.375 5.873 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409054398 1070475113 /nfs/dbraw/zinc/47/51/13/1070475113.db2.gz JLFVZIVRWDVUOA-WNFQYIGGSA-N 0 0 550.269 7.585 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409054887 1070475453 /nfs/dbraw/zinc/47/54/53/1070475453.db2.gz WEBQMJHZCRZGPU-UUYOSTAYSA-N 0 0 534.917 7.936 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409054930 1070475603 /nfs/dbraw/zinc/47/56/03/1070475603.db2.gz HGTCTODWAIMIDE-YUMHPJSZSA-N 0 0 590.564 7.900 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409062282 1070477578 /nfs/dbraw/zinc/47/75/78/1070477578.db2.gz RGMYFXPCHRBZLU-YNMQQHPQSA-N 0 0 580.150 5.149 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(OCc2ccc(I)cc2)c1 ZINC000409062914 1070478325 /nfs/dbraw/zinc/47/83/25/1070478325.db2.gz CULXFWXZEUQGHR-ONUIUJJFSA-N 0 0 565.455 6.523 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409076724 1070491639 /nfs/dbraw/zinc/49/16/39/1070491639.db2.gz CBHUGYHHIRLTOT-LELXDKESSA-N 0 0 535.441 5.317 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409072868 1070499125 /nfs/dbraw/zinc/49/91/25/1070499125.db2.gz SVCWUKNVBCAATN-VPHSIRQSSA-N 0 0 606.144 5.267 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)NC1=S ZINC000409081861 1070505376 /nfs/dbraw/zinc/50/53/76/1070505376.db2.gz OPKFUAOCZPPIBT-IUXPMGMMSA-N 0 0 530.271 5.811 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409083044 1070507852 /nfs/dbraw/zinc/50/78/52/1070507852.db2.gz UKDROESAJXXGAW-WGOQTCKBSA-N 0 0 645.550 7.541 40 10 KKCBRN COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409090136 1070524566 /nfs/dbraw/zinc/52/45/66/1070524566.db2.gz LJGRMSDQZWQERV-RQZCQDPDSA-N 0 0 573.301 5.277 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409090818 1070525483 /nfs/dbraw/zinc/52/54/83/1070525483.db2.gz QKTKALZYWBIQID-UZQMFHLOSA-N 0 0 524.491 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409100378 1070533288 /nfs/dbraw/zinc/53/32/88/1070533288.db2.gz MYDOYYXDPKZYFF-STBIYBPSSA-N 0 0 663.590 8.224 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409101427 1070534304 /nfs/dbraw/zinc/53/43/04/1070534304.db2.gz YFVPQRSDAIDJJX-KEPJHFNWSA-N 0 0 607.151 5.312 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc43)SC2=S)c1 ZINC000409101866 1070534826 /nfs/dbraw/zinc/53/48/26/1070534826.db2.gz ZGPUFMGBYAMIRQ-MTDXEUNCSA-N 0 0 534.637 7.790 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409112658 1070538754 /nfs/dbraw/zinc/53/87/54/1070538754.db2.gz FWHAHNPQZBAESE-JFLMPSFJSA-N 0 0 653.982 8.479 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409132284 1070550788 /nfs/dbraw/zinc/55/07/88/1070550788.db2.gz ZEJGKULTBKOQJV-VROXFSQNSA-N 0 0 583.485 6.206 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409132625 1070551458 /nfs/dbraw/zinc/55/14/58/1070551458.db2.gz KIRZLLNMHJRQJP-GXHLCREISA-N 0 0 526.308 6.980 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)SC1=S ZINC000409130591 1070557214 /nfs/dbraw/zinc/55/72/14/1070557214.db2.gz WPTRJXGPLPHQQP-QRVIBDJDSA-N 0 0 545.524 5.947 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409143473 1070571595 /nfs/dbraw/zinc/57/15/95/1070571595.db2.gz GTIKROYYTMCXDT-MFKUBSTISA-N 0 0 534.703 5.593 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1F ZINC000409143810 1070571673 /nfs/dbraw/zinc/57/16/73/1070571673.db2.gz IDSSJPRMJUFQEL-LGJNPRDNSA-N 0 0 566.720 6.252 40 10 KKCBRN O=C1[C@H](Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142612 1070569884 /nfs/dbraw/zinc/56/98/84/1070569884.db2.gz BCWQFYUWWAXLJM-NRFANRHFSA-N 0 0 629.798 7.555 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409162098 1070580792 /nfs/dbraw/zinc/58/07/92/1070580792.db2.gz RMQXMHJZVOKPLQ-WYMPLXKRSA-N 0 0 522.667 5.854 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168473 1070586404 /nfs/dbraw/zinc/58/64/04/1070586404.db2.gz MSLNWDVPVUBPGA-IYPVNNRCSA-N 0 0 634.612 10.130 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409172163 1070587738 /nfs/dbraw/zinc/58/77/38/1070587738.db2.gz IVNOPQMUNMBNOC-ZYLNGJIFSA-N 0 0 571.855 7.433 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409182264 1070600266 /nfs/dbraw/zinc/60/02/66/1070600266.db2.gz JPFBJZINQDPZJR-VIZOYTHASA-N 0 0 535.787 5.507 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183342 1070601825 /nfs/dbraw/zinc/60/18/25/1070601825.db2.gz BJTOEMBEOXOKOM-AMMKBXEKSA-N 0 0 593.705 5.794 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409193935 1070611979 /nfs/dbraw/zinc/61/19/79/1070611979.db2.gz IFXVKJJSIRGTDF-OEAKJJBVSA-N 0 0 603.503 6.602 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000409196287 1070616613 /nfs/dbraw/zinc/61/66/13/1070616613.db2.gz VIWZJHZJJKHOFU-PXNMLYILSA-N 0 0 547.279 6.104 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409197142 1070617221 /nfs/dbraw/zinc/61/72/21/1070617221.db2.gz WVXWEISHMSVOKL-CIAFOILYSA-N 0 0 553.489 5.036 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(Br)c1 ZINC000409207237 1070622878 /nfs/dbraw/zinc/62/28/78/1070622878.db2.gz UHADECCULSHLAC-KEBDBYFISA-N 0 0 581.391 7.574 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207153 1070622949 /nfs/dbraw/zinc/62/29/49/1070622949.db2.gz SKOCMBPKSISJBW-OEAKJJBVSA-N 0 0 509.609 5.528 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000409207511 1070622994 /nfs/dbraw/zinc/62/29/94/1070622994.db2.gz VREREDACEDJOKZ-CIAFOILYSA-N 0 0 594.471 5.974 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC ZINC000409204624 1070630409 /nfs/dbraw/zinc/63/04/09/1070630409.db2.gz BUOKOECQLBNIOV-BUVRLJJBSA-N 0 0 537.663 5.067 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409225069 1070643028 /nfs/dbraw/zinc/64/30/28/1070643028.db2.gz OHXGEXPMOWTGSZ-DJKKODMXSA-N 0 0 572.832 5.948 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409222218 1070649378 /nfs/dbraw/zinc/64/93/78/1070649378.db2.gz WEAGEGMUVDCKGY-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409221800 1070649518 /nfs/dbraw/zinc/64/95/18/1070649518.db2.gz VFMGAIHGQBKRRI-PFHZTYADSA-N 0 0 553.489 5.400 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226850 1070644853 /nfs/dbraw/zinc/64/48/53/1070644853.db2.gz WELIYXFGULUESU-UHFFFAOYSA-N 0 0 630.484 6.993 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1Cl ZINC000409220691 1070647840 /nfs/dbraw/zinc/64/78/40/1070647840.db2.gz DJMQAJDWUFQDLD-NHDPSOOVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000409223854 1070651079 /nfs/dbraw/zinc/65/10/79/1070651079.db2.gz GAYSNYZZZPIWCI-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409232451 1070657708 /nfs/dbraw/zinc/65/77/08/1070657708.db2.gz HWOOZHDWCARYLM-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409233417 1070658441 /nfs/dbraw/zinc/65/84/41/1070658441.db2.gz SBNMPTYQXKAHJX-OYKKKHCWSA-N 0 0 573.523 6.463 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409234262 1070659765 /nfs/dbraw/zinc/65/97/65/1070659765.db2.gz JQYXYAMUWGSODV-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409234171 1070659893 /nfs/dbraw/zinc/65/98/93/1070659893.db2.gz MXIFHMUOWCVPHN-LIQPLZLLSA-N 0 0 553.489 5.400 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409234546 1070660729 /nfs/dbraw/zinc/66/07/29/1070660729.db2.gz NQISBWWPEHRLOE-UUYOSTAYSA-N 0 0 573.490 5.778 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409241160 1070668537 /nfs/dbraw/zinc/66/85/37/1070668537.db2.gz JEFUPYGDMCYAEO-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409247723 1070664240 /nfs/dbraw/zinc/66/42/40/1070664240.db2.gz NIEUIOBARAJBDK-IXGURIBZSA-N 0 0 551.061 5.276 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1 ZINC000409249978 1070666352 /nfs/dbraw/zinc/66/63/52/1070666352.db2.gz KOYQGOIBUCOJDU-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409249484 1070666359 /nfs/dbraw/zinc/66/63/59/1070666359.db2.gz IQROKEIYJKPFEG-ODLFYWEKSA-N 0 0 521.458 5.085 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409254996 1070673391 /nfs/dbraw/zinc/67/33/91/1070673391.db2.gz KAZFLLVNNRVSMP-MXAYSNPKSA-N 0 0 548.642 5.151 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 ZINC000409255766 1070674707 /nfs/dbraw/zinc/67/47/07/1070674707.db2.gz ITSCAGPQYMGNQD-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409253890 1070686789 /nfs/dbraw/zinc/68/67/89/1070686789.db2.gz GWUWNVMIPRPBQY-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409253665 1070686791 /nfs/dbraw/zinc/68/67/91/1070686791.db2.gz GJDOEPOABFYSAG-ODLFYWEKSA-N 0 0 511.452 5.249 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266175 1070690337 /nfs/dbraw/zinc/69/03/37/1070690337.db2.gz KBTUUXKIOHDKOW-MTJSOVHGSA-N 0 0 519.088 5.983 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409259001 1070681124 /nfs/dbraw/zinc/68/11/24/1070681124.db2.gz WXOPJGABMRKZFW-GRSHGNNSSA-N 0 0 511.452 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409252061 1070682386 /nfs/dbraw/zinc/68/23/86/1070682386.db2.gz RTQIBXJFIXORII-XKZIYDEJSA-N 0 0 529.039 5.751 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409265673 1070689832 /nfs/dbraw/zinc/68/98/32/1070689832.db2.gz NOTXVLJPQOKQNK-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409252395 1070683792 /nfs/dbraw/zinc/68/37/92/1070683792.db2.gz XOEWMAICDBNGIX-QFEZKATASA-N 0 0 553.105 6.643 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409264192 1070701236 /nfs/dbraw/zinc/70/12/36/1070701236.db2.gz PQDBCENEUBQZTD-MXAYSNPKSA-N 0 0 548.642 5.151 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409262437 1070698398 /nfs/dbraw/zinc/69/83/98/1070698398.db2.gz DQGAFTLMWYUNBI-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269229 1070703120 /nfs/dbraw/zinc/70/31/20/1070703120.db2.gz HJIYALZZPUKGJO-UHFFFAOYSA-N 0 0 624.093 6.956 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408881170 1070784507 /nfs/dbraw/zinc/78/45/07/1070784507.db2.gz KALDNIJLLKCTOK-DICXZTSXSA-N 0 0 652.676 7.847 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408880609 1070788024 /nfs/dbraw/zinc/78/80/24/1070788024.db2.gz GAGJRZABLHROOB-UHFFFAOYSA-N 0 0 739.429 7.780 40 10 KKCBRN Cc1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)cc1C ZINC000408880631 1070788039 /nfs/dbraw/zinc/78/80/39/1070788039.db2.gz HNHSQANKNIUIRN-UHFFFAOYSA-N 0 0 518.638 6.631 40 10 KKCBRN Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408880624 1070788241 /nfs/dbraw/zinc/78/82/41/1070788241.db2.gz HLKKATRHDZMHFH-UHFFFAOYSA-N 0 0 537.084 7.296 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408880618 1070788306 /nfs/dbraw/zinc/78/83/06/1070788306.db2.gz GGADSIMKBHDHER-UHFFFAOYSA-N 0 0 646.335 7.394 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880277 1070789496 /nfs/dbraw/zinc/78/94/96/1070789496.db2.gz FWMQRANNQCETSN-UHFFFAOYSA-N 0 0 527.407 7.168 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408880131 1070789941 /nfs/dbraw/zinc/78/99/41/1070789941.db2.gz DLXRNWWQCZQVRE-UHFFFAOYSA-N 0 0 570.026 6.576 40 10 KKCBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000408879971 1070790793 /nfs/dbraw/zinc/79/07/93/1070790793.db2.gz IAGPAKFJXPINKB-QRVIBDJDSA-N 0 0 527.568 6.350 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000408879985 1070790879 /nfs/dbraw/zinc/79/08/79/1070790879.db2.gz GKHMIIYLZUYSTI-UHFFFAOYSA-N 0 0 537.015 7.119 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408880943 1070784756 /nfs/dbraw/zinc/78/47/56/1070784756.db2.gz KRDSEJSOGUCODP-UHFFFAOYSA-N 0 0 613.533 7.175 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880689 1070786914 /nfs/dbraw/zinc/78/69/14/1070786914.db2.gz IACCGDFNTANCTL-UXHLAJHPSA-N 0 0 665.595 7.159 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408878076 1070802244 /nfs/dbraw/zinc/80/22/44/1070802244.db2.gz WHIMZAYUYQUXNT-UHFFFAOYSA-N 0 0 583.438 6.620 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408877388 1070809160 /nfs/dbraw/zinc/80/91/60/1070809160.db2.gz VNDKIXSUBIXVMQ-UHFFFAOYSA-N 0 0 568.629 7.319 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408877667 1070806206 /nfs/dbraw/zinc/80/62/06/1070806206.db2.gz XNGOXNGFRDMODA-UHFFFAOYSA-N 0 0 518.569 6.166 40 10 KKCBRN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408878247 1070801881 /nfs/dbraw/zinc/80/18/81/1070801881.db2.gz YVBSGLCOMXDZPP-UHFFFAOYSA-N 0 0 538.603 7.311 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408887488 1070821071 /nfs/dbraw/zinc/82/10/71/1070821071.db2.gz OVPXVCNUQRZICR-UHFFFAOYSA-N 0 0 581.466 7.228 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409326686 1070826900 /nfs/dbraw/zinc/82/69/00/1070826900.db2.gz DFHQMCPJQPBLQV-FSJBWODESA-N 0 0 575.495 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409327995 1070829108 /nfs/dbraw/zinc/82/91/08/1070829108.db2.gz OYCCHJDMJQLPNW-UUYOSTAYSA-N 0 0 648.415 8.110 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328278 1070829155 /nfs/dbraw/zinc/82/91/55/1070829155.db2.gz REKZEBXJWMYEMD-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1 ZINC000409328345 1070829990 /nfs/dbraw/zinc/82/99/90/1070829990.db2.gz SOYCJBVSSWJLLO-CIAFOILYSA-N 0 0 728.371 6.030 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409328780 1070830528 /nfs/dbraw/zinc/83/05/28/1070830528.db2.gz ASHJKZXVTGQNFG-MXAYSNPKSA-N 0 0 632.001 7.658 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409328696 1070830679 /nfs/dbraw/zinc/83/06/79/1070830679.db2.gz ZZPCMLIIMKOBBV-NHDPSOOVSA-N 0 0 550.511 6.959 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409329654 1070831710 /nfs/dbraw/zinc/83/17/10/1070831710.db2.gz GSBPFQFRHJULIH-LHHJGKSTSA-N 0 0 692.563 6.726 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409330076 1070832451 /nfs/dbraw/zinc/83/24/51/1070832451.db2.gz JKHXCGOPAJDSDN-SSDVNMTOSA-N 0 0 611.366 7.758 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409330326 1070833351 /nfs/dbraw/zinc/83/33/51/1070833351.db2.gz KTMOJABXTJPELE-RQZCQDPDSA-N 0 0 542.860 5.459 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409330197 1070833488 /nfs/dbraw/zinc/83/34/88/1070833488.db2.gz KNBVCNPAHZZMKT-CVKSISIWSA-N 0 0 539.122 7.180 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409333795 1070838857 /nfs/dbraw/zinc/83/88/57/1070838857.db2.gz WDTDMAKPGXAZPI-JMIUGGIZSA-N 0 0 524.492 5.609 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409331870 1070836010 /nfs/dbraw/zinc/83/60/10/1070836010.db2.gz PBFNCGXVIUKUNM-HMAPJEAMSA-N 0 0 542.476 6.451 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409332596 1070837034 /nfs/dbraw/zinc/83/70/34/1070837034.db2.gz QOIDEAHDHYAQGZ-YBFXNURJSA-N 0 0 515.956 5.063 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409339982 1070845792 /nfs/dbraw/zinc/84/57/92/1070845792.db2.gz OABJRZGBKFSHQZ-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1Br ZINC000409340248 1070845849 /nfs/dbraw/zinc/84/58/49/1070845849.db2.gz SUJQQFCSNUQWNT-CAOOACKPSA-N 0 0 528.833 5.069 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409341231 1070847894 /nfs/dbraw/zinc/84/78/94/1070847894.db2.gz AFZHIOPRZVLZTA-VCHYOVAHSA-N 0 0 509.823 6.453 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409341206 1070848038 /nfs/dbraw/zinc/84/80/38/1070848038.db2.gz ABSGJPHZZKVQSU-DNTJNYDQSA-N 0 0 528.313 8.114 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409342093 1070849566 /nfs/dbraw/zinc/84/95/66/1070849566.db2.gz DFMMTFJIJPREOE-YDZHTSKRSA-N 0 0 539.907 7.511 40 10 KKCBRN O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409342402 1070849868 /nfs/dbraw/zinc/84/98/68/1070849868.db2.gz DMQJGZYBXRJVSV-ZDLGFXPLSA-N 0 0 540.848 5.253 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408894999 1070849745 /nfs/dbraw/zinc/84/97/45/1070849745.db2.gz LLLPAWFGVYVKAG-UHFFFAOYSA-N 0 0 678.523 7.156 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1Cl ZINC000409342332 1070849997 /nfs/dbraw/zinc/84/99/97/1070849997.db2.gz DGFUAUNJYGZNFA-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1O ZINC000409344057 1070852768 /nfs/dbraw/zinc/85/27/68/1070852768.db2.gz FEWDCLMNHZUZFW-FRKPEAEDSA-N 0 0 504.349 5.978 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409346716 1070863651 /nfs/dbraw/zinc/86/36/51/1070863651.db2.gz OFTOLCUSHKCUIF-HYARGMPZSA-N 0 0 565.498 6.413 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409337481 1070859456 /nfs/dbraw/zinc/85/94/56/1070859456.db2.gz VKFPZZIMOGGCEO-MXAYSNPKSA-N 0 0 569.485 6.333 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346924 1070864060 /nfs/dbraw/zinc/86/40/60/1070864060.db2.gz OVEDHBXHGNCWHU-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409338128 1070860662 /nfs/dbraw/zinc/86/06/62/1070860662.db2.gz DOBQUHBDWNHWNT-VGOFMYFVSA-N 0 0 507.296 5.421 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1Cl ZINC000409338644 1070861527 /nfs/dbraw/zinc/86/15/27/1070861527.db2.gz NLOUDMINUPZXJM-SRZZPIQSSA-N 0 0 558.443 7.282 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409339150 1070861836 /nfs/dbraw/zinc/86/18/36/1070861836.db2.gz SGRTUFVIBROTPW-XKZIYDEJSA-N 0 0 541.492 6.454 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408893733 1070861851 /nfs/dbraw/zinc/86/18/51/1070861851.db2.gz HCANNCQJJHKYTJ-UHFFFAOYSA-N 0 0 522.532 5.997 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409339109 1070861995 /nfs/dbraw/zinc/86/19/95/1070861995.db2.gz RXYRXXVCFWSWQE-SSDVNMTOSA-N 0 0 589.573 6.046 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409347582 1070864231 /nfs/dbraw/zinc/86/42/31/1070864231.db2.gz MSOPTUIEMHDQCX-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409346488 1070863041 /nfs/dbraw/zinc/86/30/41/1070863041.db2.gz KZZXNFFWNAQIGT-OVCLIPMQSA-N 0 0 672.145 6.463 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409348184 1070864811 /nfs/dbraw/zinc/86/48/11/1070864811.db2.gz RPGJNKWCCBYDEB-BUVRLJJBSA-N 0 0 506.605 6.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409348169 1070865005 /nfs/dbraw/zinc/86/50/05/1070865005.db2.gz RNNJMDPGYPARHJ-MTJSOVHGSA-N 0 0 611.885 7.077 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409348292 1070865739 /nfs/dbraw/zinc/86/57/39/1070865739.db2.gz RZIAMPPQHNOKDG-KSEXSDGBSA-N 0 0 574.352 8.165 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409349205 1070866491 /nfs/dbraw/zinc/86/64/91/1070866491.db2.gz UXHAVWQVYDPPEF-OEAKJJBVSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccccc1F ZINC000409349397 1070866835 /nfs/dbraw/zinc/86/68/35/1070866835.db2.gz PPUYANVVKIAJBF-CIAFOILYSA-N 0 0 518.404 6.712 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409349435 1070866898 /nfs/dbraw/zinc/86/68/98/1070866898.db2.gz PVVWAQKJQKAMHB-LPYMAVHISA-N 0 0 522.564 5.767 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409350392 1070867949 /nfs/dbraw/zinc/86/79/49/1070867949.db2.gz RMQJHJBLOZVZIH-ZVHZXABRSA-N 0 0 501.608 5.821 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1 ZINC000409352964 1070871973 /nfs/dbraw/zinc/87/19/73/1070871973.db2.gz ZRDFEBOKESQPMW-OEAKJJBVSA-N 0 0 560.922 7.486 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409350600 1070868896 /nfs/dbraw/zinc/86/88/96/1070868896.db2.gz YQQHKNYEHKDKSA-RHANQZHGSA-N 0 0 612.733 7.018 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409350813 1070869359 /nfs/dbraw/zinc/86/93/59/1070869359.db2.gz SIODRECNVZCCPG-XDHOZWIPSA-N 0 0 539.460 6.111 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000409352697 1070871265 /nfs/dbraw/zinc/87/12/65/1070871265.db2.gz YNIPJMSBATWLPE-YBEGLDIGSA-N 0 0 531.824 5.758 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)c(OC)c3)SC2=S)cc1Cl ZINC000409352783 1070871316 /nfs/dbraw/zinc/87/13/16/1070871316.db2.gz ZGWOBDUZZPSIQG-WGARJPEWSA-N 0 0 583.131 6.904 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000409352755 1070871341 /nfs/dbraw/zinc/87/13/41/1070871341.db2.gz ZAMGPWLGMNMRLK-GIJQJNRQSA-N 0 0 512.834 5.832 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409345195 1070876110 /nfs/dbraw/zinc/87/61/10/1070876110.db2.gz KPXPTGIBSXGEBB-OYKKKHCWSA-N 0 0 588.629 6.536 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409345358 1070876438 /nfs/dbraw/zinc/87/64/38/1070876438.db2.gz LMROBAGEUACXBW-VCHYOVAHSA-N 0 0 564.826 5.817 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OC ZINC000409345391 1070876655 /nfs/dbraw/zinc/87/66/55/1070876655.db2.gz LNLPAQOZYXWMFY-CHHVJCJISA-N 0 0 505.242 6.179 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000408907044 1070892789 /nfs/dbraw/zinc/89/27/89/1070892789.db2.gz LETLORQWDUTSOQ-YDZHTSKRSA-N 0 0 602.858 5.762 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408906409 1070895868 /nfs/dbraw/zinc/89/58/68/1070895868.db2.gz JDBPWGGQFMAHIX-RUMWWMSVSA-N 0 0 705.229 6.565 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409382739 1070900648 /nfs/dbraw/zinc/90/06/48/1070900648.db2.gz QGYUMRDOZBTODQ-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408904951 1070900751 /nfs/dbraw/zinc/90/07/51/1070900751.db2.gz QYHADAPPIZCKGV-MOSHPQCFSA-N 0 0 554.409 5.362 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408904500 1070900857 /nfs/dbraw/zinc/90/08/57/1070900857.db2.gz KKGYRZZBBCLHQF-LPYMAVHISA-N 0 0 534.410 5.590 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)SC1=S ZINC000409384582 1070901669 /nfs/dbraw/zinc/90/16/69/1070901669.db2.gz CWCWKKBQGBJCDV-NDENLUEZSA-N 0 0 657.336 6.849 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408903514 1070903929 /nfs/dbraw/zinc/90/39/29/1070903929.db2.gz YYPKRBUMTJWLPH-CVKSISIWSA-N 0 0 562.510 7.596 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903468 1070904116 /nfs/dbraw/zinc/90/41/16/1070904116.db2.gz YHPRYHCRUVUPPN-FYJGNVAPSA-N 0 0 529.014 5.911 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902818 1070909956 /nfs/dbraw/zinc/90/99/56/1070909956.db2.gz RRTLEYYOLNPEBW-HYARGMPZSA-N 0 0 527.023 6.632 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903125 1070905464 /nfs/dbraw/zinc/90/54/64/1070905464.db2.gz UUEDLWGFVUCDHP-FYJGNVAPSA-N 0 0 573.465 6.020 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902991 1070906010 /nfs/dbraw/zinc/90/60/10/1070906010.db2.gz TYEYMWMZPFGSGG-FYJGNVAPSA-N 0 0 608.320 7.039 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408903109 1070907445 /nfs/dbraw/zinc/90/74/45/1070907445.db2.gz UOYZUULYTAQIRQ-ZVHZXABRSA-N 0 0 576.288 7.750 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902710 1070908685 /nfs/dbraw/zinc/90/86/85/1070908685.db2.gz QGLFIZIQXUSKKH-UDWIEESQSA-N 0 0 653.317 6.947 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000408902684 1070908699 /nfs/dbraw/zinc/90/86/99/1070908699.db2.gz PWTPNBHCACLWGK-LPYMAVHISA-N 0 0 556.375 6.214 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902777 1070909188 /nfs/dbraw/zinc/90/91/88/1070909188.db2.gz RGPUFVPHWQVXSW-CIAFOILYSA-N 0 0 569.355 5.593 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408902727 1070909316 /nfs/dbraw/zinc/90/93/16/1070909316.db2.gz QNKXBXYLJCUXJH-LPYMAVHISA-N 0 0 595.367 8.139 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408902629 1070910691 /nfs/dbraw/zinc/91/06/91/1070910691.db2.gz PAAJKSZDVYTHAO-HZHRSRAPSA-N 0 0 540.504 7.141 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccccc1Br ZINC000409388695 1070910923 /nfs/dbraw/zinc/91/09/23/1070910923.db2.gz VPXRQFDIVDKTAM-OYKKKHCWSA-N 0 0 550.478 5.478 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902139 1070913450 /nfs/dbraw/zinc/91/34/50/1070913450.db2.gz KSRLLSWAMVSAGY-MHWRWJLKSA-N 0 0 651.285 5.244 40 10 KKCBRN Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408901995 1070914700 /nfs/dbraw/zinc/91/47/00/1070914700.db2.gz JQXGFWORZCIRHS-FYJGNVAPSA-N 0 0 530.896 7.396 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902229 1070914801 /nfs/dbraw/zinc/91/48/01/1070914801.db2.gz MGWUIIGQWKWKJD-FYJGNVAPSA-N 0 0 608.320 7.039 40 10 KKCBRN CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408901667 1070916520 /nfs/dbraw/zinc/91/65/20/1070916520.db2.gz HBIPLQYRTKJMOJ-OQLLNIDSSA-N 0 0 558.157 5.101 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408901494 1070921185 /nfs/dbraw/zinc/92/11/85/1070921185.db2.gz FZPMZCROFBAVPZ-YZSQISJMSA-N 0 0 543.695 7.559 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408901333 1070923424 /nfs/dbraw/zinc/92/34/24/1070923424.db2.gz DHPRMIHOHFFCIS-BKUYFWCQSA-N 0 0 593.895 6.938 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408900966 1070926406 /nfs/dbraw/zinc/92/64/06/1070926406.db2.gz ATILNEYAUGTEFX-HYARGMPZSA-N 0 0 526.477 6.751 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408909266 1070977681 /nfs/dbraw/zinc/97/76/81/1070977681.db2.gz GVWLPNGREKEJQH-CLNXTWJPSA-N 0 0 579.747 5.713 40 10 KKCBRN Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000585266551 1071003378 /nfs/dbraw/zinc/00/33/78/1071003378.db2.gz FCDUSUQDGCDHNN-MUUNZHRXSA-N 0 0 557.094 5.949 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000408924789 1071080836 /nfs/dbraw/zinc/08/08/36/1071080836.db2.gz REAWIMNORWHKRQ-WOSHRIRTSA-N 0 0 706.659 5.934 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408921211 1071097600 /nfs/dbraw/zinc/09/76/00/1071097600.db2.gz MJKQXPSXTSAJIS-SJXDCSIJSA-N 0 0 652.600 5.759 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920689 1071100853 /nfs/dbraw/zinc/10/08/53/1071100853.db2.gz KLTNHRCDJMNESK-OBDCIHEFSA-N 0 0 695.623 5.908 40 10 KKCBRN COc1ccc(N2CCN(C(=O)COc3cccc([C@@H]4OC[C@@H](c5cccc(F)c5)C[C@H]4C(C)C)c3)CC2)cc1 ZINC000585291424 1071147365 /nfs/dbraw/zinc/14/73/65/1071147365.db2.gz CTIGNDDLSKGYSO-CTVJOPNHSA-N 0 0 546.683 6.079 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408929538 1071170947 /nfs/dbraw/zinc/17/09/47/1071170947.db2.gz KSAIVAYRFMJFGX-FSJBWODESA-N 0 0 504.568 5.294 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408928337 1071186104 /nfs/dbraw/zinc/18/61/04/1071186104.db2.gz ABEQUEZYXZPJAK-OCSSWDANSA-N 0 0 600.140 7.618 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408937116 1071204787 /nfs/dbraw/zinc/20/47/87/1071204787.db2.gz IAFDFMZUJREBBC-CIAFOILYSA-N 0 0 505.914 5.278 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000208702815 1071213724 /nfs/dbraw/zinc/21/37/24/1071213724.db2.gz DHJKUOBLUBNYIF-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000208704434 1071213753 /nfs/dbraw/zinc/21/37/53/1071213753.db2.gz UKSGHVYVKXMGKN-NSIKDUERSA-N 0 0 647.219 6.329 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000208673263 1071212414 /nfs/dbraw/zinc/21/24/14/1071212414.db2.gz HNPQZAPWWNFDLD-JJFYIABZSA-N 0 0 547.441 6.895 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C)cc1 ZINC000408933820 1071237495 /nfs/dbraw/zinc/23/74/95/1071237495.db2.gz BMWWIXNFEQJITJ-OEAKJJBVSA-N 0 0 580.422 6.019 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408943992 1071261846 /nfs/dbraw/zinc/26/18/46/1071261846.db2.gz SZVFZYZARKOFLK-LPYMAVHISA-N 0 0 525.830 6.886 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408944338 1071285956 /nfs/dbraw/zinc/28/59/56/1071285956.db2.gz UIXKQUTTWJWFIB-YDZHTSKRSA-N 0 0 580.422 5.938 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408943717 1071289582 /nfs/dbraw/zinc/28/95/82/1071289582.db2.gz LWAAYEUBMBMCLM-ZFWDJNJRSA-N 0 0 673.960 5.082 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408941925 1071305136 /nfs/dbraw/zinc/30/51/36/1071305136.db2.gz QDOJCDYXODQJKZ-FYJGNVAPSA-N 0 0 554.238 6.233 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408941222 1071311587 /nfs/dbraw/zinc/31/15/87/1071311587.db2.gz OXRPKHQXPQOGLB-ZVHZXABRSA-N 0 0 547.449 6.486 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n21 ZINC000408940756 1071314931 /nfs/dbraw/zinc/31/49/31/1071314931.db2.gz CIAIKSBFXJKWJN-DQARITGZSA-N 0 0 699.465 6.128 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(I)c(C)c5)c4C)c(=O)n32)cc1OCC ZINC000408940635 1071316813 /nfs/dbraw/zinc/31/68/13/1071316813.db2.gz VENQFYXKLMRTTI-BDRSBEQYSA-N 0 0 697.595 5.136 40 10 KKCBRN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263597891 1071323571 /nfs/dbraw/zinc/32/35/71/1071323571.db2.gz HHBUXHGNFGUEFR-OBIUJDMJSA-N 0 0 816.945 6.044 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408948842 1071362911 /nfs/dbraw/zinc/36/29/11/1071362911.db2.gz ROYXBVBFNDGEQI-LIWABFSXSA-N 0 0 663.796 5.802 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C ZINC000408961309 1071406123 /nfs/dbraw/zinc/40/61/23/1071406123.db2.gz RILIYWLURKLJHP-UHFFFAOYSA-N 0 0 503.602 6.548 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C ZINC000408961030 1071430569 /nfs/dbraw/zinc/43/05/69/1071430569.db2.gz PZRLHDIPDONDHG-UCQKPKSFSA-N 0 0 535.442 5.259 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OCc1ccccc1F ZINC000408973290 1071448452 /nfs/dbraw/zinc/44/84/52/1071448452.db2.gz YEASXXXPHBBNGE-WQRHYEAKSA-N 0 0 596.318 6.366 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972989 1071449208 /nfs/dbraw/zinc/44/92/08/1071449208.db2.gz RAIOSQJIXZFQDX-UNOMPAQXSA-N 0 0 535.747 7.030 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)c2C)c1 ZINC000408967998 1071463668 /nfs/dbraw/zinc/46/36/68/1071463668.db2.gz WGWLWODDZFPHDD-IWIPYMOSSA-N 0 0 517.607 5.254 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968810 1071461494 /nfs/dbraw/zinc/46/14/94/1071461494.db2.gz ZJVVJMNJJQMLFL-XYGWBWBKSA-N 0 0 515.679 6.683 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968064 1071464399 /nfs/dbraw/zinc/46/43/99/1071464399.db2.gz UAQSNVGMYMPMFD-IWIPYMOSSA-N 0 0 549.469 5.686 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967430 1071467116 /nfs/dbraw/zinc/46/71/16/1071467116.db2.gz QOTCPLLUVFSFSV-XYGWBWBKSA-N 0 0 501.652 6.375 40 10 KKCBRN CN(C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1)c1ccccc1 ZINC000408975567 1071475436 /nfs/dbraw/zinc/47/54/36/1071475436.db2.gz NCXQTNPVCBYYIG-UHFFFAOYSA-N 0 0 564.670 8.142 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCN(c3ccccn3)CC2)cc1 ZINC000408975248 1071476165 /nfs/dbraw/zinc/47/61/65/1071476165.db2.gz LDZNRIGVMVWOHQ-UHFFFAOYSA-N 0 0 620.738 7.223 40 10 KKCBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)C1 ZINC000408974603 1071479544 /nfs/dbraw/zinc/47/95/44/1071479544.db2.gz FKBGIFAYRXKCCD-RUZDIDTESA-N 0 0 641.797 7.586 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4cccc5cccnc54)o3)sc2=N1 ZINC000408987113 1071482494 /nfs/dbraw/zinc/48/24/94/1071482494.db2.gz AKCSGEWMEZUJOC-XOQPIGPISA-N 0 0 643.794 6.232 40 10 KKCBRN Cc1cccc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408986686 1071487991 /nfs/dbraw/zinc/48/79/91/1071487991.db2.gz CYDUAAYCGHZQMM-HHHXNRCGSA-N 0 0 513.667 5.346 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(OC)c(Cl)c4)C3=O)o2)cc1 ZINC000408986576 1071489312 /nfs/dbraw/zinc/48/93/12/1071489312.db2.gz QQUBNGLDRIQALC-CJLVFECKSA-N 0 0 511.961 6.867 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)C=C2c2ccccc2)cc1 ZINC000408986629 1071489320 /nfs/dbraw/zinc/48/93/20/1071489320.db2.gz RQYSXECHJNNNMV-CJLVFECKSA-N 0 0 518.407 6.496 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Br)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408985856 1071497043 /nfs/dbraw/zinc/49/70/43/1071497043.db2.gz BGMUMJZNCFHTCQ-UHFFFAOYSA-N 0 0 509.425 6.024 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)cc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000408984961 1071504628 /nfs/dbraw/zinc/50/46/28/1071504628.db2.gz JLMPTLDKYWIMKY-HAVVHWLPSA-N 0 0 506.514 6.421 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408984767 1071505120 /nfs/dbraw/zinc/50/51/20/1071505120.db2.gz MQLYWGQIJZOMCK-SLZKQOKCSA-N 0 0 605.760 5.984 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000408984612 1071506905 /nfs/dbraw/zinc/50/69/05/1071506905.db2.gz INWRLRDHYHMQMB-RCCKNPSSSA-N 0 0 516.380 7.511 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)SC(=S)N1c1cccc(Cl)c1 ZINC000408724160 1071511414 /nfs/dbraw/zinc/51/14/14/1071511414.db2.gz GRAXIQYWDVBFBI-VROZCQLMSA-N 0 0 520.850 8.174 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408726168 1071512925 /nfs/dbraw/zinc/51/29/25/1071512925.db2.gz QNHUNJSIVWRXSW-UHFFFAOYSA-N 0 0 560.650 7.173 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408984121 1071513234 /nfs/dbraw/zinc/51/32/34/1071513234.db2.gz FBZYBMKZUQKEBN-DEDYPNTBSA-N 0 0 505.368 6.536 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Oc5ccc(OC)cc5)cc4)C3=O)o2)cc1 ZINC000408983836 1071515371 /nfs/dbraw/zinc/51/53/71/1071515371.db2.gz DLGBBKIDIXOFJU-HPNDGRJYSA-N 0 0 569.613 8.005 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408726467 1071515624 /nfs/dbraw/zinc/51/56/24/1071515624.db2.gz RTZOIDDSDUQNRB-LGUFXXKBSA-N 0 0 520.585 6.529 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408726491 1071516269 /nfs/dbraw/zinc/51/62/69/1071516269.db2.gz SGAOGZGCYOCEDD-UHFFFAOYSA-N 0 0 641.587 7.792 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408726364 1071516819 /nfs/dbraw/zinc/51/68/19/1071516819.db2.gz LUHAKVXASVUJAN-FBHDLOMBSA-N 0 0 577.518 6.729 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408726338 1071516832 /nfs/dbraw/zinc/51/68/32/1071516832.db2.gz NCCHEUICFOXOOM-FSEOGBMLSA-N 0 0 610.519 5.241 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726411 1071516873 /nfs/dbraw/zinc/51/68/73/1071516873.db2.gz RLDKAJLUGWBGEM-NJZRLIGZSA-N 0 0 627.653 7.618 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408726404 1071516959 /nfs/dbraw/zinc/51/69/59/1071516959.db2.gz RJZUBACTATXHAY-LGUFXXKBSA-N 0 0 520.585 6.529 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OC ZINC000408726148 1071517673 /nfs/dbraw/zinc/51/76/73/1071517673.db2.gz QFRRSEKQSHNDHH-XIEYBQDHSA-N 0 0 506.558 6.139 40 10 KKCBRN COc1cc(Br)c(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000408725982 1071518260 /nfs/dbraw/zinc/51/82/60/1071518260.db2.gz NQVUBNQOJHWLLX-HAHDFKILSA-N 0 0 571.427 6.511 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000408725615 1071518851 /nfs/dbraw/zinc/51/88/51/1071518851.db2.gz LGFIMECEIAUVLV-MWAVMZGNSA-N 0 0 617.101 8.363 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408982781 1071523942 /nfs/dbraw/zinc/52/39/42/1071523942.db2.gz FGVCCAAAJYBEFF-USDTVRPUSA-N 0 0 606.144 5.267 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408725046 1071521795 /nfs/dbraw/zinc/52/17/95/1071521795.db2.gz GJJZTJDPVJYJNK-UHFFFAOYSA-N 0 0 631.581 8.336 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1 ZINC000408982966 1071523178 /nfs/dbraw/zinc/52/31/78/1071523178.db2.gz KEQHFVMMFBTNFQ-UAMLYEQYSA-N 0 0 569.727 5.220 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408724779 1071523570 /nfs/dbraw/zinc/52/35/70/1071523570.db2.gz BYGBXPQYVAFIEP-INJWXVQMSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408982190 1071528603 /nfs/dbraw/zinc/52/86/03/1071528603.db2.gz IXGLUSFPBHKGOL-XQNWCSQWSA-N 0 0 557.741 5.236 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408981085 1071536231 /nfs/dbraw/zinc/53/62/31/1071536231.db2.gz YXYCDAIBJBSABT-ZSXMQSLNSA-N 0 0 648.785 5.697 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408979864 1071542576 /nfs/dbraw/zinc/54/25/76/1071542576.db2.gz DDOGYTDWLSEMRX-IEIVDPGYSA-N 0 0 617.727 5.130 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408980209 1071539774 /nfs/dbraw/zinc/53/97/74/1071539774.db2.gz FCNRUWNCVPDPOW-IEIVDPGYSA-N 0 0 573.718 5.652 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408980211 1071539930 /nfs/dbraw/zinc/53/99/30/1071539930.db2.gz FCNRUWNCVPDPOW-LHMNITIUSA-N 0 0 573.718 5.652 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408979339 1071544073 /nfs/dbraw/zinc/54/40/73/1071544073.db2.gz BTHSQUKBKFNSKR-LCQSEVKBSA-N 0 0 560.119 5.476 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995624 1071551601 /nfs/dbraw/zinc/55/16/01/1071551601.db2.gz MQAQOVAVFYBIRW-FYQCMVGJSA-N 0 0 559.540 7.115 40 10 KKCBRN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408994463 1071558900 /nfs/dbraw/zinc/55/89/00/1071558900.db2.gz ZICPLSMIOIFLDT-UHFFFAOYSA-N 0 0 727.849 8.665 40 10 KKCBRN S=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735540 1071559658 /nfs/dbraw/zinc/55/96/58/1071559658.db2.gz RTPYMINNFSCYSL-UHFFFAOYSA-N 0 0 509.432 7.661 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1 ZINC000408993761 1071564314 /nfs/dbraw/zinc/56/43/14/1071564314.db2.gz FOJTXPCHGDORFH-UQDCTOEPSA-N 0 0 604.128 5.034 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408734459 1071566569 /nfs/dbraw/zinc/56/65/69/1071566569.db2.gz SBDQZWCLVJALTN-LFVWUCBPSA-N 0 0 634.596 5.215 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408992563 1071571591 /nfs/dbraw/zinc/57/15/91/1071571591.db2.gz UDANBSLQYZQZRW-MUUNZHRXSA-N 0 0 527.694 5.654 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cc4c(cc3C)OCO4)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408991936 1071576211 /nfs/dbraw/zinc/57/62/11/1071576211.db2.gz RMZVNWOAGYCXSK-UHFFFAOYSA-N 0 0 539.440 6.396 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cccc(Cl)c1 ZINC000408991784 1071577635 /nfs/dbraw/zinc/57/76/35/1071577635.db2.gz YRJVQRWDCRSPOK-XGLZOBASSA-N 0 0 580.537 5.901 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408991549 1071581160 /nfs/dbraw/zinc/58/11/60/1071581160.db2.gz YJASEKFXAKFIEB-HRIDGTDGSA-N 0 0 571.768 5.545 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408991055 1071583546 /nfs/dbraw/zinc/58/35/46/1071583546.db2.gz MMHQCBDWLROMRC-UHFFFAOYSA-N 0 0 584.660 6.697 40 10 KKCBRN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4cc(OC)ccc4OC)cc3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000408990620 1071587775 /nfs/dbraw/zinc/58/77/75/1071587775.db2.gz OGDYLRSIKBDHKM-UHFFFAOYSA-N 0 0 610.688 6.048 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408990466 1071588748 /nfs/dbraw/zinc/58/87/48/1071588748.db2.gz WBYIAPWJGWOCTN-NTNOMAAHSA-N 0 0 622.190 6.613 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727653 1071599090 /nfs/dbraw/zinc/59/90/90/1071599090.db2.gz VFCOBXDCXBQHNY-OXDPQRGISA-N 0 0 612.151 6.021 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)sc2=N1 ZINC000408989009 1071599508 /nfs/dbraw/zinc/59/95/08/1071599508.db2.gz GMMKTHVRSYNVAC-HODAZCCQSA-N 0 0 622.835 6.241 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1Br ZINC000408987817 1071609164 /nfs/dbraw/zinc/60/91/64/1071609164.db2.gz YSOUUZFWCLCJGD-PTGBLXJZSA-N 0 0 531.450 6.156 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCC(=O)Nc2ccccc2C(C)C)N1 ZINC000408987660 1071610269 /nfs/dbraw/zinc/61/02/69/1071610269.db2.gz GFFQUHRYBTZSEU-GDLZYMKVSA-N 0 0 541.721 6.161 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408987729 1071610813 /nfs/dbraw/zinc/61/08/13/1071610813.db2.gz BSPAUNBDUAPYMD-UHFFFAOYSA-N 0 0 691.618 7.998 40 10 KKCBRN C=C/C=C\C=C(/C)C1=C/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccccc1I ZINC000408738258 1071611036 /nfs/dbraw/zinc/61/10/36/1071611036.db2.gz SVPISYPMAHGUOP-DENUECMESA-N 0 0 600.283 8.861 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738095 1071611430 /nfs/dbraw/zinc/61/14/30/1071611430.db2.gz IXGAAGJTLCFALO-VILXJFMTSA-N 0 0 617.771 6.272 40 10 KKCBRN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1 ZINC000408738124 1071612066 /nfs/dbraw/zinc/61/20/66/1071612066.db2.gz OVXKTKLESDRACF-LTGZKZEYSA-N 0 0 574.374 7.239 40 10 KKCBRN C=C/C=C\C=C(/C)C1=C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccccc1I ZINC000408737706 1071612506 /nfs/dbraw/zinc/61/25/06/1071612506.db2.gz FTMJMSGUNNZUFX-CHMQLTIJSA-N 0 0 600.283 8.861 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408737970 1071612523 /nfs/dbraw/zinc/61/25/23/1071612523.db2.gz GSMZVDAHTYRBLP-NBVRZTHBSA-N 0 0 528.187 6.525 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc2ncccc2c1 ZINC000408737944 1071612576 /nfs/dbraw/zinc/61/25/76/1071612576.db2.gz LAKRQTHMAWFXCD-LTGZKZEYSA-N 0 0 509.392 8.273 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408737593 1071613641 /nfs/dbraw/zinc/61/36/41/1071613641.db2.gz FJOGHLNSWMBYIH-CAPFRKAQSA-N 0 0 594.246 7.785 40 10 KKCBRN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408987305 1071613920 /nfs/dbraw/zinc/61/39/20/1071613920.db2.gz WEJCFHLUXDIKQC-SZXQPVLSSA-N 0 0 547.607 7.161 40 10 KKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1 ZINC000408737525 1071614281 /nfs/dbraw/zinc/61/42/81/1071614281.db2.gz COBVEOXONHGIPC-HMMYKYKNSA-N 0 0 502.397 8.123 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408996735 1071615830 /nfs/dbraw/zinc/61/58/30/1071615830.db2.gz MWXPFGJPEWDCSU-QYJHSCKRSA-N 0 0 652.172 5.783 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c1C)CCCC2 ZINC000408744309 1071615873 /nfs/dbraw/zinc/61/58/73/1071615873.db2.gz XSNLHNHJOAQBME-ZTKZIYFRSA-N 0 0 637.827 7.576 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408996469 1071618117 /nfs/dbraw/zinc/61/81/17/1071618117.db2.gz PIDORBRMIJBTAS-LLXISZFLSA-N 0 0 684.681 6.828 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408743412 1071618290 /nfs/dbraw/zinc/61/82/90/1071618290.db2.gz TUAJOCSOTWMIEC-OVCLIPMQSA-N 0 0 620.739 6.543 40 10 KKCBRN CC(=O)Oc1c(I)cc(Br)cc1/C=C1/C=C(c2ccc(Br)cc2)OC1=O ZINC000408743276 1071618385 /nfs/dbraw/zinc/61/83/85/1071618385.db2.gz RWMINTLTRVNXIS-MLPAPPSSSA-N 0 0 590.005 5.723 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408743432 1071618426 /nfs/dbraw/zinc/61/84/26/1071618426.db2.gz UBRUODSKWJXFDB-LCYFTJDESA-N 0 0 517.129 6.361 40 10 KKCBRN CNc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1I ZINC000408743203 1071619109 /nfs/dbraw/zinc/61/91/09/1071619109.db2.gz VJEGIOCCKMCWFX-UHFFFAOYSA-N 0 0 649.226 5.521 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408996167 1071619148 /nfs/dbraw/zinc/61/91/48/1071619148.db2.gz LFVWHOPPMKQSGR-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408741310 1071626741 /nfs/dbraw/zinc/62/67/41/1071626741.db2.gz OYSJYPFOKQEUHY-SPKJYZRXSA-N 0 0 701.848 9.353 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408742114 1071622328 /nfs/dbraw/zinc/62/23/28/1071622328.db2.gz PLHAVXXVXYMYHD-VEILYXNESA-N 0 0 566.654 6.778 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409007095 1071622723 /nfs/dbraw/zinc/62/27/23/1071622723.db2.gz MWDKEIFTLIDMKK-CEUNXORHSA-N 0 0 605.716 6.386 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccc(I)cc2)o1 ZINC000408741824 1071623432 /nfs/dbraw/zinc/62/34/32/1071623432.db2.gz LJBCEDSYXPXTQU-RVDMUPIBSA-N 0 0 519.132 6.295 40 10 KKCBRN COc1ccc2ccc(OC)c(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000409006274 1071626114 /nfs/dbraw/zinc/62/61/14/1071626114.db2.gz IMYKXXPTSPYYBS-OVVQPSECSA-N 0 0 522.626 6.222 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(Br)c(Br)c1OC(C)=O ZINC000408740574 1071629715 /nfs/dbraw/zinc/62/97/15/1071629715.db2.gz CFAGGPDKHFYSJJ-OVCLIPMQSA-N 0 0 508.162 5.435 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740290 1071631473 /nfs/dbraw/zinc/63/14/73/1071631473.db2.gz JVVXHWBIIYDQBO-UHFFFAOYSA-N 0 0 673.794 8.736 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 ZINC000408757088 1071634774 /nfs/dbraw/zinc/63/47/74/1071634774.db2.gz WPCFCHFGWWHNME-YBFXNURJSA-N 0 0 501.797 7.835 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1Cl ZINC000409003294 1071637163 /nfs/dbraw/zinc/63/71/63/1071637163.db2.gz ZGZNFLOOGQPHEK-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409003286 1071637227 /nfs/dbraw/zinc/63/72/27/1071637227.db2.gz ZFUFUMNKXXTZQQ-XIEYBQDHSA-N 0 0 528.634 5.806 40 10 KKCBRN Cc1ccc2cc(C3=C/C(=C\c4cc(-c5ccccc5)n(-c5ccc(Br)cc5)c4-c4ccccc4)C(=O)O3)ccc2c1 ZINC000408755303 1071646061 /nfs/dbraw/zinc/64/60/61/1071646061.db2.gz JKGZWKPIWZDGHA-WEMUVCOSSA-N 0 0 608.535 10.017 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409001210 1071647040 /nfs/dbraw/zinc/64/70/40/1071647040.db2.gz VMABAEISMHPXDR-LLXISZFLSA-N 0 0 731.681 6.670 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409000860 1071648202 /nfs/dbraw/zinc/64/82/02/1071648202.db2.gz NLIKVKBGSQYNAL-UHFFFAOYSA-N 0 0 616.480 6.619 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408754194 1071653948 /nfs/dbraw/zinc/65/39/48/1071653948.db2.gz FCDZYZXKVWGLAB-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1C ZINC000408999757 1071654229 /nfs/dbraw/zinc/65/42/29/1071654229.db2.gz XPKFBYPOKIABGQ-IWVFXYMLSA-N 0 0 518.704 6.425 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408997462 1071663830 /nfs/dbraw/zinc/66/38/30/1071663830.db2.gz GMVJVTCQVMGTJC-PLNPHXOGSA-N 0 0 668.613 6.114 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 ZINC000408751823 1071669013 /nfs/dbraw/zinc/66/90/13/1071669013.db2.gz CPNHQEULUOBAEC-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)cc2OCC)C(=O)N(c2ccccc2)C1=S ZINC000409016992 1071665973 /nfs/dbraw/zinc/66/59/73/1071665973.db2.gz CSMZMOKYKBLMHN-QGOAFFKASA-N 0 0 517.445 5.200 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409016125 1071668339 /nfs/dbraw/zinc/66/83/39/1071668339.db2.gz CJSOIPGJHOSBIB-KOEQRZSOSA-N 0 0 514.050 6.297 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409014418 1071675538 /nfs/dbraw/zinc/67/55/38/1071675538.db2.gz POIWMGKQSYFMIG-NDZAJKAJSA-N 0 0 617.123 6.510 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409014195 1071677182 /nfs/dbraw/zinc/67/71/82/1071677182.db2.gz GMRSIYHBOPBMSF-OBDCIHEFSA-N 0 0 629.804 5.411 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014144 1071677193 /nfs/dbraw/zinc/67/71/93/1071677193.db2.gz FNZPEAMMIMDBIL-BUVRLJJBSA-N 0 0 518.013 6.046 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409013850 1071678264 /nfs/dbraw/zinc/67/82/64/1071678264.db2.gz WHRSRCHVPFIGPD-AGZSBTIMSA-N 0 0 511.825 5.498 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013896 1071678838 /nfs/dbraw/zinc/67/88/38/1071678838.db2.gz OHXCLYFXLFEKIT-STBIYBPSSA-N 0 0 618.111 5.592 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409013536 1071679303 /nfs/dbraw/zinc/67/93/03/1071679303.db2.gz BDIHFPNXJOACFI-QRVIBDJDSA-N 0 0 525.830 6.387 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013516 1071679328 /nfs/dbraw/zinc/67/93/28/1071679328.db2.gz NPGXMMRDUHGSPQ-BIZUNTBRSA-N 0 0 661.176 6.514 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013782 1071679352 /nfs/dbraw/zinc/67/93/52/1071679352.db2.gz VJSWXKYYNWWNIP-FDAWAROLSA-N 0 0 681.594 6.859 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011597 1071686864 /nfs/dbraw/zinc/68/68/64/1071686864.db2.gz NTODRSCIOWPPLR-NDZAJKAJSA-N 0 0 617.123 6.510 40 10 KKCBRN COc1cccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C ZINC000409011650 1071686914 /nfs/dbraw/zinc/68/69/14/1071686914.db2.gz HXQDPUBFSQFEEK-ULJHMMPZSA-N 0 0 500.620 5.848 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011372 1071687900 /nfs/dbraw/zinc/68/79/00/1071687900.db2.gz GHWBUVDLDUAMJG-OGLMXYFKSA-N 0 0 720.458 8.552 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409008843 1071697704 /nfs/dbraw/zinc/69/77/04/1071697704.db2.gz MMISQHNFPAEMLL-PCLIKHOPSA-N 0 0 689.976 7.647 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409008902 1071697739 /nfs/dbraw/zinc/69/77/39/1071697739.db2.gz ABYKKVBIACYUKV-OGLMXYFKSA-N 0 0 607.084 5.790 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010125 1071693637 /nfs/dbraw/zinc/69/36/37/1071693637.db2.gz DMTCNIFXTXGAQN-ZXVVBBHZSA-N 0 0 643.234 7.504 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009727 1071694102 /nfs/dbraw/zinc/69/41/02/1071694102.db2.gz HRXXRURDWNROTD-AFUMVMLFSA-N 0 0 651.996 6.960 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409009740 1071694672 /nfs/dbraw/zinc/69/46/72/1071694672.db2.gz BQSRPHPCEJPCGA-WORIPGKHSA-N 0 0 551.646 6.141 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009253 1071696728 /nfs/dbraw/zinc/69/67/28/1071696728.db2.gz CKWOOFCOHSKJBN-TURZUDJPSA-N 0 0 600.668 5.995 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409008780 1071698370 /nfs/dbraw/zinc/69/83/70/1071698370.db2.gz HHBNYHXUICTIPF-ZEXXOWEESA-N 0 0 631.150 6.758 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409007377 1071703054 /nfs/dbraw/zinc/70/30/54/1071703054.db2.gz OHEUYCRQUUEQDQ-FUFNRSNVSA-N 0 0 560.119 5.476 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409008337 1071700373 /nfs/dbraw/zinc/70/03/73/1071700373.db2.gz WDOYKIZWANJLGV-LFVJCYFKSA-N 0 0 593.543 7.002 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)NC1=S ZINC000409007990 1071701369 /nfs/dbraw/zinc/70/13/69/1071701369.db2.gz TZSVOMFOJYHDGC-PXNMLYILSA-N 0 0 565.114 6.175 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408757863 1071708804 /nfs/dbraw/zinc/70/88/04/1071708804.db2.gz DMUWGLWUNBWFFM-XSFVSMFZSA-N 0 0 507.840 7.460 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024368 1071712317 /nfs/dbraw/zinc/71/23/17/1071712317.db2.gz XOHTZBKBNUKGQA-CXABMRDKSA-N 0 0 598.769 5.061 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409023228 1071716430 /nfs/dbraw/zinc/71/64/30/1071716430.db2.gz VQOFRCDZSDUDNO-OVVQPSECSA-N 0 0 607.736 6.127 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409022897 1071717233 /nfs/dbraw/zinc/71/72/33/1071717233.db2.gz HTAHZKVKOIRDLH-RAWKODRKSA-N 0 0 593.778 5.409 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409022788 1071717731 /nfs/dbraw/zinc/71/77/31/1071717731.db2.gz FLCLPXHCVZZYIE-IYCJABBDSA-N 0 0 646.769 5.138 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409022466 1071718983 /nfs/dbraw/zinc/71/89/83/1071718983.db2.gz OZKRUNKDNPANTB-UFKHLRDRSA-N 0 0 666.199 6.092 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020406 1071726636 /nfs/dbraw/zinc/72/66/36/1071726636.db2.gz OXYMCMZPLSMWOH-QNKGDIEWSA-N 0 0 675.203 6.556 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409021603 1071722701 /nfs/dbraw/zinc/72/27/01/1071722701.db2.gz PJAREGDJGWWFQN-OGMUYLFESA-N 0 0 627.763 5.090 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409021339 1071723522 /nfs/dbraw/zinc/72/35/22/1071723522.db2.gz BZBLQNFIGGLTMG-CFEDROAVSA-N 0 0 579.747 5.713 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409020701 1071725707 /nfs/dbraw/zinc/72/57/07/1071725707.db2.gz SFEUWBHVOJEUHP-ZMOGYAJESA-N 0 0 582.440 5.335 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409020784 1071726174 /nfs/dbraw/zinc/72/61/74/1071726174.db2.gz TXDOPNNQMUSCCR-KQWNVCNZSA-N 0 0 508.540 6.689 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020385 1071726576 /nfs/dbraw/zinc/72/65/76/1071726576.db2.gz OTHVWCUPOSQERJ-WSDLNYQXSA-N 0 0 581.861 5.596 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409019376 1071730080 /nfs/dbraw/zinc/73/00/80/1071730080.db2.gz YXUVRIFDLYWBLV-TWKHWXDSSA-N 0 0 739.674 7.218 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)S1 ZINC000408763917 1071730529 /nfs/dbraw/zinc/73/05/29/1071730529.db2.gz QCCQLMBDFPXREU-JAIQZWGSSA-N 0 0 560.267 6.050 40 10 KKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408763919 1071730614 /nfs/dbraw/zinc/73/06/14/1071730614.db2.gz QCTFPBGWODSGQW-CPNJWEJPSA-N 0 0 538.810 7.060 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408763713 1071730644 /nfs/dbraw/zinc/73/06/44/1071730644.db2.gz UJJAZXDZSPWVET-NTUHNPAUSA-N 0 0 634.062 5.190 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409018901 1071730849 /nfs/dbraw/zinc/73/08/49/1071730849.db2.gz YECMKOYOYQTLKD-HGGMLFSRSA-N 0 0 660.840 6.196 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408763301 1071732698 /nfs/dbraw/zinc/73/26/98/1071732698.db2.gz MPODTZQXUUOCIT-CPNJWEJPSA-N 0 0 572.709 7.914 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)S1 ZINC000408763551 1071731423 /nfs/dbraw/zinc/73/14/23/1071731423.db2.gz PQMCZYGTYMDSIN-JJFYIABZSA-N 0 0 544.511 5.920 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408763550 1071731446 /nfs/dbraw/zinc/73/14/46/1071731446.db2.gz STMZJCVQVAXPAT-QZVQSRICSA-N 0 0 698.639 6.123 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409037069 1071738198 /nfs/dbraw/zinc/73/81/98/1071738198.db2.gz XJHALCKERJPLOX-YVLHZVERSA-N 0 0 564.341 7.806 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000408761988 1071737611 /nfs/dbraw/zinc/73/76/11/1071737611.db2.gz IQNCCTSJCAJXML-UDWIEESQSA-N 0 0 553.865 7.169 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408763094 1071734259 /nfs/dbraw/zinc/73/42/59/1071734259.db2.gz DMONCNNBAKNCMI-JVWAILMASA-N 0 0 552.114 8.296 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409018157 1071734475 /nfs/dbraw/zinc/73/44/75/1071734475.db2.gz XUXTYPLWHNRJBH-ZVHZXABRSA-N 0 0 582.440 5.417 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017752 1071734818 /nfs/dbraw/zinc/73/48/18/1071734818.db2.gz HASWECUEMQOUBI-NHFJDJAPSA-N 0 0 514.695 5.894 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409037130 1071738687 /nfs/dbraw/zinc/73/86/87/1071738687.db2.gz SGBRYKBFEOREOL-YHYXMXQVSA-N 0 0 648.107 5.796 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409036761 1071739907 /nfs/dbraw/zinc/73/99/07/1071739907.db2.gz BGGZOOQFPHDGBE-PXNMLYILSA-N 0 0 662.780 7.424 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409036340 1071743427 /nfs/dbraw/zinc/74/34/27/1071743427.db2.gz RAKQQGGXKXZTOU-IPAKXIGBSA-N 0 0 624.590 6.300 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1 ZINC000409036305 1071743015 /nfs/dbraw/zinc/74/30/15/1071743015.db2.gz QVBMBZIEYHXNFU-VIZOYTHASA-N 0 0 541.303 7.382 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)c1 ZINC000408769970 1071744707 /nfs/dbraw/zinc/74/47/07/1071744707.db2.gz RFWRSDOXNUALMO-HVDVVURSSA-N 0 0 700.602 5.895 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035338 1071752469 /nfs/dbraw/zinc/75/24/69/1071752469.db2.gz SGDJNVBNILISHQ-ITNPZBTBSA-N 0 0 620.171 5.655 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)sc2=N1 ZINC000409035405 1071750613 /nfs/dbraw/zinc/75/06/13/1071750613.db2.gz SMZMCCVGJXMIQG-LMBBUSAASA-N 0 0 603.744 5.785 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2cccc(F)c2)c2ccccc12 ZINC000409034981 1071754870 /nfs/dbraw/zinc/75/48/70/1071754870.db2.gz IPVJIMMQRZSNGJ-UDWIEESQSA-N 0 0 542.504 7.773 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409034984 1071754924 /nfs/dbraw/zinc/75/49/24/1071754924.db2.gz IQACQKZPTHSKGM-OVCLIPMQSA-N 0 0 555.272 6.669 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1 ZINC000409034235 1071761413 /nfs/dbraw/zinc/76/14/13/1071761413.db2.gz QACJBNRCNYSVIG-VIZOYTHASA-N 0 0 724.205 7.285 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408774868 1071758394 /nfs/dbraw/zinc/75/83/94/1071758394.db2.gz DFMQNTMWFMSMSH-ODHYRZOZSA-N 0 0 531.008 5.791 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408774022 1071764678 /nfs/dbraw/zinc/76/46/78/1071764678.db2.gz LEWUFKOHQWXULZ-GGMSWHNTSA-N 0 0 510.590 5.210 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Br)cc1 ZINC000409033208 1071771149 /nfs/dbraw/zinc/77/11/49/1071771149.db2.gz NVXSPZABCPJGIF-CXUHLZMHSA-N 0 0 567.308 6.538 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409033316 1071771547 /nfs/dbraw/zinc/77/15/47/1071771547.db2.gz KZBZZEPWASIESC-CHHVJCJISA-N 0 0 606.172 7.837 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409032651 1071777541 /nfs/dbraw/zinc/77/75/41/1071777541.db2.gz CVSVQMLICDTBET-NSIKDUERSA-N 0 0 697.225 8.077 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409031752 1071785099 /nfs/dbraw/zinc/78/50/99/1071785099.db2.gz KVBINZNFPSAIFA-XSTKMXAKSA-N 0 0 730.068 6.561 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1 ZINC000409031240 1071790695 /nfs/dbraw/zinc/79/06/95/1071790695.db2.gz JOOSIQKRGGONAP-SXGWCWSVSA-N 0 0 628.335 6.771 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770389 1071786759 /nfs/dbraw/zinc/78/67/59/1071786759.db2.gz WZGRENMMGQNEGZ-VIYYDIFJSA-N 0 0 671.013 5.639 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000408770123 1071787228 /nfs/dbraw/zinc/78/72/28/1071787228.db2.gz SZBVODVLLYIYQX-DBHVVYFFSA-N 0 0 612.582 7.042 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409031370 1071789062 /nfs/dbraw/zinc/78/90/62/1071789062.db2.gz AGBODAOVXULMMA-AUWJEWJLSA-N 0 0 634.168 7.431 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1cccc2ccccc21 ZINC000409031075 1071791692 /nfs/dbraw/zinc/79/16/92/1071791692.db2.gz GMQGUKJUVFZLQJ-HMAPJEAMSA-N 0 0 545.511 7.653 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000409030769 1071794182 /nfs/dbraw/zinc/79/41/82/1071794182.db2.gz HTVNLORMHOHRCH-CCORILLZSA-N 0 0 662.650 6.374 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408769153 1071794976 /nfs/dbraw/zinc/79/49/76/1071794976.db2.gz OYHFBTRVPRTNQP-QRVIBDJDSA-N 0 0 570.281 6.496 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409030696 1071796351 /nfs/dbraw/zinc/79/63/51/1071796351.db2.gz HKKJNFIWNBMJAL-WOJGMQOQSA-N 0 0 593.404 8.941 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409030317 1071798207 /nfs/dbraw/zinc/79/82/07/1071798207.db2.gz CZPVXFBMLUDDEV-CXUHLZMHSA-N 0 0 582.279 6.438 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408768716 1071798819 /nfs/dbraw/zinc/79/88/19/1071798819.db2.gz ILSUUUOFRSAGHP-FRKPEAEDSA-N 0 0 515.248 5.288 40 10 KKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408767412 1071809671 /nfs/dbraw/zinc/80/96/71/1071809671.db2.gz XFUYXZRADYSVPE-CPNJWEJPSA-N 0 0 511.803 7.291 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037600 1071820542 /nfs/dbraw/zinc/82/05/42/1071820542.db2.gz DFIHGLGGARXSAC-ZJKBLPEWSA-N 0 0 770.746 7.343 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1F ZINC000409037568 1071823300 /nfs/dbraw/zinc/82/33/00/1071823300.db2.gz SVNXVRMKHKBXEK-NVNXTCNLSA-N 0 0 585.298 6.677 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037597 1071820461 /nfs/dbraw/zinc/82/04/61/1071820461.db2.gz DFIHGLGGARXSAC-QPKMOXKASA-N 0 0 770.746 7.343 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c2n1Cc1ccccc1 ZINC000409047243 1071825441 /nfs/dbraw/zinc/82/54/41/1071825441.db2.gz LZMIZAOCJFWRPR-XDHOZWIPSA-N 0 0 509.478 6.808 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409046518 1071830964 /nfs/dbraw/zinc/83/09/64/1071830964.db2.gz RKNRNJQPXRKIMJ-HZHHUVPKSA-N 0 0 613.780 5.564 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045072 1071842852 /nfs/dbraw/zinc/84/28/52/1071842852.db2.gz YBWGOCQDGCIKEO-UHFFFAOYSA-N 0 0 596.039 6.258 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409044585 1071849022 /nfs/dbraw/zinc/84/90/22/1071849022.db2.gz GZVKPNWWBPRZPW-OCDQFKQQSA-N 0 0 644.750 5.218 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000409044065 1071852419 /nfs/dbraw/zinc/85/24/19/1071852419.db2.gz GLVWLZPECHCDKD-LSCVHKIXSA-N 0 0 610.220 7.955 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409043791 1071855730 /nfs/dbraw/zinc/85/57/30/1071855730.db2.gz ZPUITGLZBUEUDN-NSQMGQQPSA-N 0 0 573.718 5.873 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409043959 1071854325 /nfs/dbraw/zinc/85/43/25/1071854325.db2.gz AGJGJVMOCWWQTC-KEBDBYFISA-N 0 0 526.332 5.455 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000409043826 1071856451 /nfs/dbraw/zinc/85/64/51/1071856451.db2.gz ZVLHLHYHMNWFIE-MHWRWJLKSA-N 0 0 537.282 6.530 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408785359 1071857791 /nfs/dbraw/zinc/85/77/91/1071857791.db2.gz YNOIOEVZZSFGMT-IMRQLAEWSA-N 0 0 526.589 5.288 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)sc2=N1 ZINC000409042845 1071863813 /nfs/dbraw/zinc/86/38/13/1071863813.db2.gz XXZLIEVWBMAAJQ-UTAOYMJKSA-N 0 0 650.782 6.265 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409042859 1071863849 /nfs/dbraw/zinc/86/38/49/1071863849.db2.gz DBLCVWRSZPDHBY-JAIQZWGSSA-N 0 0 540.932 6.937 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)sc2=N1 ZINC000409042796 1071866270 /nfs/dbraw/zinc/86/62/70/1071866270.db2.gz XUAGXGJLQZKPRM-QPJBPQEWSA-N 0 0 637.543 5.119 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409042265 1071871004 /nfs/dbraw/zinc/87/10/04/1071871004.db2.gz LZOHAQPOFKLUKZ-LPYMAVHISA-N 0 0 581.410 5.432 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408783325 1071871122 /nfs/dbraw/zinc/87/11/22/1071871122.db2.gz MSEMQHQDGAGIEK-JLPGSUDCSA-N 0 0 505.412 6.124 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041870 1071875742 /nfs/dbraw/zinc/87/57/42/1071875742.db2.gz VZJZZINLEMVJCW-XFPFAXQNSA-N 0 0 679.795 5.310 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409042176 1071873339 /nfs/dbraw/zinc/87/33/39/1071873339.db2.gz WMTOIKONRNLCIY-NVNXTCNLSA-N 0 0 527.276 7.074 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000409042243 1071873910 /nfs/dbraw/zinc/87/39/10/1071873910.db2.gz WVTZSEPYUJLITF-VXLYETTFSA-N 0 0 664.368 7.534 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccccc1Cl ZINC000409040799 1071885654 /nfs/dbraw/zinc/88/56/54/1071885654.db2.gz IHOUSTYPKLPFIJ-VGOFMYFVSA-N 0 0 601.753 7.192 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 ZINC000409040451 1071890884 /nfs/dbraw/zinc/89/08/84/1071890884.db2.gz XUXQNUKGWOLXTF-VIZOYTHASA-N 0 0 541.303 7.382 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409039632 1071895838 /nfs/dbraw/zinc/89/58/38/1071895838.db2.gz HEGYPSKOPIATJA-FBHDLOMBSA-N 0 0 506.487 6.202 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039758 1071896874 /nfs/dbraw/zinc/89/68/74/1071896874.db2.gz SAKUZZVTLZQINE-ZSXMQSLNSA-N 0 0 635.786 6.155 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038753 1071904135 /nfs/dbraw/zinc/90/41/35/1071904135.db2.gz FMYSCLMPAFRFHL-UOVKPGFYSA-N 0 0 769.658 5.069 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038836 1071904834 /nfs/dbraw/zinc/90/48/34/1071904834.db2.gz PQDXJUNJDVMPEQ-ZJKBLPEWSA-N 0 0 709.840 6.720 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408805876 1071905733 /nfs/dbraw/zinc/90/57/33/1071905733.db2.gz LYWINUBXQCVYHS-YYVUOPGCSA-N 0 0 526.770 8.446 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409038475 1071906736 /nfs/dbraw/zinc/90/67/36/1071906736.db2.gz VNRYYPJMMQPGQH-CXUHLZMHSA-N 0 0 555.272 6.669 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409050695 1071910766 /nfs/dbraw/zinc/91/07/66/1071910766.db2.gz YQJMRIWUZYPDKZ-JJFYIABZSA-N 0 0 620.405 8.482 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408802154 1071912547 /nfs/dbraw/zinc/91/25/47/1071912547.db2.gz XFCIHAUXZUUFBW-AHVBHIFMSA-N 0 0 505.107 7.802 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409056627 1071920260 /nfs/dbraw/zinc/92/02/60/1071920260.db2.gz NFDRFCXQDTZFDO-QQXSKIMKSA-N 0 0 519.041 6.722 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409056783 1071919413 /nfs/dbraw/zinc/91/94/13/1071919413.db2.gz NUSZJBADOREAMY-UNOMPAQXSA-N 0 0 515.824 6.932 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409055787 1071925648 /nfs/dbraw/zinc/92/56/48/1071925648.db2.gz PZXLBLKCLLYOBW-UCQKPKSFSA-N 0 0 509.375 5.873 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409055018 1071930589 /nfs/dbraw/zinc/93/05/89/1071930589.db2.gz HQLCPJDEUXWYEF-MSXFZWOLSA-N 0 0 623.421 8.443 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409054575 1071933165 /nfs/dbraw/zinc/93/31/65/1071933165.db2.gz SOCQTJMMMLFDQJ-WQRHYEAKSA-N 0 0 525.433 5.408 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409054207 1071935568 /nfs/dbraw/zinc/93/55/68/1071935568.db2.gz IBRAWEYVRUIEBY-AQTBWJFISA-N 0 0 515.824 6.932 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054083 1071934657 /nfs/dbraw/zinc/93/46/57/1071934657.db2.gz MKDWCWFUHOAGLO-UMWOECMCSA-N 0 0 595.765 5.731 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409054020 1071936034 /nfs/dbraw/zinc/93/60/34/1071936034.db2.gz LQQPXDSLZFLBCZ-QNGOZBTKSA-N 0 0 504.970 5.411 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409054002 1071936135 /nfs/dbraw/zinc/93/61/35/1071936135.db2.gz PPSYEMUMNFJJNN-UUYOSTAYSA-N 0 0 518.462 7.421 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409053135 1071941841 /nfs/dbraw/zinc/94/18/41/1071941841.db2.gz XSIBVLMWVONFDE-OYKKKHCWSA-N 0 0 680.427 7.741 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409053023 1071942787 /nfs/dbraw/zinc/94/27/87/1071942787.db2.gz WDZYBLYYDVXVIZ-QRVIBDJDSA-N 0 0 574.949 7.400 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409052373 1071946341 /nfs/dbraw/zinc/94/63/41/1071946341.db2.gz DDCGDCBNILCRFP-MYYYXRDXSA-N 0 0 505.014 6.332 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccc(F)cc4)c(I)c3)SC2=S)cc1 ZINC000409051837 1071949773 /nfs/dbraw/zinc/94/97/73/1071949773.db2.gz CZWINFDCRVVQTN-UUYOSTAYSA-N 0 0 701.364 7.324 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409051489 1071950802 /nfs/dbraw/zinc/95/08/02/1071950802.db2.gz ANLSSWKEGBQGDO-OYKKKHCWSA-N 0 0 619.521 7.118 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(C)c1 ZINC000409048298 1071972041 /nfs/dbraw/zinc/97/20/41/1071972041.db2.gz WBNRTPAYBJURDA-WOJGMQOQSA-N 0 0 516.466 6.474 40 10 KKCBRN COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409048202 1071973916 /nfs/dbraw/zinc/97/39/16/1071973916.db2.gz RHPVVUMHQRYJJA-UHFFFAOYSA-N 0 0 556.210 5.804 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000409047954 1071974537 /nfs/dbraw/zinc/97/45/37/1071974537.db2.gz NUSQUNQYUHBRGI-XIHDXPBISA-N 0 0 642.580 6.441 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409048003 1071974864 /nfs/dbraw/zinc/97/48/64/1071974864.db2.gz VOZXTPGDBMWWFI-GRSHGNNSSA-N 0 0 510.450 6.033 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409047525 1071978237 /nfs/dbraw/zinc/97/82/37/1071978237.db2.gz OFSJOMOONRFZOY-LDADJPATSA-N 0 0 645.837 5.027 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409047779 1071978255 /nfs/dbraw/zinc/97/82/55/1071978255.db2.gz UVOWMLLRCBNGGF-RZNTYIFUSA-N 0 0 685.068 8.599 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409059504 1071979868 /nfs/dbraw/zinc/97/98/68/1071979868.db2.gz RRRUDXBNYPDOEP-XYGWBWBKSA-N 0 0 535.040 6.422 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000409059125 1071982681 /nfs/dbraw/zinc/98/26/81/1071982681.db2.gz PNXICKPFMZCDNA-QFEZKATASA-N 0 0 508.540 6.607 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409059060 1071982692 /nfs/dbraw/zinc/98/26/92/1071982692.db2.gz QRPGIEQMNPPPSA-UEEULMSBSA-N 0 0 607.776 5.713 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409059112 1071982745 /nfs/dbraw/zinc/98/27/45/1071982745.db2.gz PGDABTCISJRUED-HAHDFKILSA-N 0 0 505.412 6.042 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409058824 1071984980 /nfs/dbraw/zinc/98/49/80/1071984980.db2.gz LLDAYKLSIXVCRH-ASZNLBCTSA-N 0 0 580.150 5.149 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409057601 1071991376 /nfs/dbraw/zinc/99/13/76/1071991376.db2.gz HMYUITLUTZVBFP-YSGLVZJUSA-N 0 0 607.776 5.631 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409058364 1071987127 /nfs/dbraw/zinc/98/71/27/1071987127.db2.gz ODCJELLSDYUDHY-QVOHLBINSA-N 0 0 555.103 5.128 40 10 KKCBRN CCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409057498 1071992964 /nfs/dbraw/zinc/99/29/64/1071992964.db2.gz PJJDTVITRLCJNN-UHFFFAOYSA-N 0 0 570.237 6.194 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409057532 1071993095 /nfs/dbraw/zinc/99/30/95/1071993095.db2.gz HDNVVMGNQAAASF-KUSDHMTMSA-N 0 0 614.167 5.506 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409066557 1072002649 /nfs/dbraw/zinc/00/26/49/1072002649.db2.gz VZPFWXFDVHYHSK-WXKAHTKJSA-N 0 0 751.687 6.227 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409065742 1072007955 /nfs/dbraw/zinc/00/79/55/1072007955.db2.gz MOZQZIJEPMTFBJ-UFFVCSGVSA-N 0 0 502.771 5.742 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409064897 1072011452 /nfs/dbraw/zinc/01/14/52/1072011452.db2.gz QSCRGIYPCTYUPJ-YNMQQHPQSA-N 0 0 576.118 5.258 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000409062735 1072023098 /nfs/dbraw/zinc/02/30/98/1072023098.db2.gz AAKALDXOWNPYSI-ANYBSYGZSA-N 0 0 578.690 7.269 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409062570 1072023444 /nfs/dbraw/zinc/02/34/44/1072023444.db2.gz WXJDACZJXXVYIK-IWIPYMOSSA-N 0 0 508.043 5.458 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409061424 1072028892 /nfs/dbraw/zinc/02/88/92/1072028892.db2.gz ZRNNZWQOVOLZJJ-ZEZCTPEWSA-N 0 0 581.738 5.341 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409062369 1072025188 /nfs/dbraw/zinc/02/51/88/1072025188.db2.gz SOKIKTLPCVLQRP-UCQKPKSFSA-N 0 0 535.438 6.051 40 10 KKCBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409061395 1072028964 /nfs/dbraw/zinc/02/89/64/1072028964.db2.gz ZHRGXEKNVYWROQ-XKZIYDEJSA-N 0 0 514.434 5.549 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409061335 1072030413 /nfs/dbraw/zinc/03/04/13/1072030413.db2.gz ZGUMNPMNFWIGEB-UUYOSTAYSA-N 0 0 555.856 6.396 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409077035 1072042790 /nfs/dbraw/zinc/04/27/90/1072042790.db2.gz CRYCHXJEAFKPGQ-CTPANLQCSA-N 0 0 552.487 5.946 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000409076881 1072045000 /nfs/dbraw/zinc/04/50/00/1072045000.db2.gz BQKHMJPMWODDKQ-OGMUYLFESA-N 0 0 619.703 5.198 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1Cl ZINC000409074666 1072068198 /nfs/dbraw/zinc/06/81/98/1072068198.db2.gz WLTGZRQJXISZHP-PKAZHMFMSA-N 0 0 570.114 7.121 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080604 1072122324 /nfs/dbraw/zinc/12/23/24/1072122324.db2.gz ITGARXNMJKYLFY-CRCYZHLCSA-N 0 0 640.987 5.630 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n32)cc1 ZINC000409080648 1072122361 /nfs/dbraw/zinc/12/23/61/1072122361.db2.gz FNVFMDYBPZKUPO-ASUJOLEISA-N 0 0 700.602 5.895 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409080662 1072120253 /nfs/dbraw/zinc/12/02/53/1072120253.db2.gz FNYFZNIFKLPZTG-XXZGICNZSA-N 0 0 638.230 7.478 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409080495 1072123722 /nfs/dbraw/zinc/12/37/22/1072123722.db2.gz DVDBIUVOXRSHBH-UHFFFAOYSA-N 0 0 792.436 8.376 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409080306 1072125134 /nfs/dbraw/zinc/12/51/34/1072125134.db2.gz MVTUGOARGHYOGK-UMUMUWHJSA-N 0 0 599.487 5.788 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079338 1072137295 /nfs/dbraw/zinc/13/72/95/1072137295.db2.gz JKAUYYRSPCHFKH-BCUAHEQISA-N 0 0 524.889 6.062 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2Br)cc1 ZINC000409079325 1072137308 /nfs/dbraw/zinc/13/73/08/1072137308.db2.gz FKQUBNNFKIITEB-LELXDKESSA-N 0 0 583.367 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409078724 1072143066 /nfs/dbraw/zinc/14/30/66/1072143066.db2.gz JHWMIAXYVJSGCK-PADWCVLASA-N 0 0 636.360 6.566 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409086921 1072162219 /nfs/dbraw/zinc/16/22/19/1072162219.db2.gz SBGRBKNCTBYTHS-UMUMUWHJSA-N 0 0 520.470 5.417 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409086044 1072171994 /nfs/dbraw/zinc/17/19/94/1072171994.db2.gz YCAMXOZDHQPMJG-CTPANLQCSA-N 0 0 508.036 5.837 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409086037 1072172036 /nfs/dbraw/zinc/17/20/36/1072172036.db2.gz YBNJGUQRUXZARF-XYGWBWBKSA-N 0 0 529.423 7.416 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409085616 1072177733 /nfs/dbraw/zinc/17/77/33/1072177733.db2.gz DYTYJMMRIMTXLJ-HDFSHUSISA-N 0 0 573.162 5.473 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409084081 1072193403 /nfs/dbraw/zinc/19/34/03/1072193403.db2.gz PCDFINRKAVGGET-HQOKVJKCSA-N 0 0 538.460 5.556 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409083730 1072195979 /nfs/dbraw/zinc/19/59/79/1072195979.db2.gz VWKNEBFJKRTYSF-UMUMUWHJSA-N 0 0 613.393 6.570 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409082637 1072209606 /nfs/dbraw/zinc/20/96/06/1072209606.db2.gz SDIQXLLASNGVEP-UHFFFAOYSA-N 0 0 652.328 7.927 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409081656 1072222216 /nfs/dbraw/zinc/22/22/16/1072222216.db2.gz KPJVROWCNPSLIY-LELXDKESSA-N 0 0 554.915 6.070 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409097078 1072230620 /nfs/dbraw/zinc/23/06/20/1072230620.db2.gz MKMBPWWVEGRVFC-XQNWCSQWSA-N 0 0 604.132 5.073 40 10 KKCBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409097108 1072230622 /nfs/dbraw/zinc/23/06/22/1072230622.db2.gz LNYKJFLODAMMOL-HIQXPHMNSA-N 0 0 550.633 5.814 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081004 1072227296 /nfs/dbraw/zinc/22/72/96/1072227296.db2.gz OXWOWWKFAIVXEI-IWIPYMOSSA-N 0 0 606.289 7.764 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087319 1072228554 /nfs/dbraw/zinc/22/85/54/1072228554.db2.gz CCSOJOQSCUFUQT-IWIPYMOSSA-N 0 0 633.296 7.533 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096644 1072232763 /nfs/dbraw/zinc/23/27/63/1072232763.db2.gz LRKRVHRMPTZGCS-FJSZTYFPSA-N 0 0 633.612 5.094 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409095691 1072239443 /nfs/dbraw/zinc/23/94/43/1072239443.db2.gz IHYPMOHJGGKYQF-LQKURTRISA-N 0 0 605.112 7.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409327275 1072240933 /nfs/dbraw/zinc/24/09/33/1072240933.db2.gz ITXVVJHHBCBXEK-XKZIYDEJSA-N 0 0 607.922 7.328 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409327300 1072241096 /nfs/dbraw/zinc/24/10/96/1072241096.db2.gz IZQYDDMIJDPGOX-LSFURLLWSA-N 0 0 546.453 6.716 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)C2=O)cc1 ZINC000409095399 1072241462 /nfs/dbraw/zinc/24/14/62/1072241462.db2.gz HMEYXRJIOFVHJH-MFKUBSTISA-N 0 0 547.633 5.263 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000409326416 1072247659 /nfs/dbraw/zinc/24/76/59/1072247659.db2.gz BMGNENDBQVDUCQ-CFRMEGHHSA-N 0 0 525.482 7.411 40 10 KKCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000409327086 1072243578 /nfs/dbraw/zinc/24/35/78/1072243578.db2.gz HSLLEOKDUZZYNP-UKWGHVSLSA-N 0 0 535.529 5.685 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409326913 1072244054 /nfs/dbraw/zinc/24/40/54/1072244054.db2.gz GKKPMIVAXYKOOM-YDZHTSKRSA-N 0 0 535.603 5.335 40 10 KKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409326370 1072249456 /nfs/dbraw/zinc/24/94/56/1072249456.db2.gz AZRJVFQKENGQSR-ZTPSMGMTSA-N 0 0 512.878 6.694 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409093657 1072250255 /nfs/dbraw/zinc/25/02/55/1072250255.db2.gz AYHDQIOZQPJIFM-UXHLAJHPSA-N 0 0 598.721 7.770 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409093073 1072255657 /nfs/dbraw/zinc/25/56/57/1072255657.db2.gz XDCOINJYAMTRCR-ONUIUJJFSA-N 0 0 587.901 7.915 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409092202 1072263550 /nfs/dbraw/zinc/26/35/50/1072263550.db2.gz SZULGMGGUGXDDD-UQQQWYQISA-N 0 0 637.939 7.103 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409092265 1072263865 /nfs/dbraw/zinc/26/38/65/1072263865.db2.gz UUTDFTOEAIPFNN-HDOAHBKWSA-N 0 0 508.434 5.547 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)S1 ZINC000409092096 1072265342 /nfs/dbraw/zinc/26/53/42/1072265342.db2.gz TUCLIMUEIUQFDO-CAOOACKPSA-N 0 0 524.234 5.205 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)NC1=S ZINC000409091575 1072270919 /nfs/dbraw/zinc/27/09/19/1072270919.db2.gz RLPVLGPDSCMMFL-WQRHYEAKSA-N 0 0 509.853 5.548 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409090972 1072276669 /nfs/dbraw/zinc/27/66/69/1072276669.db2.gz OCDCATXEBBGLEH-COEJQBHMSA-N 0 0 603.516 8.415 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090779 1072277460 /nfs/dbraw/zinc/27/74/60/1072277460.db2.gz ONTVHEAMOFFEOQ-IVRZUQNJSA-N 0 0 678.649 5.992 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089878 1072285379 /nfs/dbraw/zinc/28/53/79/1072285379.db2.gz KTKNZVHXHFSNJV-VCHYOVAHSA-N 0 0 531.874 6.874 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1 ZINC000409099702 1072324430 /nfs/dbraw/zinc/32/44/30/1072324430.db2.gz SFFKGOIFBQPHQV-WGOQTCKBSA-N 0 0 517.651 6.291 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409098043 1072333622 /nfs/dbraw/zinc/33/36/22/1072333622.db2.gz IESKXEIMJOVDJD-KZKMUKRCSA-N 0 0 559.471 6.578 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c1 ZINC000409335645 1072337115 /nfs/dbraw/zinc/33/71/15/1072337115.db2.gz XZAMCQHXZRWPNF-GATIEOLUSA-N 0 0 559.694 6.136 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409335609 1072337153 /nfs/dbraw/zinc/33/71/53/1072337153.db2.gz XTLJLEITDOQFLX-JJFYIABZSA-N 0 0 614.545 8.229 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107057 1072340752 /nfs/dbraw/zinc/34/07/52/1072340752.db2.gz PXZXGTIWETYURZ-MDINZUHSSA-N 0 0 676.839 5.768 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000409334942 1072343109 /nfs/dbraw/zinc/34/31/09/1072343109.db2.gz YFSNDFFXYCBZJI-UKWGHVSLSA-N 0 0 615.836 8.228 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105774 1072347178 /nfs/dbraw/zinc/34/71/78/1072347178.db2.gz ONZBCYIPSFDYIX-NTNOMAAHSA-N 0 0 622.766 5.812 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409334396 1072347500 /nfs/dbraw/zinc/34/75/00/1072347500.db2.gz XIPREAGGGWLNIM-WPWMEQJKSA-N 0 0 556.665 6.280 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409334121 1072347600 /nfs/dbraw/zinc/34/76/00/1072347600.db2.gz UCEQNSYAQAARPW-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000409334093 1072349647 /nfs/dbraw/zinc/34/96/47/1072349647.db2.gz TWWQIBHSNONNAZ-NSIKDUERSA-N 0 0 597.212 5.449 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409333775 1072351570 /nfs/dbraw/zinc/35/15/70/1072351570.db2.gz VTVFINQVTPINPA-FBHDLOMBSA-N 0 0 646.330 7.731 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1Cl ZINC000409333528 1072352106 /nfs/dbraw/zinc/35/21/06/1072352106.db2.gz SOXYVLFUITWVCV-MSXFZWOLSA-N 0 0 525.482 7.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409333399 1072353463 /nfs/dbraw/zinc/35/34/63/1072353463.db2.gz SFUQBLCOICYFLU-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409333257 1072354542 /nfs/dbraw/zinc/35/45/42/1072354542.db2.gz RNKXFFHGAHNCNF-HMAPJEAMSA-N 0 0 607.922 7.328 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c1 ZINC000409102453 1072365984 /nfs/dbraw/zinc/36/59/84/1072365984.db2.gz ZUWGAHUBUPYDNQ-UDWIEESQSA-N 0 0 513.959 6.045 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409103652 1072359641 /nfs/dbraw/zinc/35/96/41/1072359641.db2.gz DSTMCIAJACGDDP-ZNRKBWGRSA-N 0 0 587.189 5.781 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21)N1CCOCC1 ZINC000409103316 1072361018 /nfs/dbraw/zinc/36/10/18/1072361018.db2.gz YAANDXXXLKXRTN-WPWMEQJKSA-N 0 0 600.697 5.297 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409332461 1072361165 /nfs/dbraw/zinc/36/11/65/1072361165.db2.gz QTFTVYZUNXFTOJ-FMCGGJTJSA-N 0 0 656.394 8.290 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 ZINC000409103261 1072362424 /nfs/dbraw/zinc/36/24/24/1072362424.db2.gz VPRMRRDWPFGIRV-MFKUBSTISA-N 0 0 503.624 5.785 40 10 KKCBRN O=C(COc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O)N1CCOCC1 ZINC000409102874 1072363237 /nfs/dbraw/zinc/36/32/37/1072363237.db2.gz FNGGNFOPEPKCON-PCLIKHOPSA-N 0 0 612.104 5.375 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409332054 1072365935 /nfs/dbraw/zinc/36/59/35/1072365935.db2.gz PGDDYNGABUEMGF-ZMOGYAJESA-N 0 0 557.049 6.640 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409331837 1072366516 /nfs/dbraw/zinc/36/65/16/1072366516.db2.gz OKVPLCHQXSRTOI-MTJSOVHGSA-N 0 0 512.996 6.242 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409331656 1072367471 /nfs/dbraw/zinc/36/74/71/1072367471.db2.gz OTVHAOMTJPMDRY-UUYOSTAYSA-N 0 0 628.919 8.505 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1Cl ZINC000409331504 1072368476 /nfs/dbraw/zinc/36/84/76/1072368476.db2.gz OIXNHYFAHLBVOF-UUYOSTAYSA-N 0 0 546.895 7.096 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409331532 1072368788 /nfs/dbraw/zinc/36/87/88/1072368788.db2.gz NPGMTDJGLQBODJ-CFRMEGHHSA-N 0 0 628.526 6.406 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409331456 1072370299 /nfs/dbraw/zinc/37/02/99/1072370299.db2.gz NZPQNEMHIISOIX-YDZHTSKRSA-N 0 0 535.603 5.335 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)c1 ZINC000409331478 1072370365 /nfs/dbraw/zinc/37/03/65/1072370365.db2.gz OEPPGBGGJUCLNQ-WSDLNYQXSA-N 0 0 562.963 7.809 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409331276 1072371192 /nfs/dbraw/zinc/37/11/92/1072371192.db2.gz NOFHFRUZZDRAHV-UCQKPKSFSA-N 0 0 530.498 7.685 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 ZINC000409330772 1072374254 /nfs/dbraw/zinc/37/42/54/1072374254.db2.gz LYCZLJSQCLLATC-OEAKJJBVSA-N 0 0 507.589 6.038 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409330876 1072374595 /nfs/dbraw/zinc/37/45/95/1072374595.db2.gz NIXIJWNMRGRLCA-XKZIYDEJSA-N 0 0 621.937 6.766 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409330617 1072374984 /nfs/dbraw/zinc/37/49/84/1072374984.db2.gz LBVYEROTQAVXRI-VCHYOVAHSA-N 0 0 547.323 7.349 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409330715 1072375490 /nfs/dbraw/zinc/37/54/90/1072375490.db2.gz LLHAZUIPIUWZHH-BKUYFWCQSA-N 0 0 527.465 5.833 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c1 ZINC000409116084 1072375723 /nfs/dbraw/zinc/37/57/23/1072375723.db2.gz LOIDMEOZAKXRAD-JVWAILMASA-N 0 0 609.531 8.370 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409330739 1072375773 /nfs/dbraw/zinc/37/57/73/1072375773.db2.gz LTHZRZNGFQBNKS-BHGWPJFGSA-N 0 0 696.870 7.914 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409330233 1072378667 /nfs/dbraw/zinc/37/86/67/1072378667.db2.gz KAWDGMOKCOSBSC-YDZHTSKRSA-N 0 0 562.565 8.099 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409330301 1072379113 /nfs/dbraw/zinc/37/91/13/1072379113.db2.gz KUKFWNQLXUTIME-GRSHGNNSSA-N 0 0 524.834 7.099 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409330023 1072379481 /nfs/dbraw/zinc/37/94/81/1072379481.db2.gz JAHDLWHZTYSSQE-MYYYXRDXSA-N 0 0 568.721 5.992 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc2ccccc21 ZINC000409330156 1072380514 /nfs/dbraw/zinc/38/05/14/1072380514.db2.gz JQCWVRRJAXHHDM-VUTHCHCSSA-N 0 0 503.648 7.978 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409329918 1072381083 /nfs/dbraw/zinc/38/10/83/1072381083.db2.gz HZUMCEXJHPHXHL-OEAKJJBVSA-N 0 0 551.602 5.035 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409329665 1072383461 /nfs/dbraw/zinc/38/34/61/1072383461.db2.gz GUMLIPLMEFHSAI-QQXSKIMKSA-N 0 0 519.091 7.456 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409329639 1072383465 /nfs/dbraw/zinc/38/34/65/1072383465.db2.gz GUYMRLHORNLOIV-LPYMAVHISA-N 0 0 516.471 7.377 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409329716 1072383837 /nfs/dbraw/zinc/38/38/37/1072383837.db2.gz HQPKYOYOGUJUKD-LPYMAVHISA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409329727 1072383912 /nfs/dbraw/zinc/38/39/12/1072383912.db2.gz HMHZLVHAWVZAOS-QRVIBDJDSA-N 0 0 535.603 5.335 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409329512 1072384328 /nfs/dbraw/zinc/38/43/28/1072384328.db2.gz DXXDMBUIRVBOLX-CAOOACKPSA-N 0 0 532.854 6.003 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)cc1Cl ZINC000409329321 1072385290 /nfs/dbraw/zinc/38/52/90/1072385290.db2.gz DQAABLYUHXHLHF-SSDVNMTOSA-N 0 0 536.889 7.640 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409329388 1072385703 /nfs/dbraw/zinc/38/57/03/1072385703.db2.gz FOCOWZNDENQXHD-ZVHZXABRSA-N 0 0 589.617 7.276 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409329421 1072386153 /nfs/dbraw/zinc/38/61/53/1072386153.db2.gz FSVDNXJMBAEACT-YBFXNURJSA-N 0 0 517.991 5.875 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409329213 1072386665 /nfs/dbraw/zinc/38/66/65/1072386665.db2.gz CDZIGOASMSMCAP-PCLIKHOPSA-N 0 0 525.095 6.790 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409329243 1072387121 /nfs/dbraw/zinc/38/71/21/1072387121.db2.gz CQUIFUFTJCKNSH-WYMPLXKRSA-N 0 0 519.648 5.543 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409329265 1072387144 /nfs/dbraw/zinc/38/71/44/1072387144.db2.gz DADZWZYADJRVNQ-WSDLNYQXSA-N 0 0 674.263 8.902 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000409329022 1072387598 /nfs/dbraw/zinc/38/75/98/1072387598.db2.gz CGTXLQBCFDBEFP-QRVIBDJDSA-N 0 0 551.602 5.035 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409329023 1072387636 /nfs/dbraw/zinc/38/76/36/1072387636.db2.gz CGVQRKJWIWGEIB-CXUHLZMHSA-N 0 0 543.258 5.169 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409329078 1072388030 /nfs/dbraw/zinc/38/80/30/1072388030.db2.gz CKSGPKAOZKLZEJ-HZHRSRAPSA-N 0 0 512.052 6.732 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409328930 1072388868 /nfs/dbraw/zinc/38/88/68/1072388868.db2.gz AQDJWGOSBHXOIC-SXGWCWSVSA-N 0 0 515.369 5.243 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409328918 1072388934 /nfs/dbraw/zinc/38/89/34/1072388934.db2.gz AJHLMTXXAFYTNU-HZHRSRAPSA-N 0 0 556.503 6.841 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409328951 1072389078 /nfs/dbraw/zinc/38/90/78/1072389078.db2.gz AYLPDSHENKKUBR-XKZIYDEJSA-N 0 0 530.896 7.083 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409328994 1072389407 /nfs/dbraw/zinc/38/94/07/1072389407.db2.gz BWTTYJFERWTFLD-SSDVNMTOSA-N 0 0 628.340 7.591 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)c(C)c1 ZINC000409328790 1072390325 /nfs/dbraw/zinc/39/03/25/1072390325.db2.gz AUPHDDDJEYEXRH-QFEZKATASA-N 0 0 581.557 7.106 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409328798 1072390483 /nfs/dbraw/zinc/39/04/83/1072390483.db2.gz AWLLFLLAWHRTIK-PCLIKHOPSA-N 0 0 525.095 6.790 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc(Cl)c1 ZINC000409328589 1072390925 /nfs/dbraw/zinc/39/09/25/1072390925.db2.gz YCAONIWDZSCFAD-JAIQZWGSSA-N 0 0 528.417 7.274 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409328644 1072391283 /nfs/dbraw/zinc/39/12/83/1072391283.db2.gz ZIQGWWCRXHJXCT-BKUYFWCQSA-N 0 0 527.421 6.342 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000409328477 1072392224 /nfs/dbraw/zinc/39/22/24/1072392224.db2.gz VZHFRCDBNCMSKM-FRKPEAEDSA-N 0 0 537.273 6.648 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328478 1072392316 /nfs/dbraw/zinc/39/23/16/1072392316.db2.gz VZHUICOGDICCBR-JJFYIABZSA-N 0 0 687.364 7.890 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409328533 1072392792 /nfs/dbraw/zinc/39/27/92/1072392792.db2.gz XDPOWYXSJRBTMU-CAOOACKPSA-N 0 0 532.854 6.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409328238 1072395177 /nfs/dbraw/zinc/39/51/77/1072395177.db2.gz QKEZSVRRMORTNC-QQXSKIMKSA-N 0 0 621.534 7.894 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409327989 1072395550 /nfs/dbraw/zinc/39/55/50/1072395550.db2.gz OTZWPOVIWXGIKW-UFFVCSGVSA-N 0 0 557.447 5.566 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409327788 1072398709 /nfs/dbraw/zinc/39/87/09/1072398709.db2.gz MZRZOBJKXCYUGA-YDZHTSKRSA-N 0 0 603.947 6.925 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409327549 1072399172 /nfs/dbraw/zinc/39/91/72/1072399172.db2.gz KSNANRYBCGCNOC-BRJLIKDPSA-N 0 0 507.746 7.291 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409327414 1072400755 /nfs/dbraw/zinc/40/07/55/1072400755.db2.gz JUAWWDDRSDJECL-YDZHTSKRSA-N 0 0 515.487 7.044 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409327393 1072402926 /nfs/dbraw/zinc/40/29/26/1072402926.db2.gz JKAGFJHIMNMHMX-NHDPSOOVSA-N 0 0 557.362 7.869 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S ZINC000409347305 1072408629 /nfs/dbraw/zinc/40/86/29/1072408629.db2.gz PCQRDGGFKFXVCN-CIAFOILYSA-N 0 0 523.998 6.629 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1C ZINC000409107967 1072410016 /nfs/dbraw/zinc/41/00/16/1072410016.db2.gz UMENCZUOTXXPFS-BUVRLJJBSA-N 0 0 501.608 6.284 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)o2)ccc1Cl ZINC000409347008 1072410741 /nfs/dbraw/zinc/41/07/41/1072410741.db2.gz PIKFJSRZCYRCGJ-UCQKPKSFSA-N 0 0 506.004 6.946 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409346884 1072411759 /nfs/dbraw/zinc/41/17/59/1072411759.db2.gz OVEZCHFOYWITFO-CIAFOILYSA-N 0 0 671.365 6.732 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000409346876 1072411782 /nfs/dbraw/zinc/41/17/82/1072411782.db2.gz OPXSCUSDEMGWJA-BKUYFWCQSA-N 0 0 515.037 6.814 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409346850 1072411794 /nfs/dbraw/zinc/41/17/94/1072411794.db2.gz LOSYQELGDKTOIP-CIAFOILYSA-N 0 0 591.858 6.027 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409346936 1072412421 /nfs/dbraw/zinc/41/24/21/1072412421.db2.gz OVNROJPPUZIHTQ-UUYOSTAYSA-N 0 0 502.444 6.987 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107603 1072413322 /nfs/dbraw/zinc/41/33/22/1072413322.db2.gz WYOTWDWQEHBIER-FUZBLHKMSA-N 0 0 647.845 5.739 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 ZINC000409346769 1072413473 /nfs/dbraw/zinc/41/34/73/1072413473.db2.gz LHHYQSNIIGTQNH-BKUYFWCQSA-N 0 0 522.917 7.215 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409346807 1072413861 /nfs/dbraw/zinc/41/38/61/1072413861.db2.gz OICFNQFXDWGQBK-MTDXEUNCSA-N 0 0 570.692 6.372 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346093 1072417470 /nfs/dbraw/zinc/41/74/70/1072417470.db2.gz NHJXKHQCTKWKLM-OEAKJJBVSA-N 0 0 570.048 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409346192 1072418088 /nfs/dbraw/zinc/41/80/88/1072418088.db2.gz NMQBLFOMXLLNQE-AFPJDJCSSA-N 0 0 658.810 7.841 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1 ZINC000409346220 1072418619 /nfs/dbraw/zinc/41/86/19/1072418619.db2.gz NRZNXBUAOUFRMP-JJIBRWJFSA-N 0 0 506.649 6.375 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346201 1072418626 /nfs/dbraw/zinc/41/86/26/1072418626.db2.gz MXTWNTAXQQBHLQ-WQRHYEAKSA-N 0 0 523.430 5.556 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409346013 1072419031 /nfs/dbraw/zinc/41/90/31/1072419031.db2.gz MISBXDAUHLFZJX-SRZZPIQSSA-N 0 0 595.418 7.883 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409345808 1072420106 /nfs/dbraw/zinc/42/01/06/1072420106.db2.gz MEIOSDSBIFGLPU-UUYOSTAYSA-N 0 0 503.979 6.612 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409345837 1072420111 /nfs/dbraw/zinc/42/01/11/1072420111.db2.gz LOYDFGWMMJOQEV-XKZIYDEJSA-N 0 0 605.373 7.513 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409345836 1072420172 /nfs/dbraw/zinc/42/01/72/1072420172.db2.gz MJFSZHJCGDVAJW-MTJSOVHGSA-N 0 0 575.437 6.490 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409122827 1072420581 /nfs/dbraw/zinc/42/05/81/1072420581.db2.gz CDNBJLYTYLQHGG-QFEZKATASA-N 0 0 533.679 5.789 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409345915 1072421178 /nfs/dbraw/zinc/42/11/78/1072421178.db2.gz MSSIOOFXPOAWTL-PXNMLYILSA-N 0 0 566.269 6.411 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409345745 1072422254 /nfs/dbraw/zinc/42/22/54/1072422254.db2.gz JLVLVSRQMOQKAK-OYKKKHCWSA-N 0 0 506.605 6.205 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409345735 1072422272 /nfs/dbraw/zinc/42/22/72/1072422272.db2.gz JHMNDULPKQCXPB-ZMOGYAJESA-N 0 0 530.042 6.871 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409345633 1072423671 /nfs/dbraw/zinc/42/36/71/1072423671.db2.gz ILXOZPDDXCSRFG-WGOQTCKBSA-N 0 0 532.687 6.550 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1Cl ZINC000409345253 1072425241 /nfs/dbraw/zinc/42/52/41/1072425241.db2.gz KUTMBVZGKSGAHB-JJFYIABZSA-N 0 0 577.061 5.739 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409345287 1072425871 /nfs/dbraw/zinc/42/58/71/1072425871.db2.gz KZYDSORBOYSMQY-BHGWPJFGSA-N 0 0 523.651 6.362 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)c1 ZINC000409345100 1072426959 /nfs/dbraw/zinc/42/69/59/1072426959.db2.gz JSSITNYFAHAUEH-NTFVMDSBSA-N 0 0 522.720 7.971 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc2ccccc21 ZINC000409344655 1072430150 /nfs/dbraw/zinc/43/01/50/1072430150.db2.gz HXVXBUFAFYAYCV-OYKKKHCWSA-N 0 0 552.555 7.965 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409120354 1072431906 /nfs/dbraw/zinc/43/19/06/1072431906.db2.gz VFHRQLBLRCIASQ-WWWKDLBZSA-N 0 0 602.204 5.231 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409344378 1072432370 /nfs/dbraw/zinc/43/23/70/1072432370.db2.gz JAQIVGDXYFELJX-UUYOSTAYSA-N 0 0 595.367 8.139 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409344439 1072432873 /nfs/dbraw/zinc/43/28/73/1072432873.db2.gz JFWAZTPKPJWUCG-ONUIUJJFSA-N 0 0 504.677 6.445 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344243 1072433900 /nfs/dbraw/zinc/43/39/00/1072433900.db2.gz IEEWFQSZXSTYLT-YDZHTSKRSA-N 0 0 556.643 5.081 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409344315 1072434558 /nfs/dbraw/zinc/43/45/58/1072434558.db2.gz IOQQJYFIMVIYCM-CAOOACKPSA-N 0 0 577.305 6.112 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409343809 1072437358 /nfs/dbraw/zinc/43/73/58/1072437358.db2.gz GQZIROOPIVHBBJ-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409343600 1072438364 /nfs/dbraw/zinc/43/83/64/1072438364.db2.gz FATDFSYIJFBQCJ-MYYYXRDXSA-N 0 0 580.500 7.735 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409343678 1072439134 /nfs/dbraw/zinc/43/91/34/1072439134.db2.gz FTUCUZHVPCRNHS-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)cc1 ZINC000409343665 1072439162 /nfs/dbraw/zinc/43/91/62/1072439162.db2.gz DZVSOHXCBJBAGJ-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1 ZINC000409343714 1072439561 /nfs/dbraw/zinc/43/95/61/1072439561.db2.gz IQLOTHFTIUQLQR-QVIHXGFCSA-N 0 0 500.628 6.664 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409343318 1072440783 /nfs/dbraw/zinc/44/07/83/1072440783.db2.gz GOKKDGKZOGNIRU-UUYOSTAYSA-N 0 0 628.919 8.505 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409343062 1072443822 /nfs/dbraw/zinc/44/38/22/1072443822.db2.gz CJYRVJXKWBOUTN-GRSHGNNSSA-N 0 0 507.376 6.576 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409342771 1072446074 /nfs/dbraw/zinc/44/60/74/1072446074.db2.gz FHVACWAUIAYQTO-NTFVMDSBSA-N 0 0 633.589 7.651 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409342823 1072446466 /nfs/dbraw/zinc/44/64/66/1072446466.db2.gz FMULIKLWFNSQNM-XKZIYDEJSA-N 0 0 546.895 7.096 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409342693 1072448016 /nfs/dbraw/zinc/44/80/16/1072448016.db2.gz FCSWHYQEAPEWHH-UKWGHVSLSA-N 0 0 724.210 8.187 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S1)c1ccccc1 ZINC000409127197 1072448187 /nfs/dbraw/zinc/44/81/87/1072448187.db2.gz COWZDKDAFNDFHT-NDENLUEZSA-N 0 0 517.821 6.626 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409126956 1072448201 /nfs/dbraw/zinc/44/82/01/1072448201.db2.gz CLMDVKNSTYCKMZ-MTDXEUNCSA-N 0 0 500.664 7.290 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409342487 1072448685 /nfs/dbraw/zinc/44/86/85/1072448685.db2.gz DLYPOYXWEVLQIQ-CHHVJCJISA-N 0 0 638.246 5.609 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409342497 1072448711 /nfs/dbraw/zinc/44/87/11/1072448711.db2.gz FKTDXOPHDCJJBS-JJFYIABZSA-N 0 0 607.910 6.674 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccccc1 ZINC000409342288 1072449150 /nfs/dbraw/zinc/44/91/50/1072449150.db2.gz DCPXFFVJMIBEKU-UDWIEESQSA-N 0 0 655.320 6.881 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409342378 1072449870 /nfs/dbraw/zinc/44/98/70/1072449870.db2.gz BZMWISXDPXDDLF-LPYMAVHISA-N 0 0 556.021 5.382 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409342191 1072450298 /nfs/dbraw/zinc/45/02/98/1072450298.db2.gz CQVYYILOHPVMKD-QRVIBDJDSA-N 0 0 550.459 6.766 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)c(C)c1 ZINC000409342189 1072450367 /nfs/dbraw/zinc/45/03/67/1072450367.db2.gz CQNODSVENCQCFU-JJFYIABZSA-N 0 0 609.445 8.191 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000409341999 1072451512 /nfs/dbraw/zinc/45/15/12/1072451512.db2.gz DGOCVBYOTBBYII-VULFUBBASA-N 0 0 548.730 6.108 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)c1 ZINC000409342281 1072451583 /nfs/dbraw/zinc/45/15/83/1072451583.db2.gz DBZQBIRYLGKCDM-OEAKJJBVSA-N 0 0 506.674 6.140 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1C ZINC000409342051 1072452037 /nfs/dbraw/zinc/45/20/37/1072452037.db2.gz DAIVGALOPFUGLF-QRVIBDJDSA-N 0 0 587.948 7.143 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1 ZINC000409342046 1072452048 /nfs/dbraw/zinc/45/20/48/1072452048.db2.gz BFHWAANFHLXWHH-WPWMEQJKSA-N 0 0 531.102 7.544 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409341910 1072453929 /nfs/dbraw/zinc/45/39/29/1072453929.db2.gz AMAAOKRBLFKVKO-FBHDLOMBSA-N 0 0 541.308 8.285 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409341734 1072455015 /nfs/dbraw/zinc/45/50/15/1072455015.db2.gz BRJITYMEYTUFHL-GZIVZEMBSA-N 0 0 625.349 7.478 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409341336 1072459086 /nfs/dbraw/zinc/45/90/86/1072459086.db2.gz AACVPPDOHOQDAH-DHRITJCHSA-N 0 0 629.623 7.220 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409341403 1072459809 /nfs/dbraw/zinc/45/98/09/1072459809.db2.gz BKVSSDATHHYYFH-FMCGGJTJSA-N 0 0 619.946 6.543 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409341406 1072459932 /nfs/dbraw/zinc/45/99/32/1072459932.db2.gz AKTFQUAXWDRMEQ-XKZIYDEJSA-N 0 0 625.912 7.467 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409125423 1072460792 /nfs/dbraw/zinc/46/07/92/1072460792.db2.gz FJLPEDUVYLLJIE-FMCGGJTJSA-N 0 0 570.534 5.436 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409125266 1072461906 /nfs/dbraw/zinc/46/19/06/1072461906.db2.gz MYOHXYPEYPJIBE-JLPGSUDCSA-N 0 0 509.027 6.945 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccc(Br)cc23)SC1=S ZINC000409124906 1072462930 /nfs/dbraw/zinc/46/29/30/1072462930.db2.gz BVTFALZXVFGUEF-JMIUGGIZSA-N 0 0 520.518 5.274 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409125003 1072463944 /nfs/dbraw/zinc/46/39/44/1072463944.db2.gz MAJGTVBEPDGFLP-JAIQZWGSSA-N 0 0 521.889 6.357 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409124679 1072465374 /nfs/dbraw/zinc/46/53/74/1072465374.db2.gz LHOKNKDEGDEUCR-OYKKKHCWSA-N 0 0 539.013 5.733 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409124494 1072465926 /nfs/dbraw/zinc/46/59/26/1072465926.db2.gz ANPQOWZZYAKDGA-UUYOSTAYSA-N 0 0 606.325 7.134 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 ZINC000409340482 1072466930 /nfs/dbraw/zinc/46/69/30/1072466930.db2.gz XWPNTIKVBAMEQE-LPYMAVHISA-N 0 0 523.548 6.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409340533 1072467326 /nfs/dbraw/zinc/46/73/26/1072467326.db2.gz YSTFMKZTGVSPNH-YVNNLAQVSA-N 0 0 607.910 6.674 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409340276 1072467360 /nfs/dbraw/zinc/46/73/60/1072467360.db2.gz TYZIXAHWFADMNO-SXGWCWSVSA-N 0 0 607.276 6.009 40 10 KKCBRN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1 ZINC000409340359 1072468122 /nfs/dbraw/zinc/46/81/22/1072468122.db2.gz VTUFPSIJGOCJJL-WSDLNYQXSA-N 0 0 530.896 7.396 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)OC ZINC000409340138 1072468513 /nfs/dbraw/zinc/46/85/13/1072468513.db2.gz QZYXWGAVBRSPOE-WQRHYEAKSA-N 0 0 522.442 5.114 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409340134 1072468603 /nfs/dbraw/zinc/46/86/03/1072468603.db2.gz QYNDNCDXMSYMIM-FSJBWODESA-N 0 0 575.495 6.434 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3)SC2=S)cc1Cl ZINC000409340236 1072469618 /nfs/dbraw/zinc/46/96/18/1072469618.db2.gz SPIDHGKGRAEVRH-WSDLNYQXSA-N 0 0 532.470 6.995 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409340219 1072469646 /nfs/dbraw/zinc/46/96/46/1072469646.db2.gz SKOXACOMYQBIHL-LSHDLFTRSA-N 0 0 613.357 8.279 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O ZINC000409340036 1072470663 /nfs/dbraw/zinc/47/06/63/1072470663.db2.gz PBYUTVKEIRQVDV-VULFUBBASA-N 0 0 505.705 6.968 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339868 1072471788 /nfs/dbraw/zinc/47/17/88/1072471788.db2.gz MAKAAMODENYZPY-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409127331 1072472538 /nfs/dbraw/zinc/47/25/38/1072472538.db2.gz HHCGTQDDOFDULA-HAHDFKILSA-N 0 0 502.437 6.272 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409137262 1072473660 /nfs/dbraw/zinc/47/36/60/1072473660.db2.gz WGGQANJOKCIREJ-RRAHZORUSA-N 0 0 528.699 6.563 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)c1 ZINC000409339770 1072473653 /nfs/dbraw/zinc/47/36/53/1072473653.db2.gz YBSFNVYFFGDUCF-MTJSOVHGSA-N 0 0 507.999 6.929 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339533 1072474219 /nfs/dbraw/zinc/47/42/19/1072474219.db2.gz JUCVWGZGTZTMDS-QFEZKATASA-N 0 0 559.581 6.863 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409339587 1072474719 /nfs/dbraw/zinc/47/47/19/1072474719.db2.gz WOXVURHLYNFRCK-QQXSKIMKSA-N 0 0 567.132 7.285 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409136914 1072474767 /nfs/dbraw/zinc/47/47/67/1072474767.db2.gz ZAKFXSLWICOJFX-OYKKKHCWSA-N 0 0 572.912 6.588 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409339387 1072475302 /nfs/dbraw/zinc/47/53/02/1072475302.db2.gz UTXSCPBUOBSOFK-GATIEOLUSA-N 0 0 544.569 8.266 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409339428 1072475861 /nfs/dbraw/zinc/47/58/61/1072475861.db2.gz VLYPYQSSFUJYOL-JJFYIABZSA-N 0 0 536.889 7.640 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409339511 1072476321 /nfs/dbraw/zinc/47/63/21/1072476321.db2.gz JHWZXTYBSRTXMI-LGJNPRDNSA-N 0 0 627.144 6.526 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409339484 1072476379 /nfs/dbraw/zinc/47/63/79/1072476379.db2.gz IWQBUKXUHCCTHF-YBEGLDIGSA-N 0 0 607.276 5.696 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409339278 1072477128 /nfs/dbraw/zinc/47/71/28/1072477128.db2.gz GRIDBNJHBUFOSM-JVWAILMASA-N 0 0 605.742 5.930 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409339094 1072478074 /nfs/dbraw/zinc/47/80/74/1072478074.db2.gz RTJWYQPQZZDPJH-YVNNLAQVSA-N 0 0 544.423 6.302 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409339113 1072478587 /nfs/dbraw/zinc/47/85/87/1072478587.db2.gz RYFWBAICSABELC-VYYCAZPPSA-N 0 0 503.733 7.576 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)c1 ZINC000409339146 1072478647 /nfs/dbraw/zinc/47/86/47/1072478647.db2.gz SFGIVYOQTRUPQF-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409136208 1072479770 /nfs/dbraw/zinc/47/97/70/1072479770.db2.gz XTNBQMUEVKWBJR-QRVIBDJDSA-N 0 0 505.462 6.858 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338986 1072479796 /nfs/dbraw/zinc/47/97/96/1072479796.db2.gz CWNYWZKILVNZQQ-XKZIYDEJSA-N 0 0 560.922 7.486 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339035 1072480242 /nfs/dbraw/zinc/48/02/42/1072480242.db2.gz DNDXRPQGDXNWHL-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409136257 1072480287 /nfs/dbraw/zinc/48/02/87/1072480287.db2.gz YEHORFAGMIKAHR-OYKKKHCWSA-N 0 0 507.055 7.450 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339015 1072480338 /nfs/dbraw/zinc/48/03/38/1072480338.db2.gz DFDPSDWHHNHWFA-WSDLNYQXSA-N 0 0 589.464 6.880 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409135999 1072480823 /nfs/dbraw/zinc/48/08/23/1072480823.db2.gz VROOMIPODXZPFW-MYYYXRDXSA-N 0 0 530.491 6.889 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409338842 1072481411 /nfs/dbraw/zinc/48/14/11/1072481411.db2.gz PHJCURLQRPSHKB-FOKLQQMPSA-N 0 0 636.014 7.256 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409338869 1072481436 /nfs/dbraw/zinc/48/14/36/1072481436.db2.gz PVZYCITZRPGWSK-JFLMPSFJSA-N 0 0 610.982 8.639 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc(OC)cc5)cc4)c3C)N(C)C2=S)cc1 ZINC000409135938 1072482657 /nfs/dbraw/zinc/48/26/57/1072482657.db2.gz WRUJIAKUPZZFFQ-COEJQBHMSA-N 0 0 553.684 6.898 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409338715 1072483013 /nfs/dbraw/zinc/48/30/13/1072483013.db2.gz OWGUVNZDHGZWII-FSJBWODESA-N 0 0 543.022 6.250 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\NC(=S)N(c5ccc(C)c(C)c5)C4=O)c3C)cc2)cc1 ZINC000409135565 1072483824 /nfs/dbraw/zinc/48/38/24/1072483824.db2.gz QJCWUOYTAAWIGJ-MIXAMLLLSA-N 0 0 523.658 6.774 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338547 1072484067 /nfs/dbraw/zinc/48/40/67/1072484067.db2.gz LVIDZTRVXBUUCU-RGVLZGJSSA-N 0 0 588.417 6.472 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1 ZINC000409338365 1072484766 /nfs/dbraw/zinc/48/47/66/1072484766.db2.gz IQMKLJPPTYWYHL-XYGWBWBKSA-N 0 0 518.660 6.242 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000409338350 1072484776 /nfs/dbraw/zinc/48/47/76/1072484776.db2.gz IGDAJYRBEJZREN-IDUWFGFVSA-N 0 0 512.392 5.070 40 10 KKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000409338616 1072484804 /nfs/dbraw/zinc/48/48/04/1072484804.db2.gz NASVNGDHXFXFDC-RQZCQDPDSA-N 0 0 503.270 6.951 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338413 1072485389 /nfs/dbraw/zinc/48/53/89/1072485389.db2.gz JMFVEVSRGMFUNS-FOKLQQMPSA-N 0 0 611.019 7.872 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409338452 1072486080 /nfs/dbraw/zinc/48/60/80/1072486080.db2.gz KFHBSCBMPDSTSD-MFOYZWKCSA-N 0 0 621.303 6.317 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000409135113 1072486082 /nfs/dbraw/zinc/48/60/82/1072486082.db2.gz PXBZGOJTIOVKLC-QQXSKIMKSA-N 0 0 518.660 6.502 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338443 1072486139 /nfs/dbraw/zinc/48/61/39/1072486139.db2.gz KAORDANIXKTZDG-MFKUBSTISA-N 0 0 520.632 6.595 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409338475 1072486162 /nfs/dbraw/zinc/48/61/62/1072486162.db2.gz KPSMVODZAKQFFZ-UUYOSTAYSA-N 0 0 595.367 8.139 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409338283 1072487155 /nfs/dbraw/zinc/48/71/55/1072487155.db2.gz HGKLCVARZZQIPJ-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1Cl ZINC000409338296 1072487743 /nfs/dbraw/zinc/48/77/43/1072487743.db2.gz HLALTCSNQZCQQM-LSHDLFTRSA-N 0 0 536.889 7.640 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409338316 1072487772 /nfs/dbraw/zinc/48/77/72/1072487772.db2.gz HQWRMWHCRKQNDE-CIAFOILYSA-N 0 0 552.482 6.176 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(OCc2ccccc2)c1 ZINC000409338119 1072488190 /nfs/dbraw/zinc/48/81/90/1072488190.db2.gz DINNAQBUXGYZNG-WGOQTCKBSA-N 0 0 594.531 6.549 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409134992 1072488229 /nfs/dbraw/zinc/48/82/29/1072488229.db2.gz PHLFFHVUXQIPQM-DICXZTSXSA-N 0 0 544.633 5.830 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409338073 1072488250 /nfs/dbraw/zinc/48/82/50/1072488250.db2.gz CMPCPPZDZVUYFG-OEAKJJBVSA-N 0 0 558.494 7.280 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338112 1072488318 /nfs/dbraw/zinc/48/83/18/1072488318.db2.gz DFHIFRHQOYBEPP-NUGSKGIGSA-N 0 0 601.456 6.079 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)SC2=S)cc1 ZINC000409135107 1072488913 /nfs/dbraw/zinc/48/89/13/1072488913.db2.gz ULFWVTUWNLQTSL-VEILYXNESA-N 0 0 516.732 7.552 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC ZINC000409338135 1072488861 /nfs/dbraw/zinc/48/88/61/1072488861.db2.gz DQSFTDOYSRCADV-YBEGLDIGSA-N 0 0 542.376 5.013 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409338182 1072488907 /nfs/dbraw/zinc/48/89/07/1072488907.db2.gz FKVLFYLLIOUWPP-UYRXBGFRSA-N 0 0 555.459 5.893 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409337946 1072489341 /nfs/dbraw/zinc/48/93/41/1072489341.db2.gz ADAIZKSMQYYXNY-YDZHTSKRSA-N 0 0 596.599 5.249 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409337965 1072489374 /nfs/dbraw/zinc/48/93/74/1072489374.db2.gz AJAXDMCKZSTOAC-CFRMEGHHSA-N 0 0 568.507 6.551 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)cc2)c1 ZINC000409337962 1072489418 /nfs/dbraw/zinc/48/94/18/1072489418.db2.gz AHRIAEKNTMKBDG-ONUIUJJFSA-N 0 0 510.640 6.572 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409134935 1072489415 /nfs/dbraw/zinc/48/94/15/1072489415.db2.gz OQOWWTUVTPYEFX-QFEZKATASA-N 0 0 551.506 7.035 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccccc1F ZINC000409338051 1072490388 /nfs/dbraw/zinc/49/03/88/1072490388.db2.gz CBHXYTRBGOBRKN-NDENLUEZSA-N 0 0 673.310 7.020 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409338017 1072490407 /nfs/dbraw/zinc/49/04/07/1072490407.db2.gz BLTMYFWCUDSYSQ-SSDVNMTOSA-N 0 0 719.837 7.775 40 10 KKCBRN Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409134592 1072491026 /nfs/dbraw/zinc/49/10/26/1072491026.db2.gz WMAHHTSUTDYJPC-DIBXZPPDSA-N 0 0 504.721 7.200 40 10 KKCBRN O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409337367 1072495024 /nfs/dbraw/zinc/49/50/24/1072495024.db2.gz ZVBDHBLRZVZINB-UHFFFAOYSA-N 0 0 545.554 7.109 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409133857 1072495689 /nfs/dbraw/zinc/49/56/89/1072495689.db2.gz UNXJNKDHWJTJNB-QFEZKATASA-N 0 0 612.412 7.659 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccc(Br)cc23)SC1=S ZINC000409133679 1072496655 /nfs/dbraw/zinc/49/66/55/1072496655.db2.gz MGHWQJZETKDKNL-XKZIYDEJSA-N 0 0 531.497 5.639 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409133683 1072496691 /nfs/dbraw/zinc/49/66/91/1072496691.db2.gz NAQVXWMQXKNANY-QFEZKATASA-N 0 0 551.506 7.035 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409133578 1072498385 /nfs/dbraw/zinc/49/83/85/1072498385.db2.gz LNPQQMVBAYVYBG-JTOYMXJDSA-N 0 0 523.768 6.386 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409133292 1072500294 /nfs/dbraw/zinc/50/02/94/1072500294.db2.gz RZIKQDDRLPEMJL-MYYYXRDXSA-N 0 0 533.516 6.896 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409132626 1072504283 /nfs/dbraw/zinc/50/42/83/1072504283.db2.gz JOQLIUXQCFZEBF-JAIQZWGSSA-N 0 0 501.471 6.468 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409131662 1072508071 /nfs/dbraw/zinc/50/80/71/1072508071.db2.gz JOOFRZBHJUIVQD-BKUYFWCQSA-N 0 0 513.402 5.981 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)S1)c1ccccc1 ZINC000409130938 1072512461 /nfs/dbraw/zinc/51/24/61/1072512461.db2.gz OLDNUAVJIHORLB-MTJSOVHGSA-N 0 0 562.272 6.735 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409130947 1072512483 /nfs/dbraw/zinc/51/24/83/1072512483.db2.gz ONXKPXLZOFDSDP-UWVJOHFNSA-N 0 0 509.853 6.466 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409130090 1072516995 /nfs/dbraw/zinc/51/69/95/1072516995.db2.gz LUIIUKUSJZVNPX-QUPALOHBSA-N 0 0 587.517 5.592 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409129848 1072518668 /nfs/dbraw/zinc/51/86/68/1072518668.db2.gz VBWLVLPCVIKFNK-YSMPRRRNSA-N 0 0 533.118 7.315 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)S1)c1ccccc1 ZINC000409129580 1072518784 /nfs/dbraw/zinc/51/87/84/1072518784.db2.gz GRUJGCZUSRHAMD-NDENLUEZSA-N 0 0 711.275 5.783 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409353191 1072523904 /nfs/dbraw/zinc/52/39/04/1072523904.db2.gz YYAUPZXKGXBLNI-ZMFRSBBQSA-N 0 0 619.124 5.825 40 10 KKCBRN CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409128678 1072525192 /nfs/dbraw/zinc/52/51/92/1072525192.db2.gz GHUBDFDLVYHULG-JAIQZWGSSA-N 0 0 521.889 6.357 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000409352700 1072526038 /nfs/dbraw/zinc/52/60/38/1072526038.db2.gz YNOKWDCDMCDIBO-PDGQHHTCSA-N 0 0 557.329 6.805 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409352766 1072526444 /nfs/dbraw/zinc/52/64/44/1072526444.db2.gz YPRQFIBWSUUSSA-XDHOZWIPSA-N 0 0 510.509 5.105 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409352727 1072526545 /nfs/dbraw/zinc/52/65/45/1072526545.db2.gz YVVCPPNVPZUZSF-IWIPYMOSSA-N 0 0 536.631 5.136 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409352728 1072526590 /nfs/dbraw/zinc/52/65/90/1072526590.db2.gz YWKAGRLTJAJUMA-RGVLZGJSSA-N 0 0 504.511 6.896 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 ZINC000409352775 1072526959 /nfs/dbraw/zinc/52/69/59/1072526959.db2.gz ZEWPPKBHCSTIRQ-LPYMAVHISA-N 0 0 541.448 6.338 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409352784 1072527092 /nfs/dbraw/zinc/52/70/92/1072527092.db2.gz YUQRLIUPIOHBHO-KEBDBYFISA-N 0 0 660.287 8.337 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)c1 ZINC000409352630 1072527816 /nfs/dbraw/zinc/52/78/16/1072527816.db2.gz XYEDUIWIUSOWAT-CFRMEGHHSA-N 0 0 533.675 6.547 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409128063 1072528298 /nfs/dbraw/zinc/52/82/98/1072528298.db2.gz RKFGPKQNNNJSLM-MYYYXRDXSA-N 0 0 502.596 6.152 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCC ZINC000409352260 1072529093 /nfs/dbraw/zinc/52/90/93/1072529093.db2.gz WZKMOQFYZLXMJE-YVLHZVERSA-N 0 0 532.403 6.671 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409352264 1072529116 /nfs/dbraw/zinc/52/91/16/1072529116.db2.gz XLGVWNTVFOXUIB-NUGSKGIGSA-N 0 0 633.929 6.263 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409352133 1072529811 /nfs/dbraw/zinc/52/98/11/1072529811.db2.gz WKKFREURUFLOGY-MTJSOVHGSA-N 0 0 627.447 7.303 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)c(C)c1 ZINC000409352165 1072529828 /nfs/dbraw/zinc/52/98/28/1072529828.db2.gz WMTWYMLGYXDBRK-XKZIYDEJSA-N 0 0 683.374 7.497 40 10 KKCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409127556 1072530058 /nfs/dbraw/zinc/53/00/58/1072530058.db2.gz NXUXLMDODPQWOD-HZHRSRAPSA-N 0 0 509.609 5.836 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409352203 1072530421 /nfs/dbraw/zinc/53/04/21/1072530421.db2.gz WWWFHCOQRHQKKX-UDWIEESQSA-N 0 0 503.874 6.916 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409352044 1072531430 /nfs/dbraw/zinc/53/14/30/1072531430.db2.gz VVYNTZVNUDMABI-NVMNQCDNSA-N 0 0 511.795 7.221 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NC4CCCC4)c4ccccc34)SC2=S)cc1 ZINC000409144821 1072532029 /nfs/dbraw/zinc/53/20/29/1072532029.db2.gz GVZYYEPPGZGNSO-OYKKKHCWSA-N 0 0 505.665 5.110 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409144846 1072532465 /nfs/dbraw/zinc/53/24/65/1072532465.db2.gz LIGPZGGWKXPYQX-ZVHZXABRSA-N 0 0 573.523 6.826 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409351417 1072535802 /nfs/dbraw/zinc/53/58/02/1072535802.db2.gz UHJYUBWAEKIREY-MTJSOVHGSA-N 0 0 546.895 7.096 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409351384 1072535853 /nfs/dbraw/zinc/53/58/53/1072535853.db2.gz UDAJOSCPMPZQEZ-CPNJWEJPSA-N 0 0 508.459 6.051 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409351394 1072535888 /nfs/dbraw/zinc/53/58/88/1072535888.db2.gz SROKJRBXXJXYRP-MTJSOVHGSA-N 0 0 521.035 5.285 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409351220 1072536658 /nfs/dbraw/zinc/53/66/58/1072536658.db2.gz ZMDPEZMWDMGUSS-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409351321 1072537635 /nfs/dbraw/zinc/53/76/35/1072537635.db2.gz TWPJJEYUONMLCO-WGOQTCKBSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409351128 1072538539 /nfs/dbraw/zinc/53/85/39/1072538539.db2.gz ZQQSDQNOTQUBAZ-MFOYZWKCSA-N 0 0 546.386 5.816 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409143465 1072540328 /nfs/dbraw/zinc/54/03/28/1072540328.db2.gz NIOROKYBDNKJGP-HMAPJEAMSA-N 0 0 517.558 7.255 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1O ZINC000409143464 1072540469 /nfs/dbraw/zinc/54/04/69/1072540469.db2.gz FHYSILHEDCNGLF-CXUHLZMHSA-N 0 0 527.849 5.061 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409350839 1072540755 /nfs/dbraw/zinc/54/07/55/1072540755.db2.gz SJPQTKDGKLVYAG-SSDVNMTOSA-N 0 0 539.566 5.166 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409350851 1072540895 /nfs/dbraw/zinc/54/08/95/1072540895.db2.gz YUXUWPRXNSNYQR-LSHDLFTRSA-N 0 0 574.449 6.310 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409350497 1072542156 /nfs/dbraw/zinc/54/21/56/1072542156.db2.gz RQVBGQRQFPCMML-XKZIYDEJSA-N 0 0 550.916 8.030 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4cccc(F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409143198 1072542185 /nfs/dbraw/zinc/54/21/85/1072542185.db2.gz VWVIOTNINDLQJQ-HSZRJFAPSA-N 0 0 502.032 6.038 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409143260 1072542631 /nfs/dbraw/zinc/54/26/31/1072542631.db2.gz MJEIOZGZTNIHNG-IWIPYMOSSA-N 0 0 504.637 6.008 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1ccc(Br)cc1 ZINC000409350556 1072542684 /nfs/dbraw/zinc/54/26/84/1072542684.db2.gz YMDXCWYEMHIAHS-PCLIKHOPSA-N 0 0 532.484 7.587 40 10 KKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409143081 1072543609 /nfs/dbraw/zinc/54/36/09/1072543609.db2.gz UNPWONLXWKCPAY-KVVJNQNVSA-N 0 0 500.686 5.321 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409350428 1072544049 /nfs/dbraw/zinc/54/40/49/1072544049.db2.gz YDYXDMULDYOPMN-NHDPSOOVSA-N 0 0 548.430 6.721 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1 ZINC000409142732 1072545019 /nfs/dbraw/zinc/54/50/19/1072545019.db2.gz FTPBBVQTJLMMAS-WYMPLXKRSA-N 0 0 660.599 6.328 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)c1 ZINC000409142750 1072545290 /nfs/dbraw/zinc/54/52/90/1072545290.db2.gz FUPGVJVNBFPKCD-DHRITJCHSA-N 0 0 518.704 6.023 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)c(Br)c(C)c4)c3C)N(C)C2=S)cc1 ZINC000409142645 1072546805 /nfs/dbraw/zinc/54/68/05/1072546805.db2.gz LGAIGNLCOHDGIC-IWIPYMOSSA-N 0 0 538.511 6.477 40 10 KKCBRN O=C1[C@H](Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142650 1072546915 /nfs/dbraw/zinc/54/69/15/1072546915.db2.gz FEVXZABNCPHWNW-NRFANRHFSA-N 0 0 540.896 7.337 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409349808 1072547088 /nfs/dbraw/zinc/54/70/88/1072547088.db2.gz QXAJXVQFEXYETQ-WGOQTCKBSA-N 0 0 534.127 8.200 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409349745 1072547096 /nfs/dbraw/zinc/54/70/96/1072547096.db2.gz WAYVIBLBSWSMGR-RDRPBHBLSA-N 0 0 557.716 6.910 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142529 1072547669 /nfs/dbraw/zinc/54/76/69/1072547669.db2.gz AOKJYIOACDQBCL-AUEPDCJTSA-N 0 0 696.914 7.893 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409349447 1072548752 /nfs/dbraw/zinc/54/87/52/1072548752.db2.gz PZYBAUOXFGIGAK-SCDVKCJHSA-N 0 0 699.100 9.810 40 10 KKCBRN O=C1[C@H](Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142186 1072549114 /nfs/dbraw/zinc/54/91/14/1072549114.db2.gz BYDYDVSQBFMKCE-QFIPXVFZSA-N 0 0 585.347 7.446 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409142180 1072549215 /nfs/dbraw/zinc/54/92/15/1072549215.db2.gz RSVRGDHHPVTGGM-OPEKNORGSA-N 0 0 696.516 8.182 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc2ccccc21 ZINC000409349528 1072549707 /nfs/dbraw/zinc/54/97/07/1072549707.db2.gz QPXGZGSRQQBYQB-MFKUBSTISA-N 0 0 550.474 7.726 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142009 1072550037 /nfs/dbraw/zinc/55/00/37/1072550037.db2.gz PJMISJUJXNSIPL-AUEPDCJTSA-N 0 0 756.469 6.924 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1Cl ZINC000409349385 1072550293 /nfs/dbraw/zinc/55/02/93/1072550293.db2.gz PLTGHUPJAZMOKC-VXLYETTFSA-N 0 0 551.827 6.685 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409349391 1072550704 /nfs/dbraw/zinc/55/07/04/1072550704.db2.gz POEGTPCWXGJOJX-AFUMVMLFSA-N 0 0 544.525 7.994 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409349287 1072552069 /nfs/dbraw/zinc/55/20/69/1072552069.db2.gz VMESLXDHHTZVIT-LPYMAVHISA-N 0 0 523.548 6.100 40 10 KKCBRN O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409349289 1072552091 /nfs/dbraw/zinc/55/20/91/1072552091.db2.gz VMPONQADJZWYCX-JCMHNJIXSA-N 0 0 501.551 6.569 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000409349283 1072552097 /nfs/dbraw/zinc/55/20/97/1072552097.db2.gz VKZQVOUQSWBWFV-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)cc1 ZINC000409349038 1072552407 /nfs/dbraw/zinc/55/24/07/1072552407.db2.gz UGFVJOIQFUIGAO-OEAKJJBVSA-N 0 0 559.938 7.153 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409349136 1072552967 /nfs/dbraw/zinc/55/29/67/1072552967.db2.gz UPSLMKLQDCCDSU-HYARGMPZSA-N 0 0 521.576 5.027 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)cc1 ZINC000409348874 1072553289 /nfs/dbraw/zinc/55/32/89/1072553289.db2.gz SZERATSJDAPCCP-OYKKKHCWSA-N 0 0 519.489 7.166 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409141484 1072553695 /nfs/dbraw/zinc/55/36/95/1072553695.db2.gz ISRYQAYRPGHGSJ-XMHNKCIGSA-N 0 0 531.530 6.939 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409348997 1072554218 /nfs/dbraw/zinc/55/42/18/1072554218.db2.gz TZBFDFHKAMHTGQ-ZVBGSRNCSA-N 0 0 523.504 5.430 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409348752 1072554242 /nfs/dbraw/zinc/55/42/42/1072554242.db2.gz PFGPWTLUIAWFEH-FBHDLOMBSA-N 0 0 585.759 8.394 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409141360 1072554558 /nfs/dbraw/zinc/55/45/58/1072554558.db2.gz NOOSSGOBOHVPFJ-ZVHZXABRSA-N 0 0 582.103 5.529 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409348609 1072555601 /nfs/dbraw/zinc/55/56/01/1072555601.db2.gz PDPFXAWEDHELCX-OGLMXYFKSA-N 0 0 560.741 7.249 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1Cl ZINC000409348442 1072556122 /nfs/dbraw/zinc/55/61/22/1072556122.db2.gz SSWXSIVRRANQKJ-CVKSISIWSA-N 0 0 552.504 8.140 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409140854 1072556409 /nfs/dbraw/zinc/55/64/09/1072556409.db2.gz SVBOHIIMAQVBSN-TWKHWXDSSA-N 0 0 540.660 7.481 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000409140877 1072556716 /nfs/dbraw/zinc/55/67/16/1072556716.db2.gz GMAFHMSIJKPXJX-IWIPYMOSSA-N 0 0 521.708 5.895 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409348330 1072557314 /nfs/dbraw/zinc/55/73/14/1072557314.db2.gz SDYYCFSXZWJTDT-WSDLNYQXSA-N 0 0 576.534 7.304 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1C ZINC000409348226 1072559184 /nfs/dbraw/zinc/55/91/84/1072559184.db2.gz SDTGBCHHWSCFGJ-YDZHTSKRSA-N 0 0 544.923 7.704 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 ZINC000409347731 1072561456 /nfs/dbraw/zinc/56/14/56/1072561456.db2.gz NFTBEETXPRFGQB-RGVLZGJSSA-N 0 0 579.965 6.606 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409347729 1072561558 /nfs/dbraw/zinc/56/15/58/1072561558.db2.gz QZIPFEUHIVEMRA-HYARGMPZSA-N 0 0 585.501 5.592 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409347586 1072562202 /nfs/dbraw/zinc/56/22/02/1072562202.db2.gz QLKWOOIBIFIKHS-IWIPYMOSSA-N 0 0 506.624 6.372 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409347576 1072562255 /nfs/dbraw/zinc/56/22/55/1072562255.db2.gz QKMVBGHWHKDRTN-YDZHTSKRSA-N 0 0 575.590 6.886 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409347434 1072563362 /nfs/dbraw/zinc/56/33/62/1072563362.db2.gz MEGMLCLPQCLYBG-MXAYSNPKSA-N 0 0 631.400 8.903 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000409347533 1072564436 /nfs/dbraw/zinc/56/44/36/1072564436.db2.gz LZPNJEYFCFOPMH-LPYMAVHISA-N 0 0 650.491 5.573 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409347512 1072564442 /nfs/dbraw/zinc/56/44/42/1072564442.db2.gz QFUKSWHFZFQCRQ-OGLMXYFKSA-N 0 0 525.098 8.210 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409139354 1072564652 /nfs/dbraw/zinc/56/46/52/1072564652.db2.gz CXVYUZNVBDDVEL-WSDLNYQXSA-N 0 0 621.937 6.684 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409139413 1072565219 /nfs/dbraw/zinc/56/52/19/1072565219.db2.gz DIMNVDXZBVWBDL-JOCHJYFZSA-N 0 0 540.896 7.337 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409138879 1072568444 /nfs/dbraw/zinc/56/84/44/1072568444.db2.gz JEYYECIKSGJTJU-RCECTWRXSA-N 0 0 592.378 6.595 40 10 KKCBRN COc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409137824 1072573967 /nfs/dbraw/zinc/57/39/67/1072573967.db2.gz WRLHWVIWDHXPDP-ITYLOYPMSA-N 0 0 506.693 6.510 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409137396 1072576300 /nfs/dbraw/zinc/57/63/00/1072576300.db2.gz WYVALUARTCJANR-BKUYFWCQSA-N 0 0 557.853 6.090 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365653 1072577699 /nfs/dbraw/zinc/57/76/99/1072577699.db2.gz VMSSAKFEDRVKTF-UHFFFAOYSA-N 0 0 600.002 6.089 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409146805 1072578420 /nfs/dbraw/zinc/57/84/20/1072578420.db2.gz KXDVVTCZTVMLEJ-ZMFRSBBQSA-N 0 0 567.563 7.969 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409146761 1072580057 /nfs/dbraw/zinc/58/00/57/1072580057.db2.gz ULEPWVNVGLGHPZ-QFIPXVFZSA-N 0 0 540.896 7.337 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1[N+](=O)[O-] ZINC000409146776 1072580078 /nfs/dbraw/zinc/58/00/78/1072580078.db2.gz UURGNERVNGCVHM-LSHDLFTRSA-N 0 0 523.636 5.612 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)c(Cl)c1 ZINC000409146785 1072580523 /nfs/dbraw/zinc/58/05/23/1072580523.db2.gz VELRYQZCWOYMHS-QQXSKIMKSA-N 0 0 545.085 6.927 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC ZINC000409146028 1072584635 /nfs/dbraw/zinc/58/46/35/1072584635.db2.gz RPFWONNBUXJVMT-QRVIBDJDSA-N 0 0 514.713 5.713 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)S1)c1ccccc1 ZINC000409145831 1072585203 /nfs/dbraw/zinc/58/52/03/1072585203.db2.gz RZEYTPIIJPJINY-NDENLUEZSA-N 0 0 501.366 6.112 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409145688 1072585565 /nfs/dbraw/zinc/58/55/65/1072585565.db2.gz PJCAINQRAIMTSP-BHGWPJFGSA-N 0 0 695.044 6.981 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409145570 1072587014 /nfs/dbraw/zinc/58/70/14/1072587014.db2.gz ONVPQYOCBQDDPZ-OYKKKHCWSA-N 0 0 598.102 5.229 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409145322 1072588744 /nfs/dbraw/zinc/58/87/44/1072588744.db2.gz OGNSRWRBHTYFBR-MSXFZWOLSA-N 0 0 586.953 7.504 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)c(Br)c(C)c4)c3C)NC2=S)cc1 ZINC000409147349 1072591160 /nfs/dbraw/zinc/59/11/60/1072591160.db2.gz VYMBJKNYLZTGQP-UCQKPKSFSA-N 0 0 524.484 6.134 40 10 KKCBRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1 ZINC000409362249 1072596017 /nfs/dbraw/zinc/59/60/17/1072596017.db2.gz SXCVMWRFCKRHOF-REHNQOOKSA-N 0 0 513.627 5.761 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409155912 1072597592 /nfs/dbraw/zinc/59/75/92/1072597592.db2.gz RVHQAPXBLOCYLW-UZINWLIJSA-N 0 0 569.883 8.042 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409155318 1072600446 /nfs/dbraw/zinc/60/04/46/1072600446.db2.gz IGXAMSJLBDHZCA-GOHWNWGWSA-N 0 0 569.883 8.042 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154545 1072604474 /nfs/dbraw/zinc/60/44/74/1072604474.db2.gz BIWIHGYMPUKIRG-RHGYRFJNSA-N 0 0 576.274 8.078 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409360788 1072605606 /nfs/dbraw/zinc/60/56/06/1072605606.db2.gz OORFPCWCCVBYRL-WGARJPEWSA-N 0 0 541.654 6.031 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409151182 1072624451 /nfs/dbraw/zinc/62/44/51/1072624451.db2.gz GYPIFPBQELDILE-FBHDLOMBSA-N 0 0 533.959 6.441 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409376642 1072628010 /nfs/dbraw/zinc/62/80/10/1072628010.db2.gz CCLYDNKTBXVSSX-WQRHYEAKSA-N 0 0 604.329 6.253 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409376521 1072628959 /nfs/dbraw/zinc/62/89/59/1072628959.db2.gz YQYRGLIOASFFSI-UHFFFAOYSA-N 0 0 626.463 6.059 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409150019 1072630943 /nfs/dbraw/zinc/63/09/43/1072630943.db2.gz YIUIQTCJKJBRRH-BHGWPJFGSA-N 0 0 695.044 6.981 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000409150058 1072630956 /nfs/dbraw/zinc/63/09/56/1072630956.db2.gz ZGAQWQROCFQLOX-SSDVNMTOSA-N 0 0 563.915 7.080 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409150117 1072631363 /nfs/dbraw/zinc/63/13/63/1072631363.db2.gz AGTXMXLQUHZJQT-NOMHHCBYSA-N 0 0 568.895 7.612 40 10 KKCBRN O=C1[C@@H](Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409150081 1072631372 /nfs/dbraw/zinc/63/13/72/1072631372.db2.gz ZTUIVNBWIKKTKI-OAQYLSRUSA-N 0 0 664.243 8.208 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OC ZINC000409149919 1072631963 /nfs/dbraw/zinc/63/19/63/1072631963.db2.gz VOIJTGOTRYKODQ-DJKKODMXSA-N 0 0 551.528 5.305 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S ZINC000409375685 1072632274 /nfs/dbraw/zinc/63/22/74/1072632274.db2.gz NXUAQNNVMUTMIH-SXGWCWSVSA-N 0 0 503.270 6.556 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409149991 1072632989 /nfs/dbraw/zinc/63/29/89/1072632989.db2.gz XLZNISPSDXMPBM-LGJNPRDNSA-N 0 0 548.730 6.031 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)SC1=S ZINC000409375224 1072633248 /nfs/dbraw/zinc/63/32/48/1072633248.db2.gz HLHVZMZRJFRDGL-SXGWCWSVSA-N 0 0 639.172 6.616 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409149759 1072633529 /nfs/dbraw/zinc/63/35/29/1072633529.db2.gz PRAVSSUAVMSQNL-PCLIKHOPSA-N 0 0 551.068 5.259 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149574 1072634112 /nfs/dbraw/zinc/63/41/12/1072634112.db2.gz KLBSOGDLDQEZTL-AUEPDCJTSA-N 0 0 580.644 5.744 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149487 1072635609 /nfs/dbraw/zinc/63/56/09/1072635609.db2.gz HQQJREOVWWNYSQ-WYMPLXKRSA-N 0 0 549.674 5.623 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1 ZINC000409149431 1072635620 /nfs/dbraw/zinc/63/56/20/1072635620.db2.gz GBLNBRSJKJKSPS-VULFUBBASA-N 0 0 548.730 6.113 40 10 KKCBRN O=C1[C@H](Cc2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409149402 1072637189 /nfs/dbraw/zinc/63/71/89/1072637189.db2.gz FGVQQEFCGHZBPD-QFIPXVFZSA-N 0 0 534.447 6.278 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409148911 1072640021 /nfs/dbraw/zinc/64/00/21/1072640021.db2.gz UJFZHTAHRPRNQL-RWPZCVJISA-N 0 0 569.554 8.597 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4SC(=O)N(CC(=O)c5ccc(Cl)cc5)C4=O)c3C)cc2)cc1 ZINC000409148764 1072640577 /nfs/dbraw/zinc/64/05/77/1072640577.db2.gz RKFZVHBPROACEC-RHANQZHGSA-N 0 0 573.070 7.468 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409373949 1072641199 /nfs/dbraw/zinc/64/11/99/1072641199.db2.gz WACVBNFRPYCFBS-UUYOSTAYSA-N 0 0 587.510 6.257 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC1=S ZINC000409148412 1072642251 /nfs/dbraw/zinc/64/22/51/1072642251.db2.gz PQWIRNJHACZVEF-JMIUGGIZSA-N 0 0 566.340 6.062 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000409373134 1072642909 /nfs/dbraw/zinc/64/29/09/1072642909.db2.gz QPBSEGABFGMRLR-NHDPSOOVSA-N 0 0 547.489 6.347 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S ZINC000409372805 1072644015 /nfs/dbraw/zinc/64/40/15/1072644015.db2.gz NPBQPNATFTXUBZ-BNCCVWRVSA-N 0 0 542.267 6.175 40 10 KKCBRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409372206 1072647027 /nfs/dbraw/zinc/64/70/27/1072647027.db2.gz MBSGXVOPEQAWCA-CIAFOILYSA-N 0 0 532.474 6.872 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147558 1072647912 /nfs/dbraw/zinc/64/79/12/1072647912.db2.gz XIVRMZLVRWMTQL-MSXFZWOLSA-N 0 0 522.667 5.854 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165698 1072653678 /nfs/dbraw/zinc/65/36/78/1072653678.db2.gz AYXKMXFEMIVSNP-GGUMNFRJSA-N 0 0 576.274 8.078 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409370558 1072654015 /nfs/dbraw/zinc/65/40/15/1072654015.db2.gz ANIAIYZSTRWFHC-SSDVNMTOSA-N 0 0 643.401 8.216 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409165462 1072655105 /nfs/dbraw/zinc/65/51/05/1072655105.db2.gz YLXXSTJTFVDUIW-RHGYRFJNSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409165232 1072655468 /nfs/dbraw/zinc/65/54/68/1072655468.db2.gz VBSMTPCZVQWVBB-KCYKTTMJSA-N 0 0 600.167 9.477 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409369317 1072659221 /nfs/dbraw/zinc/65/92/21/1072659221.db2.gz KQBGALMMBXPLGP-FSJBWODESA-N 0 0 619.508 6.817 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409369073 1072660955 /nfs/dbraw/zinc/66/09/55/1072660955.db2.gz AENNCDZTAMZCSD-GRSHGNNSSA-N 0 0 570.476 5.272 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409368713 1072661971 /nfs/dbraw/zinc/66/19/71/1072661971.db2.gz JALDQNSMGFGCKB-FMCGGJTJSA-N 0 0 574.511 6.827 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409368944 1072662023 /nfs/dbraw/zinc/66/20/23/1072662023.db2.gz UEHZOUPPNJMZMN-DJKKODMXSA-N 0 0 592.442 6.035 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S ZINC000409368828 1072663028 /nfs/dbraw/zinc/66/30/28/1072663028.db2.gz OHUFNQFLWUOAML-FBHDLOMBSA-N 0 0 627.344 7.412 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409368827 1072663160 /nfs/dbraw/zinc/66/31/60/1072663160.db2.gz OHICKKAPHFHUNL-AFPJDJCSSA-N 0 0 722.297 8.978 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S ZINC000409368600 1072663730 /nfs/dbraw/zinc/66/37/30/1072663730.db2.gz DMDHWRPOIYIQMX-KEBDBYFISA-N 0 0 620.902 7.459 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S ZINC000409368409 1072665428 /nfs/dbraw/zinc/66/54/28/1072665428.db2.gz UJBOMOOHJPNDTP-MKMNVTDBSA-N 0 0 519.229 5.399 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409368263 1072666593 /nfs/dbraw/zinc/66/65/93/1072666593.db2.gz QPRJTNPNRKKDHV-VIZOYTHASA-N 0 0 610.282 5.553 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409368026 1072666601 /nfs/dbraw/zinc/66/66/01/1072666601.db2.gz QCQLMLJKTICDFC-YSURURNPSA-N 0 0 588.582 7.408 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409368083 1072667275 /nfs/dbraw/zinc/66/72/75/1072667275.db2.gz MXMJCKFUEYTESW-VXLYETTFSA-N 0 0 565.416 6.108 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc12 ZINC000409367879 1072667731 /nfs/dbraw/zinc/66/77/31/1072667731.db2.gz IWWJAJYGYCWTPN-VXLYETTFSA-N 0 0 504.420 6.093 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)c(Cl)c1 ZINC000409162748 1072667988 /nfs/dbraw/zinc/66/79/88/1072667988.db2.gz ZUPFPFUMHWJMRE-SSDVNMTOSA-N 0 0 563.915 7.080 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409367958 1072668293 /nfs/dbraw/zinc/66/82/93/1072668293.db2.gz JZVJNOFOFSPKRC-CFRMEGHHSA-N 0 0 585.513 7.382 40 10 KKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409367496 1072670405 /nfs/dbraw/zinc/67/04/05/1072670405.db2.gz BYDKQIZFSWVWGG-FGHSJCFPSA-N 0 0 526.467 6.117 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)SC1=S ZINC000409379367 1072671480 /nfs/dbraw/zinc/67/14/80/1072671480.db2.gz WLMYSJJVXCWDBU-YVLHZVERSA-N 0 0 527.303 6.320 40 10 KKCBRN COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4ccccc4F)c(Cl)c3)SC2=S)cc1 ZINC000409161730 1072675269 /nfs/dbraw/zinc/67/52/69/1072675269.db2.gz PGBJAOZKMCJNDU-HSZRJFAPSA-N 0 0 502.032 6.038 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409161640 1072676173 /nfs/dbraw/zinc/67/61/73/1072676173.db2.gz NWVDSLKLWRMVLW-UFFVCSGVSA-N 0 0 672.888 7.676 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409160838 1072680463 /nfs/dbraw/zinc/68/04/63/1072680463.db2.gz ZRWZSINJAIDUBE-LGVUCKNBSA-N 0 0 603.340 8.265 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409160670 1072680956 /nfs/dbraw/zinc/68/09/56/1072680956.db2.gz VRNFYDWJHDKRTF-FUMQJTLXSA-N 0 0 606.300 8.087 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)ccc1Cl ZINC000409158652 1072692448 /nfs/dbraw/zinc/69/24/48/1072692448.db2.gz XTUCCCSUNLOMQZ-KSEXSDGBSA-N 0 0 606.022 6.618 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157294 1072699684 /nfs/dbraw/zinc/69/96/84/1072699684.db2.gz IFHGLSCCTMRJAZ-OJLQRUNKSA-N 0 0 599.274 9.189 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)N2 ZINC000409166929 1072702459 /nfs/dbraw/zinc/70/24/59/1072702459.db2.gz HAEMCJWVVRSMKF-UZEJHQAJSA-N 0 0 589.313 7.957 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166748 1072702818 /nfs/dbraw/zinc/70/28/18/1072702818.db2.gz FOGSFZJLUFNTKU-RRQZXNHTSA-N 0 0 565.722 8.823 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409166603 1072703728 /nfs/dbraw/zinc/70/37/28/1072703728.db2.gz FLINIEJIASEWGC-MPCDZSKCSA-N 0 0 537.410 6.780 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166602 1072703765 /nfs/dbraw/zinc/70/37/65/1072703765.db2.gz DHXAIPSPXQFCFF-WOVHNISZSA-N 0 0 535.438 7.388 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176720 1072710712 /nfs/dbraw/zinc/71/07/12/1072710712.db2.gz VYHWPUHLKYMNAA-DNTJNYDQSA-N 0 0 633.826 8.367 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409380980 1072713948 /nfs/dbraw/zinc/71/39/48/1072713948.db2.gz CKAJBIMRLMSYRN-JAIQZWGSSA-N 0 0 520.424 5.045 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409175950 1072714013 /nfs/dbraw/zinc/71/40/13/1072714013.db2.gz FNYJIZLQBUXQFN-LSHDLFTRSA-N 0 0 538.424 7.265 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409175927 1072714024 /nfs/dbraw/zinc/71/40/24/1072714024.db2.gz DYXUZCLJEVSILR-HYARGMPZSA-N 0 0 614.499 5.881 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409381031 1072714506 /nfs/dbraw/zinc/71/45/06/1072714506.db2.gz RAYQEEYSNZFVGA-OCKHKDLRSA-N 0 0 547.323 6.955 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409175805 1072714892 /nfs/dbraw/zinc/71/48/92/1072714892.db2.gz VCCYITHJJCVNPG-UNVFRBQDSA-N 0 0 604.328 8.695 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC ZINC000409174342 1072722963 /nfs/dbraw/zinc/72/29/63/1072722963.db2.gz SLXNSHBNVOGRDQ-AQTBWJFISA-N 0 0 568.458 5.025 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)o1 ZINC000409389104 1072734707 /nfs/dbraw/zinc/73/47/07/1072734707.db2.gz MBOHJUYXVLEBCY-CVKSISIWSA-N 0 0 589.651 6.770 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409172160 1072735866 /nfs/dbraw/zinc/73/58/66/1072735866.db2.gz IVNOPQMUNMBNOC-OHUGHZGNSA-N 0 0 571.855 7.433 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409171741 1072739119 /nfs/dbraw/zinc/73/91/19/1072739119.db2.gz GGMRXKWADKSBEK-CCVNUDIWSA-N 0 0 710.165 5.964 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C2=O)o1 ZINC000409387418 1072743265 /nfs/dbraw/zinc/74/32/65/1072743265.db2.gz WNZXSTMPDJWERB-UFFVCSGVSA-N 0 0 500.960 5.372 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N2 ZINC000409170067 1072746935 /nfs/dbraw/zinc/74/69/35/1072746935.db2.gz SIOGFLUJUAUDLS-RRQZXNHTSA-N 0 0 554.868 7.303 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)o1 ZINC000409399894 1072747666 /nfs/dbraw/zinc/74/76/66/1072747666.db2.gz LVAHUIOCKXTASG-XKZIYDEJSA-N 0 0 503.942 5.124 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186263 1072762742 /nfs/dbraw/zinc/76/27/42/1072762742.db2.gz ZPFZFNOLWOOTIG-DQUCYXPBSA-N 0 0 668.863 8.050 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186088 1072763248 /nfs/dbraw/zinc/76/32/48/1072763248.db2.gz WLXFFNGMOGFZCS-BTVRMGTGSA-N 0 0 688.249 8.312 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186107 1072763699 /nfs/dbraw/zinc/76/36/99/1072763699.db2.gz WQUQAIKUVXZCBC-KRJBTMGSSA-N 0 0 829.586 9.323 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185936 1072764938 /nfs/dbraw/zinc/76/49/38/1072764938.db2.gz SWFTWYIQSQQESS-DXKWQJJKSA-N 0 0 733.890 8.821 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185985 1072765484 /nfs/dbraw/zinc/76/54/84/1072765484.db2.gz UJGOAWYBNXLCIX-YVVOKCFYSA-N 0 0 698.845 7.274 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185992 1072765970 /nfs/dbraw/zinc/76/59/70/1072765970.db2.gz UNORZKWTTNEZFB-BITBMSFSSA-N 0 0 785.135 9.214 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185907 1072768038 /nfs/dbraw/zinc/76/80/38/1072768038.db2.gz SJOPMDVHASVAON-DKDMBQFYSA-N 0 0 827.716 8.411 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185634 1072768069 /nfs/dbraw/zinc/76/80/69/1072768069.db2.gz NRAMXKGVFZNQED-RQBSVBTHSA-N 0 0 846.041 9.837 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185895 1072768114 /nfs/dbraw/zinc/76/81/14/1072768114.db2.gz SDFRUJQCQRWNMF-ISMPAJQOSA-N 0 0 858.596 9.026 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185679 1072768567 /nfs/dbraw/zinc/76/85/67/1072768567.db2.gz ONTSIBIGUWWZSD-RUVKEVNFSA-N 0 0 829.760 9.417 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185722 1072768851 /nfs/dbraw/zinc/76/88/51/1072768851.db2.gz PBCJWSVTXOZVAX-BCECABNSSA-N 0 0 675.254 8.141 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185701 1072768884 /nfs/dbraw/zinc/76/88/84/1072768884.db2.gz OVLKGHIJKLGJIT-VJJKPSKZSA-N 0 0 779.700 8.263 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185749 1072769306 /nfs/dbraw/zinc/76/93/06/1072769306.db2.gz PKASQQLKWIABTC-BITBMSFSSA-N 0 0 829.586 9.323 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185590 1072770198 /nfs/dbraw/zinc/77/01/98/1072770198.db2.gz MYWXGWCHHRXPMC-XFPOKXRESA-N 0 0 854.723 8.180 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(O)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185589 1072770222 /nfs/dbraw/zinc/77/02/22/1072770222.db2.gz MYRHBVGZZYNIAV-CZUMTRSGSA-N 0 0 686.628 6.947 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cccc(OC)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185424 1072771122 /nfs/dbraw/zinc/77/11/22/1072771122.db2.gz LJBVZVJBJWTFSV-LQAVQOOVSA-N 0 0 593.705 5.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185209 1072771630 /nfs/dbraw/zinc/77/16/30/1072771630.db2.gz KHCBUPMXVSOCSH-QBMFFJCHSA-N 0 0 744.664 6.403 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185239 1072771978 /nfs/dbraw/zinc/77/19/78/1072771978.db2.gz KLBXPJNNMFOEOH-UKUNAOQTSA-N 0 0 685.802 7.435 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185119 1072772538 /nfs/dbraw/zinc/77/25/38/1072772538.db2.gz JKVKJIODAWLXHC-VTBAUAQGSA-N 0 0 782.760 9.575 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185142 1072772572 /nfs/dbraw/zinc/77/25/72/1072772572.db2.gz JUOCZWLNJBDRNC-IOSUBWPCSA-N 0 0 736.721 9.274 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185131 1072772582 /nfs/dbraw/zinc/77/25/82/1072772582.db2.gz JOJZCAZBLINKJX-PHBIEMHDSA-N 0 0 718.275 8.321 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184906 1072773141 /nfs/dbraw/zinc/77/31/41/1072773141.db2.gz IMDODDNBVVGJFO-AMMKBXEKSA-N 0 0 703.602 6.693 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184999 1072773927 /nfs/dbraw/zinc/77/39/27/1072773927.db2.gz ZXTNJTJHTHDPLA-FIACUALZSA-N 0 0 708.859 8.530 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409184980 1072773961 /nfs/dbraw/zinc/77/39/61/1072773961.db2.gz JADMIVGIZBHAOL-YBXDKENTSA-N 0 0 510.859 7.825 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184828 1072774469 /nfs/dbraw/zinc/77/44/69/1072774469.db2.gz IBANGYPAFOAYBK-WMGYHRCKSA-N 0 0 880.486 10.491 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184838 1072774522 /nfs/dbraw/zinc/77/45/22/1072774522.db2.gz IGGJYGGAHJTWRS-BQKGOEEESA-N 0 0 712.872 7.664 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(F)cccc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184876 1072774992 /nfs/dbraw/zinc/77/49/92/1072774992.db2.gz IJGPILHOLBYZQT-YJSHLOSGSA-N 0 0 600.115 6.872 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184477 1072775926 /nfs/dbraw/zinc/77/59/26/1072775926.db2.gz GUTWNWLRUSVUKV-DQEUGKQMSA-N 0 0 780.732 8.400 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184386 1072777721 /nfs/dbraw/zinc/77/77/21/1072777721.db2.gz WOWUAGRMSYUBGB-HANJQSTFSA-N 0 0 686.628 6.860 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184226 1072778587 /nfs/dbraw/zinc/77/85/87/1072778587.db2.gz FVTWYZAEEGSRCM-PETUTSIESA-N 0 0 845.643 10.127 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184160 1072779486 /nfs/dbraw/zinc/77/94/86/1072779486.db2.gz FMJYWAHJFCCONE-UJBYRJLJSA-N 0 0 763.272 8.229 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183792 1072780758 /nfs/dbraw/zinc/78/07/58/1072780758.db2.gz SRHZTGQDIJAHLD-OFABCYNXSA-N 0 0 603.788 7.377 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183805 1072780825 /nfs/dbraw/zinc/78/08/25/1072780825.db2.gz DOYAFQGQAMWPEN-OCWCBZJMSA-N 0 0 672.763 7.556 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183609 1072781648 /nfs/dbraw/zinc/78/16/48/1072781648.db2.gz CJVJDSLIEHXTOI-HGTXDYBSSA-N 0 0 797.171 9.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183596 1072781711 /nfs/dbraw/zinc/78/17/11/1072781711.db2.gz CDZSUCWGSGPAEP-IRKIBWNTSA-N 0 0 821.750 8.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183195 1072784988 /nfs/dbraw/zinc/78/49/88/1072784988.db2.gz AUMKAKUDJJVMFP-HDORNCSZSA-N 0 0 750.292 8.850 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183243 1072785309 /nfs/dbraw/zinc/78/53/09/1072785309.db2.gz QVLHQGXPVBMNAG-HVPHOBGISA-N 0 0 806.735 8.159 40 10 KKCBRN CCN1c2ccccc2S/C1=C\C=C/C1=CC(c2ccccc2)=NC2=S=C(C(=O)C(F)(F)F)C(=O)N21 ZINC000409415792 1072785427 /nfs/dbraw/zinc/78/54/27/1072785427.db2.gz OFPDLLQTFJTZIO-GBJATQMGSA-N 0 0 525.577 5.370 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182802 1072788061 /nfs/dbraw/zinc/78/80/61/1072788061.db2.gz ODHNICUOMJKAGF-DGWBYFALSA-N 0 0 855.649 9.583 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409182608 1072789274 /nfs/dbraw/zinc/78/92/74/1072789274.db2.gz NHFIEBVYXXAVDD-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409182395 1072791942 /nfs/dbraw/zinc/79/19/42/1072791942.db2.gz LHDGMAUJDLZFRB-LZYBPNLTSA-N 0 0 502.814 6.055 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182123 1072793437 /nfs/dbraw/zinc/79/34/37/1072793437.db2.gz IJEXDTOPBRTETB-HIQULWONSA-N 0 0 647.800 8.386 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181774 1072795146 /nfs/dbraw/zinc/79/51/46/1072795146.db2.gz DRZJAMDOMIVIPN-WIZDWEQDSA-N 0 0 671.794 7.798 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409181626 1072795961 /nfs/dbraw/zinc/79/59/61/1072795961.db2.gz DXVYKFXJSVCFSJ-VXLYETTFSA-N 0 0 508.379 6.585 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181457 1072797398 /nfs/dbraw/zinc/79/73/98/1072797398.db2.gz ATKRZPOMORYPJY-RQBSVBTHSA-N 0 0 740.684 9.105 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181498 1072797981 /nfs/dbraw/zinc/79/79/81/1072797981.db2.gz CBRMWPKWULWZPW-BSPUBTSWSA-N 0 0 718.659 7.329 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409181316 1072798789 /nfs/dbraw/zinc/79/87/89/1072798789.db2.gz AVNMDSPYAUVGTB-XYGWBWBKSA-N 0 0 561.685 5.382 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1ccccc1 ZINC000409180778 1072802300 /nfs/dbraw/zinc/80/23/00/1072802300.db2.gz VRIMRWLKJCIIHG-UDWIEESQSA-N 0 0 622.335 6.476 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409180156 1072805954 /nfs/dbraw/zinc/80/59/54/1072805954.db2.gz PUDZVQFBIPYNNZ-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409408797 1072814237 /nfs/dbraw/zinc/81/42/37/1072814237.db2.gz RPFIRJPXHCKVIQ-NDENLUEZSA-N 0 0 572.253 5.651 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409407663 1072820946 /nfs/dbraw/zinc/82/09/46/1072820946.db2.gz NJMUNYJZGFQXMV-ODLFYWEKSA-N 0 0 605.226 5.103 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409177581 1072822678 /nfs/dbraw/zinc/82/26/78/1072822678.db2.gz AMDSMGSHYLTYND-JFLMPSFJSA-N 0 0 564.107 6.749 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1 ZINC000409197024 1072827093 /nfs/dbraw/zinc/82/70/93/1072827093.db2.gz UEIRSQVMGVEVKX-JLPGSUDCSA-N 0 0 531.659 5.262 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409197089 1072827592 /nfs/dbraw/zinc/82/75/92/1072827592.db2.gz VQVSUZIWYZIIAA-SRZZPIQSSA-N 0 0 609.336 7.344 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409196642 1072830179 /nfs/dbraw/zinc/83/01/79/1072830179.db2.gz QOZYUBHJGCZMPX-ZVHZXABRSA-N 0 0 522.604 5.987 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409196001 1072833187 /nfs/dbraw/zinc/83/31/87/1072833187.db2.gz MDYPKQNHIHPABQ-RGVLZGJSSA-N 0 0 596.341 6.885 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000409193074 1072850862 /nfs/dbraw/zinc/85/08/62/1072850862.db2.gz BDDJSHJZOMUJIL-BUVRLJJBSA-N 0 0 516.644 5.813 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1F ZINC000409192806 1072853260 /nfs/dbraw/zinc/85/32/60/1072853260.db2.gz BLSJEZDLBBUUJY-YDZHTSKRSA-N 0 0 544.467 6.972 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409191152 1072865315 /nfs/dbraw/zinc/86/53/15/1072865315.db2.gz ZZGJVZYUTAKRHF-JVWAILMASA-N 0 0 533.024 7.707 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409207180 1072887218 /nfs/dbraw/zinc/88/72/18/1072887218.db2.gz STZACAXEDNQIFP-UKWGHVSLSA-N 0 0 538.319 7.569 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409206635 1072891195 /nfs/dbraw/zinc/89/11/95/1072891195.db2.gz ZADNNYJAWDVYOC-FMCGGJTJSA-N 0 0 510.015 5.740 40 10 KKCBRN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409206409 1072891910 /nfs/dbraw/zinc/89/19/10/1072891910.db2.gz NZHYUOCELBVDOO-YBFXNURJSA-N 0 0 506.830 6.777 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206446 1072892468 /nfs/dbraw/zinc/89/24/68/1072892468.db2.gz OLMQKACHFAOTGZ-ZVHZXABRSA-N 0 0 521.620 5.654 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)c2ccccc21 ZINC000409206281 1072892960 /nfs/dbraw/zinc/89/29/60/1072892960.db2.gz SSUBMRQXSYIFOZ-XQNSMLJCSA-N 0 0 506.444 5.600 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409205806 1072895221 /nfs/dbraw/zinc/89/52/21/1072895221.db2.gz UFPKKOJRMRMLGY-JVWAILMASA-N 0 0 555.527 7.698 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409206057 1072895305 /nfs/dbraw/zinc/89/53/05/1072895305.db2.gz UXAPFBIHRQWSLT-DFKUXCBWSA-N 0 0 571.702 7.085 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205871 1072895518 /nfs/dbraw/zinc/89/55/18/1072895518.db2.gz PVFLTMPEHPDSMR-SRZZPIQSSA-N 0 0 526.552 5.260 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409205551 1072897070 /nfs/dbraw/zinc/89/70/70/1072897070.db2.gz PHSQJQSJBCTPEW-SSDVNMTOSA-N 0 0 519.475 6.537 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000409205421 1072898576 /nfs/dbraw/zinc/89/85/76/1072898576.db2.gz QHVLUVSJRHHZPW-XKZIYDEJSA-N 0 0 540.439 5.540 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409205075 1072899955 /nfs/dbraw/zinc/89/99/55/1072899955.db2.gz KYUPYVUHUHBLSS-LFVJCYFKSA-N 0 0 501.589 6.034 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)ccc1Cl ZINC000409204834 1072902552 /nfs/dbraw/zinc/90/25/52/1072902552.db2.gz JZEPEOMHLSPBQM-UHFFFAOYSA-N 0 0 557.027 6.525 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409204612 1072903045 /nfs/dbraw/zinc/90/30/45/1072903045.db2.gz BKPXRYNEWHSPMD-MTJSOVHGSA-N 0 0 597.940 5.145 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000409204304 1072906675 /nfs/dbraw/zinc/90/66/75/1072906675.db2.gz DZCUWSBUQYCEEH-UFFVCSGVSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(SC)c4)C3=O)c2C)cc1 ZINC000409204122 1072907187 /nfs/dbraw/zinc/90/71/87/1072907187.db2.gz BMZFMPRLXRGWAJ-QRVIBDJDSA-N 0 0 507.637 5.500 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409203569 1072909535 /nfs/dbraw/zinc/90/95/35/1072909535.db2.gz XJINIPRSFZRGKF-UCQKPKSFSA-N 0 0 646.528 5.742 40 10 KKCBRN CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC ZINC000409201795 1072916430 /nfs/dbraw/zinc/91/64/30/1072916430.db2.gz YETYTIBSFJBGMP-NVMNQCDNSA-N 0 0 542.860 5.459 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409201802 1072916568 /nfs/dbraw/zinc/91/65/68/1072916568.db2.gz QBHICJJYSYKFBB-WOJGMQOQSA-N 0 0 521.255 6.877 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409201588 1072917228 /nfs/dbraw/zinc/91/72/28/1072917228.db2.gz WOZQWBHHFOBSMH-YUMHPJSZSA-N 0 0 555.522 8.011 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200296 1072922828 /nfs/dbraw/zinc/92/28/28/1072922828.db2.gz KPAARQNCEREMNC-LSHDLFTRSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198841 1072927978 /nfs/dbraw/zinc/92/79/78/1072927978.db2.gz LRCYHDSTOINGAI-JMIUGGIZSA-N 0 0 531.974 6.379 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409198850 1072927986 /nfs/dbraw/zinc/92/79/86/1072927986.db2.gz FYCFMRHZKXOSBT-GIJQJNRQSA-N 0 0 504.376 6.495 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409198732 1072928487 /nfs/dbraw/zinc/92/84/87/1072928487.db2.gz KKUYFIKONTVPDD-LICLKQGHSA-N 0 0 511.249 7.422 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)ccc1Cl ZINC000409198737 1072928925 /nfs/dbraw/zinc/92/89/25/1072928925.db2.gz KLFWZNJEZKNBBW-JAIQZWGSSA-N 0 0 538.861 7.489 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)c2C)cc1 ZINC000409198235 1072930936 /nfs/dbraw/zinc/93/09/36/1072930936.db2.gz AKFCZXVZVKUUBU-NHDPSOOVSA-N 0 0 533.900 6.924 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409197928 1072932794 /nfs/dbraw/zinc/93/27/94/1072932794.db2.gz SESOYBHOHPPTES-JVWAILMASA-N 0 0 576.537 7.986 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409197770 1072933377 /nfs/dbraw/zinc/93/33/77/1072933377.db2.gz OOAAWANGMIOEDP-OYKKKHCWSA-N 0 0 553.934 7.820 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409209334 1072968525 /nfs/dbraw/zinc/96/85/25/1072968525.db2.gz FXIACIHHFJIEJL-FBHDLOMBSA-N 0 0 501.345 5.071 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409226366 1072974056 /nfs/dbraw/zinc/97/40/56/1072974056.db2.gz NEABBSITYVLFBD-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409224070 1072985001 /nfs/dbraw/zinc/98/50/01/1072985001.db2.gz HHTNVQKOARGIPP-NHDPSOOVSA-N 0 0 583.440 7.436 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409223634 1072986677 /nfs/dbraw/zinc/98/66/77/1072986677.db2.gz IZFDUVBLVCZDNC-UHFFFAOYSA-N 0 0 630.882 6.703 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409222851 1072991794 /nfs/dbraw/zinc/99/17/94/1072991794.db2.gz DKWZWQDWAFLJSC-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409222418 1072994391 /nfs/dbraw/zinc/99/43/91/1072994391.db2.gz XAPMEQRKDADIJQ-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409221777 1072997055 /nfs/dbraw/zinc/99/70/55/1072997055.db2.gz VEGJYEXVSLIQAN-KSEXSDGBSA-N 0 0 573.479 6.141 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409221687 1072998706 /nfs/dbraw/zinc/99/87/06/1072998706.db2.gz UVQDSKFWNNVRKT-BEXDPUPVSA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409220998 1073000874 /nfs/dbraw/zinc/00/08/74/1073000874.db2.gz JBJQJJCFOJULQB-PKAZHMFMSA-N 0 0 560.741 6.996 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409219147 1073010099 /nfs/dbraw/zinc/01/00/99/1073010099.db2.gz JLNFOZNFEYFRSG-MZJWZYIUSA-N 0 0 667.538 6.140 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409229635 1073019234 /nfs/dbraw/zinc/01/92/34/1073019234.db2.gz SDISUPVERODJMJ-YQODDJSKSA-N 0 0 567.516 5.790 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409229505 1073020035 /nfs/dbraw/zinc/02/00/35/1073020035.db2.gz PZTBPILQLCQYAM-BUVRLJJBSA-N 0 0 522.070 6.720 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409229335 1073021187 /nfs/dbraw/zinc/02/11/87/1073021187.db2.gz NMRHVCHOJLNODK-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409229195 1073021971 /nfs/dbraw/zinc/02/19/71/1073021971.db2.gz LBAVRTHWILKNRE-GRSHGNNSSA-N 0 0 569.930 6.048 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409229249 1073022598 /nfs/dbraw/zinc/02/25/98/1073022598.db2.gz MBZSEDGLIWHBQN-STZFKDTASA-N 0 0 554.612 5.359 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409228838 1073025850 /nfs/dbraw/zinc/02/58/50/1073025850.db2.gz FWTCAFOEBFDLHT-WSLHGYQHSA-N 0 0 553.105 6.719 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1Br ZINC000409228138 1073028097 /nfs/dbraw/zinc/02/80/97/1073028097.db2.gz UONXFFJWCALKKP-CIAFOILYSA-N 0 0 544.858 6.185 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 ZINC000409227830 1073029405 /nfs/dbraw/zinc/02/94/05/1073029405.db2.gz RRAUPUKTNYYQNL-SSDVNMTOSA-N 0 0 513.978 5.570 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409227874 1073029792 /nfs/dbraw/zinc/02/97/92/1073029792.db2.gz SGOQLKLCSNZUAT-WMWHPZEKSA-N 0 0 587.550 7.372 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409237167 1073032496 /nfs/dbraw/zinc/03/24/96/1073032496.db2.gz JTJMWQSZCVRYEL-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409237259 1073032974 /nfs/dbraw/zinc/03/29/74/1073032974.db2.gz JBWWDRAZTCWYDO-CFRMEGHHSA-N 0 0 572.083 5.977 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409236656 1073036991 /nfs/dbraw/zinc/03/69/91/1073036991.db2.gz STIUXYVYXAJIRD-MYYYXRDXSA-N 0 0 568.120 6.228 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409236338 1073039118 /nfs/dbraw/zinc/03/91/18/1073039118.db2.gz FFWUPOQZIGUERC-MSXFZWOLSA-N 0 0 557.068 6.528 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1Cl ZINC000409236055 1073040383 /nfs/dbraw/zinc/04/03/83/1073040383.db2.gz RKDIZWFRCLDJPY-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O ZINC000409235185 1073045659 /nfs/dbraw/zinc/04/56/59/1073045659.db2.gz OCJBUPKNJXAWJU-WSDLNYQXSA-N 0 0 511.409 5.495 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1Cl ZINC000409234115 1073050978 /nfs/dbraw/zinc/05/09/78/1073050978.db2.gz LZMQPMCRQKJJMS-UUYOSTAYSA-N 0 0 573.921 6.834 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409234033 1073052291 /nfs/dbraw/zinc/05/22/91/1073052291.db2.gz XYWBVHGKSVAKQS-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409233970 1073052477 /nfs/dbraw/zinc/05/24/77/1073052477.db2.gz VCSQTRUIRNZXNX-UFFVCSGVSA-N 0 0 536.278 7.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409234097 1073052805 /nfs/dbraw/zinc/05/28/05/1073052805.db2.gz YXKQDUIAMARKLY-CVHFWEDTSA-N 0 0 577.522 5.246 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409233394 1073055485 /nfs/dbraw/zinc/05/54/85/1073055485.db2.gz VSKFBGZNGWIKIQ-FMCGGJTJSA-N 0 0 583.485 5.597 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409233362 1073056960 /nfs/dbraw/zinc/05/69/60/1073056960.db2.gz VHCYKZSEFIDTHL-QRVIBDJDSA-N 0 0 576.593 6.667 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409232719 1073059594 /nfs/dbraw/zinc/05/95/94/1073059594.db2.gz OZYUWWXOBIUSSF-YVNNLAQVSA-N 0 0 579.914 7.079 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409232348 1073060795 /nfs/dbraw/zinc/06/07/95/1073060795.db2.gz OCDWGPLPPBMLHG-JMIUGGIZSA-N 0 0 552.983 6.371 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409232193 1073063008 /nfs/dbraw/zinc/06/30/08/1073063008.db2.gz OREYPFRSRWVZMW-HMAPJEAMSA-N 0 0 579.538 5.411 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)c(OC)c3)SC2=S)cc1 ZINC000409231938 1073063031 /nfs/dbraw/zinc/06/30/31/1073063031.db2.gz GIVQGXJZAZHGKI-MYYYXRDXSA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409231813 1073063991 /nfs/dbraw/zinc/06/39/91/1073063991.db2.gz MKLYFGGFNZVEEF-JJFYIABZSA-N 0 0 579.914 7.079 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409230833 1073068095 /nfs/dbraw/zinc/06/80/95/1073068095.db2.gz GDBKMHOVSCANHP-WSDLNYQXSA-N 0 0 514.434 6.384 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409230801 1073068105 /nfs/dbraw/zinc/06/81/05/1073068105.db2.gz GSPASGHZOKFJNL-JJFYIABZSA-N 0 0 577.486 6.873 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409230416 1073070530 /nfs/dbraw/zinc/07/05/30/1073070530.db2.gz DGQMVKAHZNMOJD-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)ccc1Br ZINC000409247220 1073072118 /nfs/dbraw/zinc/07/21/18/1073072118.db2.gz GXMZKOQBIXCFRS-XKZIYDEJSA-N 0 0 557.466 6.320 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409246844 1073073265 /nfs/dbraw/zinc/07/32/65/1073073265.db2.gz FGJKKZBLTVTVMH-RGVLZGJSSA-N 0 0 534.852 6.729 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409246823 1073073337 /nfs/dbraw/zinc/07/33/37/1073073337.db2.gz DXGAOEFIGISOFW-JAIQZWGSSA-N 0 0 583.440 7.436 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1 ZINC000409246735 1073075076 /nfs/dbraw/zinc/07/50/76/1073075076.db2.gz ATAZKMMECHNNEF-IWIPYMOSSA-N 0 0 567.530 6.743 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409246521 1073075710 /nfs/dbraw/zinc/07/57/10/1073075710.db2.gz CHEPJLXKJQDKNY-RMORIDSASA-N 0 0 577.486 6.873 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1 ZINC000409246460 1073077442 /nfs/dbraw/zinc/07/74/42/1073077442.db2.gz ITZPMTJUYKDBEF-YDZHTSKRSA-N 0 0 510.015 5.740 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)SC2=S)cc1 ZINC000409246200 1073078612 /nfs/dbraw/zinc/07/86/12/1073078612.db2.gz GIPZWDQRSOOEAU-UCQKPKSFSA-N 0 0 557.068 6.473 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409245059 1073085523 /nfs/dbraw/zinc/08/55/23/1073085523.db2.gz MVTDSQARAJKKMD-MTJSOVHGSA-N 0 0 563.459 6.564 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409244929 1073086023 /nfs/dbraw/zinc/08/60/23/1073086023.db2.gz KRDRMLIENVLEKP-YMKHCOABSA-N 0 0 587.550 7.372 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)cc1 ZINC000409244886 1073087364 /nfs/dbraw/zinc/08/73/64/1073087364.db2.gz KAQURRWGWOPRQU-SSDVNMTOSA-N 0 0 574.884 6.194 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409244681 1073087577 /nfs/dbraw/zinc/08/75/77/1073087577.db2.gz HEEPUMIDGYLAJD-BNCCVWRVSA-N 0 0 562.294 5.613 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409244331 1073088262 /nfs/dbraw/zinc/08/82/62/1073088262.db2.gz BCIINDBIBPRGGH-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409244590 1073088393 /nfs/dbraw/zinc/08/83/93/1073088393.db2.gz FYKQCTLAUKMSEC-CFRMEGHHSA-N 0 0 555.077 6.089 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409244072 1073089844 /nfs/dbraw/zinc/08/98/44/1073089844.db2.gz XCUZVIMNMCLBPF-ROTLSHHCSA-N 0 0 587.550 7.378 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409243134 1073094698 /nfs/dbraw/zinc/09/46/98/1073094698.db2.gz YWXQVZANMJHKRB-UCQKPKSFSA-N 0 0 577.049 6.820 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409242472 1073096703 /nfs/dbraw/zinc/09/67/03/1073096703.db2.gz NUSFPPKEPPQBSS-JJUBJSHISA-N 0 0 566.623 5.502 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409242504 1073097018 /nfs/dbraw/zinc/09/70/18/1073097018.db2.gz VITVXEJXBVHXCV-WQRHYEAKSA-N 0 0 555.903 5.740 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409242229 1073098119 /nfs/dbraw/zinc/09/81/19/1073098119.db2.gz VVWBROGZLYLSRR-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1Cl ZINC000409240968 1073103720 /nfs/dbraw/zinc/10/37/20/1073103720.db2.gz MLHWSSGHGMNMDD-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409241005 1073104154 /nfs/dbraw/zinc/10/41/54/1073104154.db2.gz WCTFBFUJLKOZJJ-STBIYBPSSA-N 0 0 526.036 6.728 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000409241097 1073104678 /nfs/dbraw/zinc/10/46/78/1073104678.db2.gz RCYXQEVTGKLJKS-HAHDFKILSA-N 0 0 568.518 5.938 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1 ZINC000409240733 1073106190 /nfs/dbraw/zinc/10/61/90/1073106190.db2.gz POUOLLNIHPPXRQ-CIAFOILYSA-N 0 0 530.433 6.085 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2OCC)cc1 ZINC000409240658 1073107271 /nfs/dbraw/zinc/10/72/71/1073107271.db2.gz UVAUTOVGAWGIEX-XYGWBWBKSA-N 0 0 552.649 6.046 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409240160 1073110487 /nfs/dbraw/zinc/11/04/87/1073110487.db2.gz JWYYNLKGJNAFDF-CFRMEGHHSA-N 0 0 557.524 7.288 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409239598 1073113391 /nfs/dbraw/zinc/11/33/91/1073113391.db2.gz ZNEIDCXDCYPMIV-NVMNQCDNSA-N 0 0 589.455 6.104 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409239462 1073114488 /nfs/dbraw/zinc/11/44/88/1073114488.db2.gz NLFNNDIOPXDHAT-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409238856 1073117903 /nfs/dbraw/zinc/11/79/03/1073117903.db2.gz MFDNAVFRCDPPTE-FMCGGJTJSA-N 0 0 575.495 6.434 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Br)cc1 ZINC000409238740 1073118939 /nfs/dbraw/zinc/11/89/39/1073118939.db2.gz FLWMYDLIOWDQJA-BKUYFWCQSA-N 0 0 559.894 6.526 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409238369 1073120192 /nfs/dbraw/zinc/12/01/92/1073120192.db2.gz XGDSGTCURURAHJ-VYYCAZPPSA-N 0 0 576.696 5.850 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)c1 ZINC000409238125 1073122342 /nfs/dbraw/zinc/12/23/42/1073122342.db2.gz VUUJXEWZTOEQCC-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409237695 1073125457 /nfs/dbraw/zinc/12/54/57/1073125457.db2.gz BGCOYFIPRUMJGX-YDZHTSKRSA-N 0 0 508.043 6.348 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1 ZINC000409237353 1073127108 /nfs/dbraw/zinc/12/71/08/1073127108.db2.gz TYEJBVGFGQMSCS-KSEXSDGBSA-N 0 0 558.512 6.483 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409251076 1073130568 /nfs/dbraw/zinc/13/05/68/1073130568.db2.gz SXPKIOHYSSAZTG-UQQQWYQISA-N 0 0 553.105 6.200 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409250922 1073131908 /nfs/dbraw/zinc/13/19/08/1073131908.db2.gz OVIDOEPVQUWVBA-RWPZCVJISA-N 0 0 573.621 6.626 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409250832 1073133316 /nfs/dbraw/zinc/13/33/16/1073133316.db2.gz ODEKWVOWPQKFII-FBHDLOMBSA-N 0 0 563.484 6.322 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409250694 1073133964 /nfs/dbraw/zinc/13/39/64/1073133964.db2.gz RSGQAQPDEKRCQE-SXGWCWSVSA-N 0 0 561.401 5.373 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000409250343 1073135505 /nfs/dbraw/zinc/13/55/05/1073135505.db2.gz NECAEERGZQXWDP-YPFLROGLSA-N 0 0 581.557 7.046 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409250397 1073136046 /nfs/dbraw/zinc/13/60/46/1073136046.db2.gz KXMDIBRHAMFKRM-ONUIUJJFSA-N 0 0 532.687 5.749 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409250259 1073137062 /nfs/dbraw/zinc/13/70/62/1073137062.db2.gz QEXOIPQXLGXPFE-XKZIYDEJSA-N 0 0 589.920 6.534 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OCC)c2)SC1=S ZINC000409250247 1073137078 /nfs/dbraw/zinc/13/70/78/1073137078.db2.gz MTSCDBPQBJREAY-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409250059 1073137557 /nfs/dbraw/zinc/13/75/57/1073137557.db2.gz MEXQCCPGFIWYNF-MFOYZWKCSA-N 0 0 590.348 6.392 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1 ZINC000409249476 1073141310 /nfs/dbraw/zinc/14/13/10/1073141310.db2.gz IQKQJSUXCGZUPG-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN O=C(CN1C(=O)SC(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)C1=O)Nc1ccc(I)cc1 ZINC000409249224 1073143710 /nfs/dbraw/zinc/14/37/10/1073143710.db2.gz GVUZPQRXTYAHHE-MVSAZNHGSA-N 0 0 653.285 7.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409248892 1073145277 /nfs/dbraw/zinc/14/52/77/1073145277.db2.gz HSAZSMJCFVTEJE-OVZSPSEASA-N 0 0 532.687 5.743 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)SC1=S ZINC000409248764 1073146649 /nfs/dbraw/zinc/14/66/49/1073146649.db2.gz IQESJVFKCZMEGS-BKUYFWCQSA-N 0 0 577.566 6.402 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409248651 1073147524 /nfs/dbraw/zinc/14/75/24/1073147524.db2.gz LTSSARINOCCWCU-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409248395 1073149652 /nfs/dbraw/zinc/14/96/52/1073149652.db2.gz GCODYQGKVSVMTO-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409248196 1073150171 /nfs/dbraw/zinc/15/01/71/1073150171.db2.gz GSICAHYQXPCBJO-JFLMPSFJSA-N 0 0 602.669 6.968 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409247740 1073152661 /nfs/dbraw/zinc/15/26/61/1073152661.db2.gz NNEYYRVBQOYNIT-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409247647 1073153806 /nfs/dbraw/zinc/15/38/06/1073153806.db2.gz FCZTVCADJKMFRI-OGLMXYFKSA-N 0 0 538.629 6.555 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409247387 1073154158 /nfs/dbraw/zinc/15/41/58/1073154158.db2.gz BWZFZXKDIWPHQL-UVHMKAGCSA-N 0 0 603.955 7.991 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409247305 1073154565 /nfs/dbraw/zinc/15/45/65/1073154565.db2.gz MIFAOWUZOYGSOM-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000409256689 1073156162 /nfs/dbraw/zinc/15/61/62/1073156162.db2.gz ORMNPBXKRIQECW-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409257172 1073156982 /nfs/dbraw/zinc/15/69/82/1073156982.db2.gz RJFROQKYPWAVTI-NAHYFOQLSA-N 0 0 537.106 6.882 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S ZINC000409257105 1073158245 /nfs/dbraw/zinc/15/82/45/1073158245.db2.gz QIONNAADHSKQBZ-NQRZERFFSA-N 0 0 542.604 6.685 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409256971 1073158986 /nfs/dbraw/zinc/15/89/86/1073158986.db2.gz QVONQCWPTKCGOW-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256159 1073161834 /nfs/dbraw/zinc/16/18/34/1073161834.db2.gz KEPLKVLGZGYWRQ-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409256067 1073163344 /nfs/dbraw/zinc/16/33/44/1073163344.db2.gz NTJNCIYERGPSIA-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409255555 1073167787 /nfs/dbraw/zinc/16/77/87/1073167787.db2.gz HXDIOBVZKDWEEX-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409254726 1073170461 /nfs/dbraw/zinc/17/04/61/1073170461.db2.gz FHJPPUJZLOMUQN-CFRMEGHHSA-N 0 0 532.643 5.451 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1C ZINC000409254598 1073171369 /nfs/dbraw/zinc/17/13/69/1073171369.db2.gz IDWDPHQLDQYJNB-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 ZINC000409254831 1073171396 /nfs/dbraw/zinc/17/13/96/1073171396.db2.gz FXKDJKFLDJNUDS-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1C ZINC000409254126 1073175145 /nfs/dbraw/zinc/17/51/45/1073175145.db2.gz HSLWAOHTMPKFCZ-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409253852 1073177565 /nfs/dbraw/zinc/17/75/65/1073177565.db2.gz CIPGTMLSNJOGIY-BKUYFWCQSA-N 0 0 532.540 6.268 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409253707 1073178554 /nfs/dbraw/zinc/17/85/54/1073178554.db2.gz GIWWRKAYHTYFCT-PAEMTNLTSA-N 0 0 547.098 5.445 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)c(C)c1 ZINC000409253614 1073180176 /nfs/dbraw/zinc/18/01/76/1073180176.db2.gz XLHBOKQKVPJMQP-FFAHCDIZSA-N 0 0 516.688 6.592 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409252689 1073185692 /nfs/dbraw/zinc/18/56/92/1073185692.db2.gz UQFFZXVBIPNYAR-MYYYXRDXSA-N 0 0 548.686 6.052 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1C ZINC000409252580 1073186625 /nfs/dbraw/zinc/18/66/25/1073186625.db2.gz CKZXDZCBIUDDPL-UHFFFAOYSA-N 0 0 703.387 7.429 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409252173 1073189551 /nfs/dbraw/zinc/18/95/51/1073189551.db2.gz CGQVQCQGBFOQEB-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409251509 1073192693 /nfs/dbraw/zinc/19/26/93/1073192693.db2.gz PGHOWWOGWIQJJC-UHFFFAOYSA-N 0 0 654.517 6.675 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409251533 1073192699 /nfs/dbraw/zinc/19/26/99/1073192699.db2.gz RAMKMEYQWPPJIC-UHFFFAOYSA-N 0 0 614.485 7.211 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409262494 1073193508 /nfs/dbraw/zinc/19/35/08/1073193508.db2.gz HKXNPXKHYBAMSP-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2ccc(NN=C3C=C(C(=O)Nc4ccccc4)C(=O)c4ccccc43)c(C)c2)cc1 ZINC000003991880 1073200918 /nfs/dbraw/zinc/20/09/18/1073200918.db2.gz VXMJLPJEVCSJDH-JEIPZWNWSA-N 0 0 550.640 7.631 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409266405 1073201556 /nfs/dbraw/zinc/20/15/56/1073201556.db2.gz WOQQYSMKDWQASP-JMIUGGIZSA-N 0 0 519.431 6.005 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409266356 1073203147 /nfs/dbraw/zinc/20/31/47/1073203147.db2.gz WDZWSJPRSYWTJM-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1C ZINC000409265822 1073205347 /nfs/dbraw/zinc/20/53/47/1073205347.db2.gz VUXLSWLCEFPMKD-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409265480 1073207952 /nfs/dbraw/zinc/20/79/52/1073207952.db2.gz VCNATMMCBUMVGR-QRVIBDJDSA-N 0 0 543.497 7.034 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409265477 1073207961 /nfs/dbraw/zinc/20/79/61/1073207961.db2.gz VCETXOIZIVRUHT-RWPZCVJISA-N 0 0 631.711 5.750 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409264064 1073213996 /nfs/dbraw/zinc/21/39/96/1073213996.db2.gz JMBWDHIFPDRWAQ-FBHDLOMBSA-N 0 0 533.002 5.500 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S ZINC000409264067 1073214045 /nfs/dbraw/zinc/21/40/45/1073214045.db2.gz JMKAWPCQQKVCHU-VOMLJKFNSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000409264175 1073214796 /nfs/dbraw/zinc/21/47/96/1073214796.db2.gz PNOJIVFDFGQYMJ-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409263793 1073215863 /nfs/dbraw/zinc/21/58/63/1073215863.db2.gz OHLJEJJWKIFKMQ-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409263673 1073217104 /nfs/dbraw/zinc/21/71/04/1073217104.db2.gz NPJCCSPQWBPYEE-UFAQQFSPSA-N 0 0 518.660 5.984 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000409263350 1073218226 /nfs/dbraw/zinc/21/82/26/1073218226.db2.gz ITALPTPOCHDFKD-KSEXSDGBSA-N 0 0 539.034 5.488 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1C ZINC000409263264 1073219297 /nfs/dbraw/zinc/21/92/97/1073219297.db2.gz KGXFWYJITKGUJX-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1 ZINC000409262749 1073220032 /nfs/dbraw/zinc/22/00/32/1073220032.db2.gz GWORDGUBCCQBAL-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S ZINC000409262423 1073222610 /nfs/dbraw/zinc/22/26/10/1073222610.db2.gz DKHRKKRXJZNYMK-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409262133 1073222718 /nfs/dbraw/zinc/22/27/18/1073222718.db2.gz FJWLTWNFKLCOPP-NDENLUEZSA-N 0 0 518.538 5.717 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409262201 1073223149 /nfs/dbraw/zinc/22/31/49/1073223149.db2.gz FZHSEJUNYQTETP-ITYLOYPMSA-N 0 0 532.687 5.224 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409261945 1073224943 /nfs/dbraw/zinc/22/49/43/1073224943.db2.gz GFAQFGCVZKCCEI-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c(C)c1 ZINC000409261436 1073226901 /nfs/dbraw/zinc/22/69/01/1073226901.db2.gz BVFDXBBXPIHLSH-QFEZKATASA-N 0 0 537.106 6.997 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409261416 1073226947 /nfs/dbraw/zinc/22/69/47/1073226947.db2.gz BWVVLXWBSXSNPP-XKZIYDEJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409261475 1073227315 /nfs/dbraw/zinc/22/73/15/1073227315.db2.gz DDQCMZWUGWRZDY-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409261329 1073228077 /nfs/dbraw/zinc/22/80/77/1073228077.db2.gz ACYBHJXQJRSSCV-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)cc1C ZINC000409261000 1073229598 /nfs/dbraw/zinc/22/95/98/1073229598.db2.gz ZPZXEOBLQLVSMH-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260646 1073233340 /nfs/dbraw/zinc/23/33/40/1073233340.db2.gz TZGIRVYPJMWPQJ-UHFFFAOYSA-N 0 0 668.544 7.066 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409259809 1073236978 /nfs/dbraw/zinc/23/69/78/1073236978.db2.gz FVMJXWKSGWEKGQ-UHFFFAOYSA-N 0 0 644.909 7.012 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409260072 1073237092 /nfs/dbraw/zinc/23/70/92/1073237092.db2.gz KIMDVMXOVCQSGC-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)SC2=S)cc1 ZINC000409259756 1073238324 /nfs/dbraw/zinc/23/83/24/1073238324.db2.gz DVNDKPZSADEHNZ-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409259562 1073238999 /nfs/dbraw/zinc/23/89/99/1073238999.db2.gz ASSIYZHOTXIJOO-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1 ZINC000409258986 1073242799 /nfs/dbraw/zinc/24/27/99/1073242799.db2.gz WUQDGTLMHKZUIC-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409258762 1073244268 /nfs/dbraw/zinc/24/42/68/1073244268.db2.gz VGYUAVJDGNCBLW-MGKUZBKYSA-N 0 0 537.106 6.937 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1 ZINC000409257632 1073249993 /nfs/dbraw/zinc/24/99/93/1073249993.db2.gz SXZGORGCWPRHRG-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN O=C(COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409257685 1073250465 /nfs/dbraw/zinc/25/04/65/1073250465.db2.gz RUROCTZTSRNVAU-UHFFFAOYSA-N 0 0 709.778 7.466 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409257557 1073251350 /nfs/dbraw/zinc/25/13/50/1073251350.db2.gz SWTUDWUFVXHALL-UHFFFAOYSA-N 0 0 707.908 6.554 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1Cl ZINC000409272679 1073252984 /nfs/dbraw/zinc/25/29/84/1073252984.db2.gz RMTMEUXFXBVRJA-IWIPYMOSSA-N 0 0 523.079 6.110 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000409272558 1073254171 /nfs/dbraw/zinc/25/41/71/1073254171.db2.gz ZYCOTGUHMXKLAJ-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409272043 1073259646 /nfs/dbraw/zinc/25/96/46/1073259646.db2.gz NXBYQLIWOKMPFG-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S ZINC000409271801 1073260033 /nfs/dbraw/zinc/26/00/33/1073260033.db2.gz NGKHYBNYZYDLGM-NQRZERFFSA-N 0 0 542.604 6.685 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409270933 1073266478 /nfs/dbraw/zinc/26/64/78/1073266478.db2.gz SAUHSYVFEPTOOY-ZBKNUEDVSA-N 0 0 519.431 6.005 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409270818 1073266799 /nfs/dbraw/zinc/26/67/99/1073266799.db2.gz HZYNYGVELDBQNZ-DSDJNCIMSA-N 0 0 533.071 5.055 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1 ZINC000409270626 1073268444 /nfs/dbraw/zinc/26/84/44/1073268444.db2.gz GKFNSBXSVHBSDC-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409270610 1073268461 /nfs/dbraw/zinc/26/84/61/1073268461.db2.gz GFNDAEZIMKBENQ-UHFFFAOYSA-N 0 0 687.490 6.209 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409270725 1073269297 /nfs/dbraw/zinc/26/92/97/1073269297.db2.gz HPVGCVRISYXQIJ-ORQKMDSUSA-N 0 0 526.680 5.045 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409270171 1073271410 /nfs/dbraw/zinc/27/14/10/1073271410.db2.gz CTKIXTKYAHSUKA-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409270096 1073272614 /nfs/dbraw/zinc/27/26/14/1073272614.db2.gz CBUKTSIPTIILTK-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000409269849 1073274469 /nfs/dbraw/zinc/27/44/69/1073274469.db2.gz ACAGMCKTFVPRJD-ODLFYWEKSA-N 0 0 511.452 5.249 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409269762 1073274911 /nfs/dbraw/zinc/27/49/11/1073274911.db2.gz DKUJPORDUAXQQM-KSEXSDGBSA-N 0 0 528.461 6.693 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409269376 1073277409 /nfs/dbraw/zinc/27/74/09/1073277409.db2.gz IDRCKEPYQXFWMS-OCKHKDLRSA-N 0 0 511.452 5.629 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409268801 1073282441 /nfs/dbraw/zinc/28/24/41/1073282441.db2.gz AQZZKKNVYKHBTD-NHDPSOOVSA-N 0 0 516.978 6.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409268385 1073285189 /nfs/dbraw/zinc/28/51/89/1073285189.db2.gz SQYCBSNOVBBMBE-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409268145 1073285217 /nfs/dbraw/zinc/28/52/17/1073285217.db2.gz QMSYGEKAHWZLGH-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409268029 1073286684 /nfs/dbraw/zinc/28/66/84/1073286684.db2.gz XUOJJFRLKLNJSK-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409267660 1073289167 /nfs/dbraw/zinc/28/91/67/1073289167.db2.gz WTIBWIPCQKKSCM-MTJSOVHGSA-N 0 0 515.012 5.361 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409267333 1073290312 /nfs/dbraw/zinc/29/03/12/1073290312.db2.gz SZYNJRLHCLOBES-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409274750 1073307536 /nfs/dbraw/zinc/30/75/36/1073307536.db2.gz XIGRUPIBZTWXMS-JFLMPSFJSA-N 0 0 580.106 6.449 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409274324 1073310716 /nfs/dbraw/zinc/31/07/16/1073310716.db2.gz VVUSXHIJQKMYRZ-IUXPMGMMSA-N 0 0 573.694 5.606 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409274292 1073312022 /nfs/dbraw/zinc/31/20/22/1073312022.db2.gz OONKCNGXPRPKOD-JJFYIABZSA-N 0 0 518.944 6.686 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409273610 1073318159 /nfs/dbraw/zinc/31/81/59/1073318159.db2.gz ZLPXKYOYGQNBLS-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409273466 1073319358 /nfs/dbraw/zinc/31/93/58/1073319358.db2.gz YGRWWMCBMXBRDX-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409276332 1073331323 /nfs/dbraw/zinc/33/13/23/1073331323.db2.gz PTNBHWNJUOUSEJ-KSEXSDGBSA-N 0 0 528.461 6.693 40 10 KKCBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1Br ZINC000100380117 193910212 /nfs/dbraw/zinc/91/02/12/193910212.db2.gz LTXXRRPEMRQAFG-UHFFFAOYSA-N 0 0 567.509 6.629 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ncccc1C ZINC000224502742 193949641 /nfs/dbraw/zinc/94/96/41/193949641.db2.gz RZKZGZMFJFDXGH-RPWUZVMVSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224503047 193949883 /nfs/dbraw/zinc/94/98/83/193949883.db2.gz DLBMAHSXSPGNSA-DQEYMECFSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225530525 193965194 /nfs/dbraw/zinc/96/51/94/193965194.db2.gz LCTNZNPZZGLFMO-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225531106 193965900 /nfs/dbraw/zinc/96/59/00/193965900.db2.gz ZVSIRSAWHVABHI-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1F ZINC000409050584 195500199 /nfs/dbraw/zinc/50/01/99/195500199.db2.gz XGQFZHIKLNYKDY-VGOFMYFVSA-N 0 0 585.298 6.677 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409051904 195503386 /nfs/dbraw/zinc/50/33/86/195503386.db2.gz ORIXLQJYETXDMP-QRVIBDJDSA-N 0 0 558.494 6.886 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409230841 195505382 /nfs/dbraw/zinc/50/53/82/195505382.db2.gz GGUNBDQYMTXYBC-AOBKZXEFSA-N 0 0 586.657 7.084 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409231584 195507521 /nfs/dbraw/zinc/50/75/21/195507521.db2.gz KBXHBVUMYPTBGR-ZVHZXABRSA-N 0 0 505.615 6.206 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409232318 195509455 /nfs/dbraw/zinc/50/94/55/195509455.db2.gz NWNUULZFQSUBQU-YVLHZVERSA-N 0 0 588.876 5.192 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409232755 195510709 /nfs/dbraw/zinc/51/07/09/195510709.db2.gz PLKVGVNMLPPRAJ-UCQKPKSFSA-N 0 0 559.496 6.815 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S)c1ccc(Cl)cc1 ZINC000409381815 195512897 /nfs/dbraw/zinc/51/28/97/195512897.db2.gz NSXQDFSVYHSXMA-WCSRMQSCSA-N 0 0 511.795 5.299 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000000654219 551513608 /nfs/dbraw/zinc/51/36/08/551513608.db2.gz UVJFRMLKUOLOQT-HAHDFKILSA-N 0 0 532.980 5.243 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000000718886 551535553 /nfs/dbraw/zinc/53/55/53/551535553.db2.gz ZMNPSEVWJBDGSK-NJYVYQBISA-N 0 0 525.866 5.054 40 10 KKCBRN O=C1C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000828132 551545497 /nfs/dbraw/zinc/54/54/97/551545497.db2.gz LDSDJBLIILURFC-UHFFFAOYSA-N 0 0 529.961 6.257 40 10 KKCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000906928 551569984 /nfs/dbraw/zinc/56/99/84/551569984.db2.gz FHVUMFMYQJRLJR-UHFFFAOYSA-N 0 0 519.007 6.967 40 10 KKCBRN O=C(CSc1ncc(-c2ccccc2)n1CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000000920504 551574260 /nfs/dbraw/zinc/57/42/60/551574260.db2.gz WZQBNHDKMGDHNV-UHFFFAOYSA-N 0 0 544.986 6.592 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000001410438 551664446 /nfs/dbraw/zinc/66/44/46/551664446.db2.gz CWUCPCHJZPZUGU-OYKKKHCWSA-N 0 0 521.664 5.285 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001850538 551715389 /nfs/dbraw/zinc/71/53/89/551715389.db2.gz YQYLKUUAIPGFOY-UDHMSBBDSA-N 0 0 591.708 5.883 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000001900443 551730612 /nfs/dbraw/zinc/73/06/12/551730612.db2.gz QEZKAOAWSFWAAY-TWJOJJKGSA-N 0 0 558.447 6.637 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002164034 551781588 /nfs/dbraw/zinc/78/15/88/551781588.db2.gz VYGVKYWGBJXRBH-GONGWJOBSA-N 0 0 591.733 5.758 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000002590044 552132076 /nfs/dbraw/zinc/13/20/76/552132076.db2.gz YABKFNNYPOYVOH-DYIKCSJPSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000002605602 552135982 /nfs/dbraw/zinc/13/59/82/552135982.db2.gz DFFWJZSCXOUYIE-ILJQZKEFSA-N 0 0 560.581 5.648 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000003035947 552271328 /nfs/dbraw/zinc/27/13/28/552271328.db2.gz GVKIIOSZDRLRPI-CIAFOILYSA-N 0 0 516.427 6.627 40 10 KKCBRN Nc1nn2c([nH]c(=O)cc2C(F)(F)F)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000004262750 552454406 /nfs/dbraw/zinc/45/44/06/552454406.db2.gz DOPRIURNESJARK-GHVJWSGMSA-N 0 0 558.938 5.739 40 10 KKCBRN CC(=O)OC(OC(C)=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O ZINC000004265569 552454647 /nfs/dbraw/zinc/45/46/47/552454647.db2.gz SIQBVMGHZKGLHV-UHFFFAOYSA-N 0 0 521.092 5.109 40 10 KKCBRN CCNc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(NCC)c5ccccc45)c(OC)c3)cc2OC)c2ccccc12 ZINC000004523139 552462819 /nfs/dbraw/zinc/46/28/19/552462819.db2.gz YJLOGHHCCZQTBR-CHQNLTHESA-N 0 0 608.746 11.372 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c3sc(-c4ccc5c(c4Cl)C(=O)c4ccccc4C5=O)nc3ccc21 ZINC000004792034 552484983 /nfs/dbraw/zinc/48/49/83/552484983.db2.gz AQTZNPORYDGPDI-UHFFFAOYSA-N 0 0 505.938 6.168 40 10 KKCBRN O=S(=O)(Nc1cc(N2CCCCC2)c(NS(=O)(=O)c2ccccc2)cc1N1CCCCC1)c1ccccc1 ZINC000005009009 552491878 /nfs/dbraw/zinc/49/18/78/552491878.db2.gz ROXQQPHMWNHEKR-UHFFFAOYSA-N 0 0 554.738 5.269 40 10 KKCBRN O=C1c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2C(=O)[C@H]2[C@@H](c3ccccc3)c3ccccc3[C@@H](c3ccccc3)[C@H]12 ZINC000005203207 552494701 /nfs/dbraw/zinc/49/47/01/552494701.db2.gz QGZNJDOMXWNBIH-XALLHHPVSA-N 0 0 616.760 10.763 40 10 KKCBRN COc1ccc(NN=C2C(=O)N(c3ccc(Br)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000005639581 552505782 /nfs/dbraw/zinc/50/57/82/552505782.db2.gz QSZRTMPUFJZNHU-CYYJNZCTSA-N 0 0 539.411 6.258 40 10 KKCBRN CC[C@@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134529 552537973 /nfs/dbraw/zinc/53/79/73/552537973.db2.gz XMGDKMAHOQSAMV-GPNASLBKSA-N 0 0 582.749 5.471 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(Br)cc2)C[C@@H](c2cccc3ccccc32)N1 ZINC000008653247 553108012 /nfs/dbraw/zinc/10/80/12/553108012.db2.gz ZHDOJHOAODTAQY-LJAQVGFWSA-N 0 0 557.447 8.055 40 10 KKCBRN CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008685827 553114841 /nfs/dbraw/zinc/11/48/41/553114841.db2.gz HHOHFEANPUYMOQ-UHFFFAOYSA-N 0 0 516.664 5.005 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc2ccccc21 ZINC000008815565 553151687 /nfs/dbraw/zinc/15/16/87/553151687.db2.gz CKLVXYYAHYPJMB-OQKWZONESA-N 0 0 508.404 8.878 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000008819300 553154014 /nfs/dbraw/zinc/15/40/14/553154014.db2.gz JRBMTYOYKUPBQJ-YVLHZVERSA-N 0 0 500.951 5.597 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)c1 ZINC000008819207 553154023 /nfs/dbraw/zinc/15/40/23/553154023.db2.gz JNWGKMJEEPSWNZ-JCMHNJIXSA-N 0 0 523.705 5.671 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)ccc1O ZINC000008819996 553154965 /nfs/dbraw/zinc/15/49/65/553154965.db2.gz DRBRHXDGVIITHO-JAIQZWGSSA-N 0 0 505.017 5.175 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000008820107 553155118 /nfs/dbraw/zinc/15/51/18/553155118.db2.gz DSPGYYIJPOVZND-UCQKPKSFSA-N 0 0 526.724 5.320 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1C(F)(F)F ZINC000008820144 553155149 /nfs/dbraw/zinc/15/51/49/553155149.db2.gz YOKGTMVXLSDYBW-RGEXLXHISA-N 0 0 513.006 6.759 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(c2ccccc2)CC1 ZINC000008820182 553155406 /nfs/dbraw/zinc/15/54/06/553155406.db2.gz NHIPYQRSHWACFF-NMWGTECJSA-N 0 0 514.116 5.450 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000008820347 553155422 /nfs/dbraw/zinc/15/54/22/553155422.db2.gz HPRYACLNZUDYDF-KGENOOAVSA-N 0 0 513.065 6.744 40 10 KKCBRN CCN(CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1 ZINC000008820853 553155517 /nfs/dbraw/zinc/15/55/17/553155517.db2.gz CBCWDPHWOSQMAG-ONUIUJJFSA-N 0 0 522.070 6.856 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000009136526 553213454 /nfs/dbraw/zinc/21/34/54/553213454.db2.gz RDJURWQAOBEAPS-BTKQHFLTSA-N 0 0 506.628 5.517 40 10 KKCBRN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158554 553215036 /nfs/dbraw/zinc/21/50/36/553215036.db2.gz BGJBHNMVORQADH-FSEMWLHASA-N 0 0 527.731 5.305 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000009188740 553218031 /nfs/dbraw/zinc/21/80/31/553218031.db2.gz XINIJHHDOZJTHP-IWIPYMOSSA-N 0 0 504.633 5.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000009188571 553218049 /nfs/dbraw/zinc/21/80/49/553218049.db2.gz JVEBPONMFSDVQR-QRVIBDJDSA-N 0 0 515.578 7.007 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009188904 553218221 /nfs/dbraw/zinc/21/82/21/553218221.db2.gz DFFSQUMKUMEWAW-USHMODERSA-N 0 0 513.663 5.371 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000009232588 553223874 /nfs/dbraw/zinc/22/38/74/553223874.db2.gz MSPIUBBXVNZFII-LFVJCYFKSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)SC2=S)cc1 ZINC000009310394 553238898 /nfs/dbraw/zinc/23/88/98/553238898.db2.gz VBSPSCOSDJKSFF-BUVRLJJBSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1cccc(OC)c1 ZINC000009434595 553263961 /nfs/dbraw/zinc/26/39/61/553263961.db2.gz WQBUZLWEZFJTJA-ONUIUJJFSA-N 0 0 521.660 5.953 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1[C@@H](C)CC ZINC000009553929 553278771 /nfs/dbraw/zinc/27/87/71/553278771.db2.gz MIWSYHXYVBSOEZ-UPCXBELHSA-N 0 0 506.628 5.696 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000009906258 553315472 /nfs/dbraw/zinc/31/54/72/553315472.db2.gz ZMQINXOXSHNGTP-GNBJCERTSA-N 0 0 510.587 5.479 40 10 KKCBRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000010113247 553328939 /nfs/dbraw/zinc/32/89/39/553328939.db2.gz CMQUSHPXMIWVHV-UHFFFAOYSA-N 0 0 509.697 5.154 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012275520 553356136 /nfs/dbraw/zinc/35/61/36/553356136.db2.gz TUAYGDYEFTWPRP-HMAPJEAMSA-N 0 0 509.077 6.761 40 10 KKCBRN CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025155 553435490 /nfs/dbraw/zinc/43/54/90/553435490.db2.gz BNAWREDZTOGTQU-MUUNZHRXSA-N 0 0 501.627 5.126 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000013647659 553480215 /nfs/dbraw/zinc/48/02/15/553480215.db2.gz HMNSANQMTRQMCX-GCVMXNKRSA-N 0 0 504.681 5.139 40 10 KKCBRN CCN(c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013670317 553481680 /nfs/dbraw/zinc/48/16/80/553481680.db2.gz JGJQDHLOHFAFQZ-UHFFFAOYSA-N 0 0 509.697 5.154 40 10 KKCBRN Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000013671047 553481978 /nfs/dbraw/zinc/48/19/78/553481978.db2.gz YKWCJQJJZLEQMA-UHFFFAOYSA-N 0 0 505.684 5.190 40 10 KKCBRN Cc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013676075 553482802 /nfs/dbraw/zinc/48/28/02/553482802.db2.gz SHEVPJMBWBBPRY-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000013914942 553495541 /nfs/dbraw/zinc/49/55/41/553495541.db2.gz CKCISQLVWAMAFT-UDWIEESQSA-N 0 0 516.222 7.141 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000015012144 553525557 /nfs/dbraw/zinc/52/55/57/553525557.db2.gz VDCYYQIXLJELLM-LFVJCYFKSA-N 0 0 510.681 5.945 40 10 KKCBRN Cc1ccc(Nc2cc(/C=C(\c3ccccc3)N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000015080145 553527629 /nfs/dbraw/zinc/52/76/29/553527629.db2.gz QIMKKNSNELXTPD-XHLNEMQHSA-N 0 0 511.625 8.075 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1OC ZINC000015231220 553530100 /nfs/dbraw/zinc/53/01/00/553530100.db2.gz DPNZGGKMUJYGFE-OQKWZONESA-N 0 0 502.998 5.665 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000016216675 553556835 /nfs/dbraw/zinc/55/68/35/553556835.db2.gz KVOXAXQCWOKFMM-QRVIBDJDSA-N 0 0 516.471 6.982 40 10 KKCBRN COc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016217378 553557018 /nfs/dbraw/zinc/55/70/18/553557018.db2.gz GITATTWZLLDUPQ-NVQSTNCTSA-N 0 0 507.575 8.612 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000016227612 553557502 /nfs/dbraw/zinc/55/75/02/553557502.db2.gz XIRLTLUDBLIVSD-FMCGGJTJSA-N 0 0 516.471 6.982 40 10 KKCBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1Br ZINC000016678586 553571849 /nfs/dbraw/zinc/57/18/49/553571849.db2.gz RCAWTFIQQWAFET-UHFFFAOYSA-N 0 0 508.416 6.755 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 ZINC000016678621 553571874 /nfs/dbraw/zinc/57/18/74/553571874.db2.gz YFMKNCPIGXGQDQ-UHFFFAOYSA-N 0 0 513.450 6.775 40 10 KKCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(/C=C(\c3ccccc3)[S@@](=O)Cc3ccccc3)C2=O)cc1 ZINC000016958427 553585444 /nfs/dbraw/zinc/58/54/44/553585444.db2.gz LPMKRNYJQBZTKX-DJNOHYCRSA-N 0 0 518.685 5.794 40 10 KKCBRN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000070453927 553594045 /nfs/dbraw/zinc/59/40/45/553594045.db2.gz DTXHMFBBQYYMRJ-UHFFFAOYSA-N 0 0 501.391 6.459 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000083293639 553676407 /nfs/dbraw/zinc/67/64/07/553676407.db2.gz LNUHMQAEKFQUEZ-NVMNQCDNSA-N 0 0 502.872 6.846 40 10 KKCBRN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O ZINC000095670502 553707067 /nfs/dbraw/zinc/70/70/67/553707067.db2.gz VTGOEJALMFECDQ-ZSQOVEATSA-N 0 0 689.556 8.038 40 10 KKCBRN COc1ccccc1NC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O ZINC000095670503 553707072 /nfs/dbraw/zinc/70/70/72/553707072.db2.gz VTGOEJALMFECDQ-RFHYQQDZSA-N 0 0 689.556 8.038 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1[C@H](C)CC ZINC000026680980 553819963 /nfs/dbraw/zinc/81/99/63/553819963.db2.gz MIWSYHXYVBSOEZ-PPZHTYSISA-N 0 0 506.628 5.696 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000026642690 553820101 /nfs/dbraw/zinc/82/01/01/553820101.db2.gz IICDGXMPPCTMDJ-IHRWIMNOSA-N 0 0 506.628 5.435 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000027836656 553836788 /nfs/dbraw/zinc/83/67/88/553836788.db2.gz RJMLPWPILCPLBK-HHUYIJHCSA-N 0 0 513.019 5.534 40 10 KKCBRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028007115 553837373 /nfs/dbraw/zinc/83/73/73/553837373.db2.gz VHVPQPYKVGDNFY-VKHSVWCGSA-N 0 0 705.647 5.577 40 10 in-vitro KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097957724 553847752 /nfs/dbraw/zinc/84/77/52/553847752.db2.gz DRPDSXADDXRZBH-JEHUDBGOSA-N 0 0 540.645 5.827 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097957795 553848398 /nfs/dbraw/zinc/84/83/98/553848398.db2.gz JSESQVNQUGTKMV-MBXMAFHSSA-N 0 0 590.443 5.095 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000097957816 553848453 /nfs/dbraw/zinc/84/84/53/553848453.db2.gz WZFRSCBZIQMCKZ-ZPTCNBJASA-N 0 0 632.524 6.084 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000097957935 553849810 /nfs/dbraw/zinc/84/98/10/553849810.db2.gz HVLJJOOZXVKPJQ-ZHSAXHDMSA-N 0 0 591.487 5.891 40 10 KKCBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cn(CCOc5c(C)cccc5C)c5ccccc45)C3=N)S2)cc1 ZINC000097958899 553858742 /nfs/dbraw/zinc/85/87/42/553858742.db2.gz IZDFQUNHMDAYDN-YBEOAOCTSA-N 0 0 533.657 6.313 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=N)S1 ZINC000097958974 553859346 /nfs/dbraw/zinc/85/93/46/553859346.db2.gz KEJMIZSEQNTIJG-NFFSQDDPSA-N 0 0 560.417 5.298 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000097959089 553860773 /nfs/dbraw/zinc/86/07/73/553860773.db2.gz RBZLPYAMXOJXBS-JFOUQRKPSA-N 0 0 531.407 5.595 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097959427 553863637 /nfs/dbraw/zinc/86/36/37/553863637.db2.gz QVBDIHHRVHFTCZ-KZRJEWNFSA-N 0 0 565.482 6.947 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000032124557 553865632 /nfs/dbraw/zinc/86/56/32/553865632.db2.gz RKYXBJHUWCWFGN-IMRQLAEWSA-N 0 0 500.595 5.769 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC ZINC000097961884 553881321 /nfs/dbraw/zinc/88/13/21/553881321.db2.gz UMBWZXZNFQFTOQ-RIQUDLFNSA-N 0 0 543.045 5.480 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cn(-c5ccccc5)nc4-c4cccs4)C3=N)S2)c1 ZINC000097964283 553896870 /nfs/dbraw/zinc/89/68/70/553896870.db2.gz DMPNHFGJMOTILB-OHMBLGONSA-N 0 0 524.631 5.607 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4c(-c5ccccc5)nc5sc(C6CCCCC6)nn45)C3=N)S2)c1 ZINC000097964286 553896926 /nfs/dbraw/zinc/89/69/26/553896926.db2.gz DDPIZFHHDGDJJP-NORRPQMOSA-N 0 0 581.727 6.512 40 10 KKCBRN C/C=C/c1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000097964304 553897240 /nfs/dbraw/zinc/89/72/40/553897240.db2.gz SPQXQYNCMTYHGW-XZYLDAEBSA-N 0 0 544.555 5.676 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000097964374 553897800 /nfs/dbraw/zinc/89/78/00/553897800.db2.gz UBSLVGVNEUDMDC-XWCAUFEOSA-N 0 0 536.513 6.260 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc2n1CCOc1ccc(Cl)cc1C ZINC000097964901 553901523 /nfs/dbraw/zinc/90/15/23/553901523.db2.gz WVXAZHFGKFWNHJ-FAYTZBRGSA-N 0 0 584.101 6.689 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 ZINC000097964903 553901543 /nfs/dbraw/zinc/90/15/43/553901543.db2.gz FJMSSFIQYKPVTI-ZKAUCRGDSA-N 0 0 552.700 7.024 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000097964940 553901962 /nfs/dbraw/zinc/90/19/62/553901962.db2.gz AQGWCKPJXOHTCU-QUYJARAHSA-N 0 0 562.673 5.393 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097964944 553901963 /nfs/dbraw/zinc/90/19/63/553901963.db2.gz VJYXPLQCPGWXPO-APRWVSAZSA-N 0 0 571.511 6.894 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000033617583 553964386 /nfs/dbraw/zinc/96/43/86/553964386.db2.gz FXWIXMDLVNCYDN-VEILYXNESA-N 0 0 511.668 7.219 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000097972368 553966864 /nfs/dbraw/zinc/96/68/64/553966864.db2.gz QFELPMNMGFNUIB-SHIIWXHXSA-N 0 0 726.693 6.715 40 10 KKCBRN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 ZINC000097979027 553975816 /nfs/dbraw/zinc/97/58/16/553975816.db2.gz XEKFXBOFQZLLEC-XAHDOWKMSA-N 0 0 549.587 5.553 40 10 KKCBRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)C1 ZINC000097979035 553975821 /nfs/dbraw/zinc/97/58/21/553975821.db2.gz PPXLGAXJRVCZBM-BULAKUBPSA-N 0 0 534.638 5.564 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983227 554007954 /nfs/dbraw/zinc/00/79/54/554007954.db2.gz BADOSCREKVTTDG-ZSFNUBSYSA-N 0 0 557.536 7.018 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983832 554012390 /nfs/dbraw/zinc/01/23/90/554012390.db2.gz MCJOCINLOZBLBP-YSRPANPLSA-N 0 0 608.743 6.000 40 10 KKCBRN O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000034856846 554021547 /nfs/dbraw/zinc/02/15/47/554021547.db2.gz OIKXIWOIMVEQNU-LGTVUFDESA-N 0 0 513.956 7.617 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccccc4)C3=O)cc2)cc1 ZINC000100031688 554186128 /nfs/dbraw/zinc/18/61/28/554186128.db2.gz POQCKDJVUWHGSN-MXEGIGMXSA-N 0 0 568.637 6.916 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)/C1=C(\NCCCN/C(=C1/C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000100077494 554205077 /nfs/dbraw/zinc/20/50/77/554205077.db2.gz ANWJIZFKDHUKCF-ZMYSONEWSA-N 0 0 626.855 7.825 40 10 KKCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1Br ZINC000100079521 554206055 /nfs/dbraw/zinc/20/60/55/554206055.db2.gz HKAGVYJZCIGUBY-UHFFFAOYSA-N 0 0 586.552 5.268 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000036612582 554226103 /nfs/dbraw/zinc/22/61/03/554226103.db2.gz YBUXKSUCZFTNOU-XYGWBWBKSA-N 0 0 527.577 5.004 40 10 KKCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 ZINC000100148006 554230698 /nfs/dbraw/zinc/23/06/98/554230698.db2.gz BKEUIFLXEROHCL-MHWRWJLKSA-N 0 0 579.632 7.148 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000037171036 554230748 /nfs/dbraw/zinc/23/07/48/554230748.db2.gz UIZQLEFJXUCQOT-VHSZZVNMSA-N 0 0 504.424 7.066 40 10 KKCBRN CCCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000100165909 554236457 /nfs/dbraw/zinc/23/64/57/554236457.db2.gz HCARQGIQIAQNGA-MOHJPFBDSA-N 0 0 552.549 6.232 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CN(C)CN3C(=O)S/C(=C/c4ccc(N(CC)CC)cc4)C3=O)C2=O)cc1 ZINC000100189142 554243896 /nfs/dbraw/zinc/24/38/96/554243896.db2.gz JLIQEDCLLGNLGC-BFNWXZRRSA-N 0 0 607.802 5.999 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000100198472 554246426 /nfs/dbraw/zinc/24/64/26/554246426.db2.gz HOWDQRZQEHWYSK-IUXPMGMMSA-N 0 0 533.296 6.565 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100231469 554256952 /nfs/dbraw/zinc/25/69/52/554256952.db2.gz ABBGFGRKFUFWJY-FSJBWODESA-N 0 0 609.394 8.135 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100231429 554256986 /nfs/dbraw/zinc/25/69/86/554256986.db2.gz XQPMYYMQSCLBFY-NVMNQCDNSA-N 0 0 547.323 6.955 40 10 KKCBRN Cc1nnc(N2C=NN(c3nnc(C)c(/C=C/c4ccc(N(C)C)cc4)n3)CC2)nc1/C=C/c1ccc(Cl)cc1 ZINC000100253175 554263489 /nfs/dbraw/zinc/26/34/89/554263489.db2.gz UKKCPIIYLQLYNL-KAVGSWPWSA-N 0 0 553.074 5.004 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccc(OCCOc4ccc(Br)cc4)c3)C2=N)S1 ZINC000100272752 554270330 /nfs/dbraw/zinc/27/03/30/554270330.db2.gz IPBUHTOPNUEJAQ-UQIALHJZSA-N 0 0 527.444 5.716 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000100273060 554270653 /nfs/dbraw/zinc/27/06/53/554270653.db2.gz FYODFXHWUJHQLL-LNDJTLDTSA-N 0 0 532.544 5.341 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000100286206 554280219 /nfs/dbraw/zinc/28/02/19/554280219.db2.gz ZIVIMSHYROSRCF-MCEYFSPLSA-N 0 0 533.378 6.224 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000040006334 554282189 /nfs/dbraw/zinc/28/21/89/554282189.db2.gz NQHOBBOKNWXZMQ-QRVIBDJDSA-N 0 0 522.519 7.505 40 10 KKCBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)o1 ZINC000041076322 554292049 /nfs/dbraw/zinc/29/20/49/554292049.db2.gz RQTVQCSSTXHWFK-OHXXNLLSSA-N 0 0 515.595 5.999 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 ZINC000041077626 554292970 /nfs/dbraw/zinc/29/29/70/554292970.db2.gz JHZXLKJGNHHDBA-QNGOZBTKSA-N 0 0 508.061 5.353 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)C3=N)S2)c1 ZINC000041108401 554295131 /nfs/dbraw/zinc/29/51/31/554295131.db2.gz NITFZPFNULQFPF-JRRXTTBFSA-N 0 0 501.524 5.170 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000100319962 554304559 /nfs/dbraw/zinc/30/45/59/554304559.db2.gz IRVBNADFPFOXRU-MFKUBSTISA-N 0 0 574.418 6.838 40 10 KKCBRN CC(=O)c1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000100332823 554315408 /nfs/dbraw/zinc/31/54/08/554315408.db2.gz OLMXIJAKOLZLKX-XIFFEERXSA-N 0 0 550.703 6.202 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)SC2=S)cc1 ZINC000100341640 554326337 /nfs/dbraw/zinc/32/63/37/554326337.db2.gz FPXBVLJSLCHOHS-BUVRLJJBSA-N 0 0 615.527 7.140 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000058822210 554365332 /nfs/dbraw/zinc/36/53/32/554365332.db2.gz XZDVXHFTIIBVSF-HYARGMPZSA-N 0 0 500.016 6.863 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000058822264 554365350 /nfs/dbraw/zinc/36/53/50/554365350.db2.gz OPUYMPOWWKMXOE-OEAKJJBVSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000058822253 554365370 /nfs/dbraw/zinc/36/53/70/554365370.db2.gz HVUHIBPDCXRHAI-KGENOOAVSA-N 0 0 512.450 6.443 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058845768 554365966 /nfs/dbraw/zinc/36/59/66/554365966.db2.gz ONDZAOSIWJPNKR-FYQCMVGJSA-N 0 0 506.624 5.648 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846269 554366018 /nfs/dbraw/zinc/36/60/18/554366018.db2.gz MGMIRARPZMQLKX-PFPZSTESSA-N 0 0 520.651 5.957 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058846443 554366437 /nfs/dbraw/zinc/36/64/37/554366437.db2.gz AZVCSQUJTDWPJV-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846586 554366450 /nfs/dbraw/zinc/36/64/50/554366450.db2.gz OJFVCOUNUJUGKL-NHWZYIIXSA-N 0 0 518.679 6.728 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847395 554366625 /nfs/dbraw/zinc/36/66/25/554366625.db2.gz MLDAXIALSBRWCW-GLDPYIMESA-N 0 0 505.854 7.274 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058847155 554366773 /nfs/dbraw/zinc/36/67/73/554366773.db2.gz VSHBVYNWCRGKMQ-LZCXECNNSA-N 0 0 510.587 5.479 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847236 554366797 /nfs/dbraw/zinc/36/67/97/554366797.db2.gz NMMAAZAOPDRXTP-XLNZFTOWSA-N 0 0 515.860 6.730 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847783 554367055 /nfs/dbraw/zinc/36/70/55/554367055.db2.gz CIWNVYVBXFVVCX-ATLLOTDBSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848047 554367471 /nfs/dbraw/zinc/36/74/71/554367471.db2.gz MYPYMAXZVRVWLB-FYQCMVGJSA-N 0 0 511.043 6.293 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848163 554367715 /nfs/dbraw/zinc/36/77/15/554367715.db2.gz GSVTXVUKJNPOAG-UNVFRBQDSA-N 0 0 511.043 6.293 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848231 554367749 /nfs/dbraw/zinc/36/77/49/554367749.db2.gz BOLGHJQMEWGWAO-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848234 554367775 /nfs/dbraw/zinc/36/77/75/554367775.db2.gz OTQQYWATPPKWOE-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1 ZINC000100394055 554367916 /nfs/dbraw/zinc/36/79/16/554367916.db2.gz PFFQLCFVWYILEA-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)OC)cc2)N3)cc1 ZINC000058848648 554368110 /nfs/dbraw/zinc/36/81/10/554368110.db2.gz WZCHHSNATHFBRC-CLCZQPDDSA-N 0 0 504.608 5.499 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058848916 554368271 /nfs/dbraw/zinc/36/82/71/554368271.db2.gz NIWZFLSJNZTXND-YYULODDRSA-N 0 0 501.435 6.629 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)ccc1OC)N2 ZINC000058849125 554368388 /nfs/dbraw/zinc/36/83/88/554368388.db2.gz UKMICMQVCXXCBB-GTNJKRJXSA-N 0 0 506.624 5.730 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058849082 554368446 /nfs/dbraw/zinc/36/84/46/554368446.db2.gz SZRBEUXTGIOTIL-ANSQWYIGSA-N 0 0 515.462 7.019 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058849748 554369397 /nfs/dbraw/zinc/36/93/97/554369397.db2.gz MJWDXFOSANIBON-ANSQWYIGSA-N 0 0 515.462 6.938 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849800 554369452 /nfs/dbraw/zinc/36/94/52/554369452.db2.gz XLKFRUNJHSOESC-OREGWCPLSA-N 0 0 504.608 5.418 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000058850272 554369745 /nfs/dbraw/zinc/36/97/45/554369745.db2.gz SSCSGVGJBUKCEA-DFIYOIEZSA-N 0 0 511.441 6.085 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058850092 554369752 /nfs/dbraw/zinc/36/97/52/554369752.db2.gz VJEKQAGEBDXSPO-FVBCXUTKSA-N 0 0 512.631 6.484 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000058865818 554370537 /nfs/dbraw/zinc/37/05/37/554370537.db2.gz IRENYLHSUJJZQI-UHFFFAOYSA-N 0 0 502.317 5.080 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000059138991 554382809 /nfs/dbraw/zinc/38/28/09/554382809.db2.gz HOHBXGLZBSFGLL-TURZUDJPSA-N 0 0 503.602 6.603 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000059139004 554382826 /nfs/dbraw/zinc/38/28/26/554382826.db2.gz AULUTPUCWIFHED-MWAVMZGNSA-N 0 0 525.608 7.139 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)c(C)c1 ZINC000059139101 554382976 /nfs/dbraw/zinc/38/29/76/554382976.db2.gz OIWYVHQQCBKWEM-NLRVBDNBSA-N 0 0 520.541 5.933 40 10 KKCBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)c1 ZINC000059139104 554382980 /nfs/dbraw/zinc/38/29/80/554382980.db2.gz DXZPVUSIBHUQQI-NLRVBDNBSA-N 0 0 520.541 5.933 40 10 KKCBRN S=C(c1cnc(N(c2ccccc2)c2ccccc2)s1)c1cnc(N(c2ccccc2)c2ccccc2)s1 ZINC000059186269 554384047 /nfs/dbraw/zinc/38/40/47/554384047.db2.gz DJJNNHXWAQKBEK-UHFFFAOYSA-N 0 0 546.746 9.306 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000100417531 554385160 /nfs/dbraw/zinc/38/51/60/554385160.db2.gz DSIKMTFKHGNECL-KEBDBYFISA-N 0 0 597.300 7.475 40 10 KKCBRN CCOc1ccc(C2=C/C(=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000059425798 554395160 /nfs/dbraw/zinc/39/51/60/554395160.db2.gz KFVIPRULVWJOIJ-IADYIPOJSA-N 0 0 509.605 8.191 40 10 KKCBRN Brc1cccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)c1 ZINC000059488305 554398193 /nfs/dbraw/zinc/39/81/93/554398193.db2.gz XQUZQILDZALFMR-QCWLDUFUSA-N 0 0 502.332 6.255 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000100477932 554401152 /nfs/dbraw/zinc/40/11/52/554401152.db2.gz HMDQBXVLCGVGIJ-CIAFOILYSA-N 0 0 545.411 6.481 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000059608946 554411873 /nfs/dbraw/zinc/41/18/73/554411873.db2.gz LZWSKIOEQOGDIJ-KSEXSDGBSA-N 0 0 579.368 8.045 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)SC2=S)cc1 ZINC000059609058 554411882 /nfs/dbraw/zinc/41/18/82/554411882.db2.gz CQNKRFHIYNIQFR-QRVIBDJDSA-N 0 0 555.475 6.646 40 10 KKCBRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 ZINC000059691163 554425162 /nfs/dbraw/zinc/42/51/62/554425162.db2.gz AIRAZBZOQSXQCZ-BMIAQULGSA-N 0 0 524.045 7.323 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000100927573 554524768 /nfs/dbraw/zinc/52/47/68/554524768.db2.gz RSSSKGJBNDPWAV-LGUFXXKBSA-N 0 0 612.114 8.115 40 10 KKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000100931056 554527199 /nfs/dbraw/zinc/52/71/99/554527199.db2.gz AEJIITNPNUARQU-KOEQRZSOSA-N 0 0 517.010 6.013 40 10 KKCBRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cnnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000067665103 554533199 /nfs/dbraw/zinc/53/31/99/554533199.db2.gz VRJGLVXBWFZNCZ-TUJWMRSMSA-N 0 0 705.647 5.577 40 10 in-vitro KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6c(C)cccc6C)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000100954115 554538349 /nfs/dbraw/zinc/53/83/49/554538349.db2.gz XAWKKIYJCPYKQB-TWCLOYOVSA-N 0 0 601.772 6.360 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000100958746 554541641 /nfs/dbraw/zinc/54/16/41/554541641.db2.gz YKDFXRYUJFTJFL-NXYYLBPMSA-N 0 0 613.780 5.620 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)SC2=S)cc1 ZINC000100967459 554543189 /nfs/dbraw/zinc/54/31/89/554543189.db2.gz ISDXFEITGLZYDO-UCQKPKSFSA-N 0 0 573.477 6.280 40 10 KKCBRN CN(C1=NC(=O)/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)S1)c1ccc(O)cc1 ZINC000100972285 554544214 /nfs/dbraw/zinc/54/42/14/554544214.db2.gz MXCKSZZLIZIHCB-AVQONUNLSA-N 0 0 530.653 6.855 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3csc4c3CCCC4)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100986984 554548605 /nfs/dbraw/zinc/54/86/05/554548605.db2.gz DTWJXDIPOGYEPG-CFRMEGHHSA-N 0 0 554.690 5.900 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000101002290 554552679 /nfs/dbraw/zinc/55/26/79/554552679.db2.gz SWTNYXJLWVIVPR-QJOMJCCJSA-N 0 0 537.504 6.274 40 10 KKCBRN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCC[C@H]3CC)C2=O)SC1=S ZINC000101002470 554552909 /nfs/dbraw/zinc/55/29/09/554552909.db2.gz SJHCQBUUCXLONO-VCFAFQNUSA-N 0 0 624.920 5.061 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101003497 554553349 /nfs/dbraw/zinc/55/33/49/554553349.db2.gz ZCPHJYNXHMISEB-BUVRLJJBSA-N 0 0 553.130 7.160 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)c1 ZINC000101002727 554553371 /nfs/dbraw/zinc/55/33/71/554553371.db2.gz GWTJZEROIHCAAY-STZFKDTASA-N 0 0 544.123 6.016 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1=O ZINC000101005252 554553519 /nfs/dbraw/zinc/55/35/19/554553519.db2.gz RIOGLDPWAMFQSZ-MOSHPQCFSA-N 0 0 530.096 5.626 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1OC ZINC000101005780 554553970 /nfs/dbraw/zinc/55/39/70/554553970.db2.gz DKMLPMZSOQFRPN-UQQQWYQISA-N 0 0 548.711 6.515 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 ZINC000101005969 554553977 /nfs/dbraw/zinc/55/39/77/554553977.db2.gz RVMSVTIGBBBQBK-JCMHNJIXSA-N 0 0 551.715 5.449 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101006453 554554200 /nfs/dbraw/zinc/55/42/00/554554200.db2.gz KAJGSHGUYDTHRB-HKWRFOASSA-N 0 0 550.487 6.000 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000101006595 554554415 /nfs/dbraw/zinc/55/44/15/554554415.db2.gz QXKZRMMWXHLFKP-XHPQRKPJSA-N 0 0 530.740 7.586 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1OC ZINC000101006872 554554617 /nfs/dbraw/zinc/55/46/17/554554617.db2.gz WORPEMUCVJKGMO-KQWNVCNZSA-N 0 0 553.731 6.228 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(I)c1 ZINC000101006991 554554753 /nfs/dbraw/zinc/55/47/53/554554753.db2.gz ZOVYBSAWFUWOIP-NDENLUEZSA-N 0 0 580.469 5.420 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000101007078 554554837 /nfs/dbraw/zinc/55/48/37/554554837.db2.gz KHLHQWVBWAYJOS-DIBXZPPDSA-N 0 0 544.698 6.410 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1Br ZINC000101007260 554555202 /nfs/dbraw/zinc/55/52/02/554555202.db2.gz VYCLPYYJACSEBH-RGEXLXHISA-N 0 0 523.905 6.503 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007511 554555421 /nfs/dbraw/zinc/55/54/21/554555421.db2.gz LZNBGLHBFLBSGH-LDADJPATSA-N 0 0 537.610 5.966 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101008281 554556556 /nfs/dbraw/zinc/55/65/56/554556556.db2.gz MPSVKYZVJUWVDU-DEDYPNTBSA-N 0 0 548.542 6.661 40 10 KKCBRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(-c3ccc(N(c4ccc(N)cc4)c4ccc(N)cc4)cc3)cc2)cc1 ZINC000101016654 554560429 /nfs/dbraw/zinc/56/04/29/554560429.db2.gz YROIXLFLYRDCBC-UHFFFAOYSA-N 0 0 548.694 8.622 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000101035950 554565513 /nfs/dbraw/zinc/56/55/13/554565513.db2.gz XXUMYQZDNRXEQL-HMAPJEAMSA-N 0 0 544.576 6.137 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101071309 554575460 /nfs/dbraw/zinc/57/54/60/554575460.db2.gz VBKDRVPWWJTYBC-MPFGFTFXSA-N 0 0 594.892 7.419 40 10 KKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2c(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cccc12 ZINC000101123009 554644084 /nfs/dbraw/zinc/64/40/84/554644084.db2.gz LDLTTXIZNNPMNK-XUIWWLCJSA-N 0 0 595.490 7.584 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1 ZINC000101524116 554794033 /nfs/dbraw/zinc/79/40/33/554794033.db2.gz KTBTYMGUZFYUSO-ANYBSYGZSA-N 0 0 603.675 6.422 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1C ZINC000101549782 554796413 /nfs/dbraw/zinc/79/64/13/554796413.db2.gz XVNWZGLJYQHUHL-FBHDLOMBSA-N 0 0 549.512 5.641 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000101575398 554798663 /nfs/dbraw/zinc/79/86/63/554798663.db2.gz FGKOVKPGZXPOKI-PXLXIMEGSA-N 0 0 547.995 5.349 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101598129 554803596 /nfs/dbraw/zinc/80/35/96/554803596.db2.gz JOQOPTGQLOFDFJ-ILJQZKEFSA-N 0 0 557.577 6.067 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101601989 554804323 /nfs/dbraw/zinc/80/43/23/554804323.db2.gz OGCQSQSXOXUTFV-PDESAOGPSA-N 0 0 572.630 6.694 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000101602951 554804466 /nfs/dbraw/zinc/80/44/66/554804466.db2.gz UEXZQWARLYKRAL-KGENOOAVSA-N 0 0 561.523 6.009 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S)c1ccccc1 ZINC000101743753 554834256 /nfs/dbraw/zinc/83/42/56/554834256.db2.gz CHJLYVUZRRKSHE-FYJGNVAPSA-N 0 0 559.894 6.228 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000101744916 554834502 /nfs/dbraw/zinc/83/45/02/554834502.db2.gz UVQMIWGBMLUMPL-CIAFOILYSA-N 0 0 594.339 6.881 40 10 KKCBRN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)C2CCCC2)C(Cl)(Cl)Cl)c(C)c1 ZINC000102295694 554907711 /nfs/dbraw/zinc/90/77/11/554907711.db2.gz CSOFNBXBYDLHKF-LCYJPPDJSA-N 0 0 526.921 7.008 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102550054 554961315 /nfs/dbraw/zinc/96/13/15/554961315.db2.gz HELUHNMSOLNLLK-CEUYOYMZSA-N 0 0 583.640 6.327 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102867051 555096721 /nfs/dbraw/zinc/09/67/21/555096721.db2.gz AWRHBMAARCLNFT-DYIKCSJPSA-N 0 0 564.012 6.804 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 ZINC000102888185 555120732 /nfs/dbraw/zinc/12/07/32/555120732.db2.gz OMDIOWPVCMVWEU-IDZRBWSNSA-N 0 0 563.575 7.330 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(OC(F)F)cc4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102939601 555168361 /nfs/dbraw/zinc/16/83/61/555168361.db2.gz NDUBOSVQUISYNW-CJFQQIECSA-N 0 0 612.746 6.216 40 10 KKCBRN CCCCCc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060535 555241782 /nfs/dbraw/zinc/24/17/82/555241782.db2.gz QDRHTFDQEJVLLQ-VIFXNLTHSA-N 0 0 576.737 7.016 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103114034 555287117 /nfs/dbraw/zinc/28/71/17/555287117.db2.gz ZFJRCBQFCRXORV-QNEJGDQOSA-N 0 0 534.484 5.581 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000103515342 555423216 /nfs/dbraw/zinc/42/32/16/555423216.db2.gz UVHYYWXIOCSGFM-MPFGFTFXSA-N 0 0 526.548 5.911 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103539564 555437801 /nfs/dbraw/zinc/43/78/01/555437801.db2.gz NVNLQRXPNDOAIB-AYQJTBPPSA-N 0 0 586.600 5.928 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103542912 555439368 /nfs/dbraw/zinc/43/93/68/555439368.db2.gz YFEBTZDEIHLWQO-IDZRBWSNSA-N 0 0 580.467 7.318 40 10 KKCBRN CC(C)c1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103554008 555445061 /nfs/dbraw/zinc/44/50/61/555445061.db2.gz FOOAXAGGNVZUDV-NGDRWEMDSA-N 0 0 564.106 7.841 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000103593285 555453041 /nfs/dbraw/zinc/45/30/41/555453041.db2.gz MQJSVBGZNBGZAC-XHKDLHGUSA-N 0 0 524.650 5.269 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(SCCOc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103605215 555454855 /nfs/dbraw/zinc/45/48/55/555454855.db2.gz YALPMQHUBLHZLF-VZKFJVGXSA-N 0 0 549.590 5.252 40 10 KKCBRN O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000103748343 555467067 /nfs/dbraw/zinc/46/70/67/555467067.db2.gz LNAIJFLXHAXDNF-NCELDCMTSA-N 0 0 525.542 5.197 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000103759027 555470772 /nfs/dbraw/zinc/47/07/72/555470772.db2.gz KUMDWLSDKXWVRK-UHFFFAOYSA-N 0 0 596.421 5.899 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1O ZINC000103759001 555470826 /nfs/dbraw/zinc/47/08/26/555470826.db2.gz VJSXHDINTIAAER-UHFFFAOYSA-N 0 0 568.367 5.206 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000103781348 555476317 /nfs/dbraw/zinc/47/63/17/555476317.db2.gz COVLTTKSNRCUTE-XWBNAGTRSA-N 0 0 607.754 7.532 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000103785883 555477700 /nfs/dbraw/zinc/47/77/00/555477700.db2.gz HBDSRJKXHMBDFN-KSEXSDGBSA-N 0 0 588.329 8.157 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000103791083 555480510 /nfs/dbraw/zinc/48/05/10/555480510.db2.gz FEHXBCMYLWEELM-ASUJOLEISA-N 0 0 548.111 6.380 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000103827343 555483426 /nfs/dbraw/zinc/48/34/26/555483426.db2.gz DCWLGGSWWGTLRR-OBDCIHEFSA-N 0 0 620.171 5.657 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856123 571366089 /nfs/dbraw/zinc/36/60/89/571366089.db2.gz ZRFGUOOMUVJHAH-UHFFFAOYSA-N 0 0 558.679 5.043 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000103855057 571365875 /nfs/dbraw/zinc/36/58/75/571365875.db2.gz WMVMKOJPJKYKRC-WPWMEQJKSA-N 0 0 534.572 6.203 40 10 KKCBRN CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000103854976 571365917 /nfs/dbraw/zinc/36/59/17/571365917.db2.gz JDBYGRUZPNVQHV-RVDMUPIBSA-N 0 0 530.718 5.279 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855393 571366056 /nfs/dbraw/zinc/36/60/56/571366056.db2.gz SLMOTPZAGPJKMM-KQWNVCNZSA-N 0 0 572.371 6.509 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N(C)C1=S ZINC000103856277 571366107 /nfs/dbraw/zinc/36/61/07/571366107.db2.gz UHTAHIGJPDCVGT-UHFFFAOYSA-N 0 0 529.843 5.433 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103857049 571366315 /nfs/dbraw/zinc/36/63/15/571366315.db2.gz ZUGCCZMSQLETOF-UHFFFAOYSA-N 0 0 558.281 5.332 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000103858046 571366405 /nfs/dbraw/zinc/36/64/05/571366405.db2.gz UMKNTERJFKUHFB-YBEGLDIGSA-N 0 0 561.142 5.046 40 10 KKCBRN Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103858015 571366473 /nfs/dbraw/zinc/36/64/73/571366473.db2.gz YHJWQPQSTNAOGN-ZDLGFXPLSA-N 0 0 533.209 5.830 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000103862751 571367645 /nfs/dbraw/zinc/36/76/45/571367645.db2.gz SMOOYKYWNYTUDT-CBPRFPNYSA-N 0 0 594.136 5.997 40 10 KKCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103871102 571368216 /nfs/dbraw/zinc/36/82/16/571368216.db2.gz KNSCQFQIXVUGQK-UHFFFAOYSA-N 0 0 530.650 5.029 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103872826 571368274 /nfs/dbraw/zinc/36/82/74/571368274.db2.gz LGDAXVPABNHJGA-OVVQPSECSA-N 0 0 592.721 6.570 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103875426 571368411 /nfs/dbraw/zinc/36/84/11/571368411.db2.gz DHOIOOXRMGCTSK-RIYZIHGNSA-N 0 0 572.651 6.820 40 10 KKCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)cc1C ZINC000103874028 571368425 /nfs/dbraw/zinc/36/84/25/571368425.db2.gz KLABOKNMIXDDFZ-VCHYOVAHSA-N 0 0 531.815 6.130 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000103899767 571368941 /nfs/dbraw/zinc/36/89/41/571368941.db2.gz VWIDZOJYNIGDCX-SWYRRKHMSA-N 0 0 568.895 7.693 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ccccc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000103904439 571369381 /nfs/dbraw/zinc/36/93/81/571369381.db2.gz AZPLFGRGPIHQRE-ZMIGGIFCSA-N 0 0 624.582 5.371 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccccc2OC(F)(F)F)cc1 ZINC000103922874 571369901 /nfs/dbraw/zinc/36/99/01/571369901.db2.gz LYRKDUIVSHPVQB-JCMHNJIXSA-N 0 0 512.444 5.639 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000104021793 571371356 /nfs/dbraw/zinc/37/13/56/571371356.db2.gz VYKDXBQNMOASHM-QQJNOOCOSA-N 0 0 561.981 6.053 40 10 KKCBRN CCC(=O)OC[C@H]1O[C@@H](Oc2ccc(/N=N/c3ccccc3)cc2)[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC ZINC000104040536 571371641 /nfs/dbraw/zinc/37/16/41/571371641.db2.gz AMSVXLPPAZFKDC-JCKWZRGNSA-N 0 0 584.622 5.124 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000104075147 571372300 /nfs/dbraw/zinc/37/23/00/571372300.db2.gz AUHGQKPLZNHFDY-GSBZAIBZSA-N 0 0 577.036 6.162 40 10 KKCBRN CCC(C)(C)c1ccc(OCCCCNC(=O)C2=CC(=NNc3ccccc3C(C)=O)c3ccccc3C2=O)c(C(C)(C)CC)c1 ZINC000104265121 571378103 /nfs/dbraw/zinc/37/81/03/571378103.db2.gz KONWYIUWNVFTHQ-DYFOJMMBSA-N 0 0 621.822 10.128 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5ccc(Br)cc5)ccc4s3)CC2)cc1 ZINC000104404106 571380425 /nfs/dbraw/zinc/38/04/25/571380425.db2.gz CVUPXLOIRFXREU-UHFFFAOYSA-N 0 0 600.560 5.460 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104646009 571381740 /nfs/dbraw/zinc/38/17/40/571381740.db2.gz VBEWTDNINLHCFL-FISMMAAMSA-N 0 0 581.694 7.418 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104645925 571381801 /nfs/dbraw/zinc/38/18/01/571381801.db2.gz XODSXRQAARLSRM-CUMRGQLISA-N 0 0 553.478 6.422 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104645759 571381805 /nfs/dbraw/zinc/38/18/05/571381805.db2.gz GBNIFIVTGYOEBA-ISCCLHIJSA-N 0 0 539.495 6.647 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104646252 571381949 /nfs/dbraw/zinc/38/19/49/571381949.db2.gz GKXXFTFDBWXHRX-BBANNHEPSA-N 0 0 547.507 8.288 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646852 571382067 /nfs/dbraw/zinc/38/20/67/571382067.db2.gz OXCDMAFNLJSUTF-WTNLLYQRSA-N 0 0 588.085 7.455 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647178 571382088 /nfs/dbraw/zinc/38/20/88/571382088.db2.gz KYLVTXAITHABLW-BALWLHIASA-N 0 0 559.515 7.418 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647185 571382092 /nfs/dbraw/zinc/38/20/92/571382092.db2.gz HSVHJDXLUKMEQI-RVFQGNMQSA-N 0 0 594.314 7.112 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104647150 571382111 /nfs/dbraw/zinc/38/21/11/571382111.db2.gz ZXABEUNUIBBDBV-SRGWNRLKSA-N 0 0 539.406 7.640 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104647274 571382143 /nfs/dbraw/zinc/38/21/43/571382143.db2.gz QAAHLLYDUFITBX-GNBJCERTSA-N 0 0 531.461 6.638 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104647318 571382150 /nfs/dbraw/zinc/38/21/50/571382150.db2.gz UUPCOVZYNIIIAG-SRGWNRLKSA-N 0 0 539.406 7.640 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647542 571382233 /nfs/dbraw/zinc/38/22/33/571382233.db2.gz QPLOQKGEBOOEBO-WZOHSFFVSA-N 0 0 529.887 7.038 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647710 571382251 /nfs/dbraw/zinc/38/22/51/571382251.db2.gz XOTVKHBYROTJEO-FYQCMVGJSA-N 0 0 541.069 6.302 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647679 571382347 /nfs/dbraw/zinc/38/23/47/571382347.db2.gz LPYAZFLYBQMSQA-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1Cl ZINC000104647906 571382374 /nfs/dbraw/zinc/38/23/74/571382374.db2.gz SNJSZOULEXAOAI-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648244 571382461 /nfs/dbraw/zinc/38/24/61/571382461.db2.gz OFNGQCGZBYBOPY-PPJWLVRDSA-N 0 0 525.468 6.475 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648219 571382511 /nfs/dbraw/zinc/38/25/11/571382511.db2.gz HKWBABUXPIVUST-YZUZCNPQSA-N 0 0 560.311 6.839 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648117 571382523 /nfs/dbraw/zinc/38/25/23/571382523.db2.gz ZMDIUJRJKHZCHV-LZCXECNNSA-N 0 0 571.493 6.102 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648067 571382539 /nfs/dbraw/zinc/38/25/39/571382539.db2.gz JJRNDRVQCJFCNT-LZCXECNNSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648659 571382662 /nfs/dbraw/zinc/38/26/62/571382662.db2.gz HUACNKMKZSAQEQ-ANSQWYIGSA-N 0 0 565.013 7.003 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648521 571382690 /nfs/dbraw/zinc/38/26/90/571382690.db2.gz IGSDXGHAIBNGNB-CLCZQPDDSA-N 0 0 526.624 7.630 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649048 571382789 /nfs/dbraw/zinc/38/27/89/571382789.db2.gz DVGPATGQPKGVJG-PYYUSEHKSA-N 0 0 583.666 6.810 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649365 571382930 /nfs/dbraw/zinc/38/29/30/571382930.db2.gz VIHNCASPGBJQKA-HEHLMWRFSA-N 0 0 603.538 7.877 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104649372 571383000 /nfs/dbraw/zinc/38/30/00/571383000.db2.gz PTDKKIPBEXXLNE-ADRXYBOHSA-N 0 0 538.625 6.835 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649401 571383023 /nfs/dbraw/zinc/38/30/23/571383023.db2.gz CLACDNZQEIEXJC-AARCXHMLSA-N 0 0 550.724 8.404 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104649350 571383034 /nfs/dbraw/zinc/38/30/34/571383034.db2.gz RNAGNYAIXYGWJW-PYYUSEHKSA-N 0 0 584.694 7.132 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649915 571383128 /nfs/dbraw/zinc/38/31/28/571383128.db2.gz VFXZXPPFBQCPDR-LZCXECNNSA-N 0 0 525.468 6.393 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000104650090 571383143 /nfs/dbraw/zinc/38/31/43/571383143.db2.gz IEOFKPRSQPSHBA-GLDPYIMESA-N 0 0 516.406 6.529 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649955 571383173 /nfs/dbraw/zinc/38/31/73/571383173.db2.gz JTRJAIAEVPRVSA-VKIDHGPPSA-N 0 0 555.494 6.402 40 10 KKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(OCc5ccccc5Cl)cc3)N4)sc2c1 ZINC000104650947 571383304 /nfs/dbraw/zinc/38/33/04/571383304.db2.gz QTYRLLMJQGTWAA-IWITZMJESA-N 0 0 535.112 9.331 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c(OC)c1 ZINC000104650570 571383308 /nfs/dbraw/zinc/38/33/08/571383308.db2.gz NNFYVVCEYQRKHZ-ANSQWYIGSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Br)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657295 571384345 /nfs/dbraw/zinc/38/43/45/571384345.db2.gz MVKMYVNGBXYZSX-SAGCDJCOSA-N 0 0 622.588 6.497 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658488 571384549 /nfs/dbraw/zinc/38/45/49/571384549.db2.gz SIISWUJFTNLJNI-YVBHXKDBSA-N 0 0 602.554 5.164 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000104659676 571384897 /nfs/dbraw/zinc/38/48/97/571384897.db2.gz SWOWYYMSUMJEHV-ASUJOLEISA-N 0 0 558.663 5.634 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000104677203 571385344 /nfs/dbraw/zinc/38/53/44/571385344.db2.gz HOKDBLWFXBQQLR-DBXPASCUSA-N 0 0 596.591 5.530 40 10 KKCBRN CN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=S ZINC000104882208 571387147 /nfs/dbraw/zinc/38/71/47/571387147.db2.gz HUEBXIXQRVFMKS-UHFFFAOYSA-N 0 0 546.874 5.125 40 10 KKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000105294507 571392551 /nfs/dbraw/zinc/39/25/51/571392551.db2.gz ROAQPKFFAKVZRT-UHFFFAOYSA-N 0 0 541.116 6.916 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303592 571392780 /nfs/dbraw/zinc/39/27/80/571392780.db2.gz HQFQMAGTCSPODK-UHFFFAOYSA-N 0 0 535.409 5.007 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000222751575 571393108 /nfs/dbraw/zinc/39/31/08/571393108.db2.gz HXUFKKYBYUHPBC-UHFFFAOYSA-N 0 0 576.162 6.820 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105517668 571407141 /nfs/dbraw/zinc/40/71/41/571407141.db2.gz APHYTFITWCRGNC-NBQDTTAVSA-N 0 0 611.167 5.521 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000105629899 571407923 /nfs/dbraw/zinc/40/79/23/571407923.db2.gz MGDRFYPNAQZMNX-GMQQYTKMSA-N 0 0 594.417 5.937 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105668688 571408181 /nfs/dbraw/zinc/40/81/81/571408181.db2.gz CKWCQOFUESYVAB-HZHRSRAPSA-N 0 0 536.587 5.627 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106681687 571413429 /nfs/dbraw/zinc/41/34/29/571413429.db2.gz YCIFDEXPKJKZIM-UUYOSTAYSA-N 0 0 515.860 7.055 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106684420 571413661 /nfs/dbraw/zinc/41/36/61/571413661.db2.gz WNCUDJDUVHSAAC-QFEZKATASA-N 0 0 551.893 7.900 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccc(Cl)cc5Cl)C4=O)c3C)cc2)cc1 ZINC000106689546 571414012 /nfs/dbraw/zinc/41/40/12/571414012.db2.gz CDUNNUBCTHICPG-MBTHVWNTSA-N 0 0 579.505 8.438 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccc(F)cc5)C4=O)c3C)cc2)cc1 ZINC000106695687 571414094 /nfs/dbraw/zinc/41/40/94/571414094.db2.gz NFRXAUAGWDZHPO-QRQIAZFYSA-N 0 0 528.605 7.271 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106696448 571414146 /nfs/dbraw/zinc/41/41/46/571414146.db2.gz KMTPDKZQBZOLMG-QFEZKATASA-N 0 0 535.438 7.385 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccc(Cl)c(Cl)c5)C4=O)c3C)cc2)cc1 ZINC000106716719 571415579 /nfs/dbraw/zinc/41/55/79/571415579.db2.gz QJNJOZQQRNMXSK-NTFVMDSBSA-N 0 0 579.505 8.438 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000106724545 571416264 /nfs/dbraw/zinc/41/62/64/571416264.db2.gz PKTNNOOTVVUASI-MTJSOVHGSA-N 0 0 512.385 6.001 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106732435 571416678 /nfs/dbraw/zinc/41/66/78/571416678.db2.gz BMRIVGUYIDRESQ-NHDPSOOVSA-N 0 0 535.385 7.112 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106753092 571417658 /nfs/dbraw/zinc/41/76/58/571417658.db2.gz OELCCEPUVSUXEM-FBHDLOMBSA-N 0 0 583.278 7.242 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106953498 571418666 /nfs/dbraw/zinc/41/86/66/571418666.db2.gz GJVWURZQPCGESH-QQXSKIMKSA-N 0 0 524.627 5.924 40 10 KKCBRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000223072376 571428130 /nfs/dbraw/zinc/42/81/30/571428130.db2.gz DJROYMGNELSXKI-NRFANRHFSA-N 0 0 506.112 5.308 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223083411 571429226 /nfs/dbraw/zinc/42/92/26/571429226.db2.gz CJDBSUPSDIZAHB-URLMMPGGSA-N 0 0 515.727 5.631 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000111470133 571433005 /nfs/dbraw/zinc/43/30/05/571433005.db2.gz QWUIHTJZRUEVQH-LBLGWMPZSA-N 0 0 551.712 5.125 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2C)cc1 ZINC000111505491 571433462 /nfs/dbraw/zinc/43/34/62/571433462.db2.gz CZXCDTKPLFRGBS-MUFRIFMGSA-N 0 0 604.932 7.490 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCSc2ccc(Cl)cc2)cc1 ZINC000112230037 571434028 /nfs/dbraw/zinc/43/40/28/571434028.db2.gz DZLVQPCPXMXTLO-ULJHMMPZSA-N 0 0 523.014 5.664 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144610 571435917 /nfs/dbraw/zinc/43/59/17/571435917.db2.gz GGPQYRMVYXAFKC-DQEYMECFSA-N 0 0 530.525 5.101 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144878 571435998 /nfs/dbraw/zinc/43/59/98/571435998.db2.gz BSUDRKPMPQWONY-DQEYMECFSA-N 0 0 530.525 5.101 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169876 571440048 /nfs/dbraw/zinc/44/00/48/571440048.db2.gz RITDHTBRRPGMJT-CLJLJLNGSA-N 0 0 543.659 5.203 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223170053 571440080 /nfs/dbraw/zinc/44/00/80/571440080.db2.gz RITDHTBRRPGMJT-UIOOFZCWSA-N 0 0 543.659 5.203 40 10 KKCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000113623703 571441134 /nfs/dbraw/zinc/44/11/34/571441134.db2.gz OWIPQHVKCCGPLQ-UHFFFAOYSA-N 0 0 553.750 5.309 40 10 KKCBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000113624036 571441340 /nfs/dbraw/zinc/44/13/40/571441340.db2.gz BNNBPNIVONCAPG-UHFFFAOYSA-N 0 0 532.493 5.490 40 10 KKCBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000113625794 571441350 /nfs/dbraw/zinc/44/13/50/571441350.db2.gz OZXMGJUFHSIBAP-UHFFFAOYSA-N 0 0 587.098 5.067 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180832 571441598 /nfs/dbraw/zinc/44/15/98/571441598.db2.gz KCHGYXQMAMKFGS-XZWHSSHBSA-N 0 0 525.722 5.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182459 571441677 /nfs/dbraw/zinc/44/16/77/571441677.db2.gz NLOYWONUUXQASI-CLJLJLNGSA-N 0 0 543.659 5.203 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000223184162 571441927 /nfs/dbraw/zinc/44/19/27/571441927.db2.gz UETDTSCPSQGRKL-NOZRDPDXSA-N 0 0 533.738 5.997 40 10 KKCBRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000113634596 571442004 /nfs/dbraw/zinc/44/20/04/571442004.db2.gz WEARMSWACQOFFR-UHFFFAOYSA-N 0 0 531.600 5.207 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113830736 571442354 /nfs/dbraw/zinc/44/23/54/571442354.db2.gz PMONYGAIJQHHQC-WSDLNYQXSA-N 0 0 546.895 7.096 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830851 571442410 /nfs/dbraw/zinc/44/24/10/571442410.db2.gz NSHVBIJQOLRJMK-SSDVNMTOSA-N 0 0 547.441 6.895 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113832628 571442536 /nfs/dbraw/zinc/44/25/36/571442536.db2.gz AZCOODADKPRIIZ-FSJBWODESA-N 0 0 512.553 7.253 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113832763 571442567 /nfs/dbraw/zinc/44/25/67/571442567.db2.gz GQUOVGYCRIXNPL-UDWIEESQSA-N 0 0 596.586 5.796 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000113834105 571442587 /nfs/dbraw/zinc/44/25/87/571442587.db2.gz XUOJOGIWKFBKES-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113833929 571442603 /nfs/dbraw/zinc/44/26/03/571442603.db2.gz GWHGEUBSNOIAHA-WSDLNYQXSA-N 0 0 546.548 6.607 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187696 571442617 /nfs/dbraw/zinc/44/26/17/571442617.db2.gz BMNFVOKRINDTCX-CLJLJLNGSA-N 0 0 544.552 5.491 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113833770 571442609 /nfs/dbraw/zinc/44/26/09/571442609.db2.gz DSFAPEMHPBCZCZ-MFKUBSTISA-N 0 0 577.481 7.495 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833919 571442611 /nfs/dbraw/zinc/44/26/11/571442611.db2.gz MOOSDEQIVDWZIA-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188004 571442671 /nfs/dbraw/zinc/44/26/71/571442671.db2.gz JZDWDRBFLMXIRK-FTJBHMTQSA-N 0 0 544.552 5.491 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113833509 571442681 /nfs/dbraw/zinc/44/26/81/571442681.db2.gz LMLFXMZEYSBENL-UHFFFAOYSA-N 0 0 619.540 7.930 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113834176 571442719 /nfs/dbraw/zinc/44/27/19/571442719.db2.gz VOJQHHTVZOEKFS-YDZHTSKRSA-N 0 0 537.575 5.887 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000113836224 571442735 /nfs/dbraw/zinc/44/27/35/571442735.db2.gz IKBQOYVBBWEJFN-YBFXNURJSA-N 0 0 544.218 6.736 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834266 571442791 /nfs/dbraw/zinc/44/27/91/571442791.db2.gz NNYRRRSZRAALBM-WSDLNYQXSA-N 0 0 546.548 6.607 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)c1 ZINC000113838739 571442916 /nfs/dbraw/zinc/44/29/16/571442916.db2.gz JUSVGNNMDRKJNV-ZMOGYAJESA-N 0 0 509.483 7.711 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191558 571443154 /nfs/dbraw/zinc/44/31/54/571443154.db2.gz UZPACILQAQQCMU-PXJZQJOASA-N 0 0 517.743 5.055 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223228886 571447781 /nfs/dbraw/zinc/44/77/81/571447781.db2.gz PBDCZKCUEOERES-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000138892088 571452448 /nfs/dbraw/zinc/45/24/48/571452448.db2.gz VCDBHJVWGDTTDW-UHFFFAOYSA-N 0 0 539.588 5.881 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000144209375 571456302 /nfs/dbraw/zinc/45/63/02/571456302.db2.gz SDMBGAIKUYSFCE-NDENLUEZSA-N 0 0 500.361 5.940 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223312207 571459197 /nfs/dbraw/zinc/45/91/97/571459197.db2.gz HVOPPSOHSSWQET-VWMXVWASSA-N 0 0 501.483 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223312155 571459213 /nfs/dbraw/zinc/45/92/13/571459213.db2.gz HVOPPSOHSSWQET-PKKBDPGCSA-N 0 0 501.483 5.947 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223312447 571459296 /nfs/dbraw/zinc/45/92/96/571459296.db2.gz XHYZHDKAYJFRPX-GLYQVZKVSA-N 0 0 501.483 5.947 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223351371 571464555 /nfs/dbraw/zinc/46/45/55/571464555.db2.gz IMIWASOKAJELMJ-RPBOFIJWSA-N 0 0 503.584 5.172 40 10 KKCBRN c1ccc(/C(N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)=C(/N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000150373994 571466230 /nfs/dbraw/zinc/46/62/30/571466230.db2.gz JHYJIVGZSFPPKL-KLVXIPKBSA-N 0 0 720.920 13.401 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Br ZINC000223385088 571469270 /nfs/dbraw/zinc/46/92/70/571469270.db2.gz XQWCODUXDOXHPJ-FTJBHMTQSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000223385346 571469426 /nfs/dbraw/zinc/46/94/26/571469426.db2.gz FFLLONFDMLJHDC-FTJBHMTQSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223388365 571469915 /nfs/dbraw/zinc/46/99/15/571469915.db2.gz CFUGEUHNSXIRKR-CLJLJLNGSA-N 0 0 507.490 6.969 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150390415 571472706 /nfs/dbraw/zinc/47/27/06/571472706.db2.gz VRNRCMAFFXYHCR-VULFUBBASA-N 0 0 675.972 8.620 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223422162 571474242 /nfs/dbraw/zinc/47/42/42/571474242.db2.gz JQCNMGBEMFXUCH-KAYWLYCHSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223426074 571474837 /nfs/dbraw/zinc/47/48/37/571474837.db2.gz RLICEDWDADUCSQ-WUFINQPMSA-N 0 0 512.635 5.399 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223426521 571474866 /nfs/dbraw/zinc/47/48/66/571474866.db2.gz LZNSAUNKDJYXHB-IZLXSDGUSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223426639 571474922 /nfs/dbraw/zinc/47/49/22/571474922.db2.gz LZNSAUNKDJYXHB-VSGBNLITSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150399644 571477653 /nfs/dbraw/zinc/47/76/53/571477653.db2.gz XNTLODHMIQKDQH-CIAFOILYSA-N 0 0 668.816 6.999 40 10 KKCBRN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405406 571479316 /nfs/dbraw/zinc/47/93/16/571479316.db2.gz MNYBEIKWMIRDJS-TYHGNQNSSA-N 0 0 658.704 5.086 40 10 KKCBRN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405402 571479367 /nfs/dbraw/zinc/47/93/67/571479367.db2.gz MNYBEIKWMIRDJS-ZPGRZCPFSA-N 0 0 658.704 5.086 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224118295 571479555 /nfs/dbraw/zinc/47/95/55/571479555.db2.gz YSDYQDGQUZAJJI-BAVULBIOSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Br)c1 ZINC000223461505 571480071 /nfs/dbraw/zinc/48/00/71/571480071.db2.gz GJJCASXUHIFZRN-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224121174 571480358 /nfs/dbraw/zinc/48/03/58/571480358.db2.gz RPEBLUQOYCRKJG-LFPITUNASA-N 0 0 571.194 7.197 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463918 571480739 /nfs/dbraw/zinc/48/07/39/571480739.db2.gz KDCPTZBQZVZDSH-WDYNHAJCSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223464113 571480759 /nfs/dbraw/zinc/48/07/59/571480759.db2.gz LGTVGVBIFAKOGJ-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223464483 571480804 /nfs/dbraw/zinc/48/08/04/571480804.db2.gz ISZAPAGVLJMJFW-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224127582 571481787 /nfs/dbraw/zinc/48/17/87/571481787.db2.gz IDELWIIDLWQHFM-LKPJLLJWSA-N 0 0 584.233 8.110 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224128421 571482002 /nfs/dbraw/zinc/48/20/02/571482002.db2.gz GRROYUDVQOYLTR-NTQNKHNGSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224129175 571482156 /nfs/dbraw/zinc/48/21/56/571482156.db2.gz ROQSMTCVYWHLSL-CKUCSLQLSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224129854 571482381 /nfs/dbraw/zinc/48/23/81/571482381.db2.gz BIFRWAYSIDXLAL-BAVULBIOSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224130981 571482749 /nfs/dbraw/zinc/48/27/49/571482749.db2.gz ORARJJUQJKGVKI-LKPJLLJWSA-N 0 0 600.232 7.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224136444 571483950 /nfs/dbraw/zinc/48/39/50/571483950.db2.gz QJQCGTXIIPNJCW-MPLPQHJPSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150413235 571484757 /nfs/dbraw/zinc/48/47/57/571484757.db2.gz PLMIOFRYGSSCFA-XWFWGDPBSA-N 0 0 706.981 6.027 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224148778 571486493 /nfs/dbraw/zinc/48/64/93/571486493.db2.gz WIUHPIAHLSPGBS-RZKSXRECSA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Br)cc1 ZINC000223497811 571487267 /nfs/dbraw/zinc/48/72/67/571487267.db2.gz RLJHCXYIVSAYND-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500021 571487589 /nfs/dbraw/zinc/48/75/89/571487589.db2.gz WCKHFVMSBVOGTK-WDYNHAJCSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223500317 571487786 /nfs/dbraw/zinc/48/77/86/571487786.db2.gz XUNDKGGODPYUGP-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCC ZINC000150421724 571487869 /nfs/dbraw/zinc/48/78/69/571487869.db2.gz ZTDLBOFXTMJNTP-KOEQRZSOSA-N 0 0 646.481 7.134 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000150422865 571488651 /nfs/dbraw/zinc/48/86/51/571488651.db2.gz HYDNKFMGEAVCNC-AJBULDERSA-N 0 0 722.579 8.622 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000150424733 571489309 /nfs/dbraw/zinc/48/93/09/571489309.db2.gz NUXSPXWJRRAVOR-VUTHCHCSSA-N 0 0 695.997 9.125 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000224166615 571489629 /nfs/dbraw/zinc/48/96/29/571489629.db2.gz HKHUJJOQOPVLDS-JWQCQUIFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223523558 571493692 /nfs/dbraw/zinc/49/36/92/571493692.db2.gz LROZOHPKAMFRAN-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224192543 571493935 /nfs/dbraw/zinc/49/39/35/571493935.db2.gz CNLKQGUVHHODKY-LOYHVIPDSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224192634 571493956 /nfs/dbraw/zinc/49/39/56/571493956.db2.gz CNLKQGUVHHODKY-XZWHSSHBSA-N 0 0 523.706 5.811 40 10 KKCBRN CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3CC)C2=O)SC1=S ZINC000150432298 571494145 /nfs/dbraw/zinc/49/41/45/571494145.db2.gz OLGCOBJHOSMXOH-QVIHXGFCSA-N 0 0 696.986 7.442 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000150435326 571495241 /nfs/dbraw/zinc/49/52/41/571495241.db2.gz UEMXLDSWKIDWRT-CFRMEGHHSA-N 0 0 639.420 8.538 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224201870 571495377 /nfs/dbraw/zinc/49/53/77/571495377.db2.gz DMALMLDAPCLXNU-CLJLJLNGSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224203973 571495955 /nfs/dbraw/zinc/49/59/55/571495955.db2.gz WBXAGYIIGZOPGQ-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCN3CCN(C(=O)CCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150436293 571496059 /nfs/dbraw/zinc/49/60/59/571496059.db2.gz LMGAUCCBCGZGSA-PROVRCSXSA-N 0 0 736.023 5.227 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000150436313 571496289 /nfs/dbraw/zinc/49/62/89/571496289.db2.gz DGIIJWCTLJUBEZ-PLNZPELQSA-N 0 0 776.859 5.917 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224205928 571496457 /nfs/dbraw/zinc/49/64/57/571496457.db2.gz WGPMPSSNYJKOOS-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223534503 571496700 /nfs/dbraw/zinc/49/67/00/571496700.db2.gz LBOLHCYQYMDXDS-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Br)cc1 ZINC000223537188 571497372 /nfs/dbraw/zinc/49/73/72/571497372.db2.gz BLMFMOIORPCHQZ-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223540014 571497940 /nfs/dbraw/zinc/49/79/40/571497940.db2.gz WMYMUSXFFAXMLP-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000150445166 571500226 /nfs/dbraw/zinc/50/02/26/571500226.db2.gz JSKKEDBZQYYTDW-AUAXKSBWSA-N 0 0 666.669 7.028 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1 ZINC000150445451 571500474 /nfs/dbraw/zinc/50/04/74/571500474.db2.gz PARBKEPUPKJHEL-DQWRGTGXSA-N 0 0 827.000 7.016 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)SC1=S)Nc1ccc(F)cc1 ZINC000150445589 571500684 /nfs/dbraw/zinc/50/06/84/571500684.db2.gz LVTOLTQAYRRKOK-OCEACIFDSA-N 0 0 676.858 6.595 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224224920 571501009 /nfs/dbraw/zinc/50/10/09/571501009.db2.gz QYURYJAXNSTAIE-UIOOFZCWSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224224977 571501034 /nfs/dbraw/zinc/50/10/34/571501034.db2.gz AMFLFZYTTLYTJN-LOYHVIPDSA-N 0 0 523.706 5.811 40 10 KKCBRN CCCCn1c(=O)/c(=C\C=C2\SC(c3ccccc3)=C(c3ccccc3)N2CC)s/c1=C1\SC(=S)N(CCCCCC(=O)OCC)C1=O ZINC000150450568 571502352 /nfs/dbraw/zinc/50/23/52/571502352.db2.gz WBWUGRFQWYXJDS-MPRYBEFZSA-N 0 0 720.020 7.019 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(I)cc3)C2=O)SC1=S)Nc1ccc(I)cc1 ZINC000150451770 571503032 /nfs/dbraw/zinc/50/30/32/571503032.db2.gz NXNOQTZUGZLBBQ-OCEACIFDSA-N 0 0 892.670 7.526 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224238145 571504055 /nfs/dbraw/zinc/50/40/55/571504055.db2.gz UVLYYUODLTZOKZ-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150456507 571504523 /nfs/dbraw/zinc/50/45/23/571504523.db2.gz MJXPLTBHSGVOFL-ODLFYWEKSA-N 0 0 677.278 7.383 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240680 571504583 /nfs/dbraw/zinc/50/45/83/571504583.db2.gz XTUZKSAGBVVMOG-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150456554 571504822 /nfs/dbraw/zinc/50/48/22/571504822.db2.gz OGMALOAZPUWQSV-WQRHYEAKSA-N 0 0 647.252 7.374 40 10 KKCBRN Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4c(C)cc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000150460953 571506230 /nfs/dbraw/zinc/50/62/30/571506230.db2.gz BSRWENRQVBOLAU-QNEJGDQOSA-N 0 0 725.040 8.167 40 10 KKCBRN Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4c(C)cc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000150460986 571506399 /nfs/dbraw/zinc/50/63/99/571506399.db2.gz GAGPOIJVCWNBCZ-BYYHNAKLSA-N 0 0 668.932 6.607 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)SC1=S)Nc1nc2ccccc2s1 ZINC000150469473 571508565 /nfs/dbraw/zinc/50/85/65/571508565.db2.gz MGRBWTHNEWWRRZ-OCEACIFDSA-N 0 0 755.032 7.536 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000150469749 571509051 /nfs/dbraw/zinc/50/90/51/571509051.db2.gz UWOVNHWYNGJDON-BYYHNAKLSA-N 0 0 779.054 6.851 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C4\SC(=S)N(CCCCCC(=O)Nc5ncc(Cc6cccc(C)c6)s5)C4=O)SC3=S)s2)c1 ZINC000150470172 571509223 /nfs/dbraw/zinc/50/92/23/571509223.db2.gz USPVRFRAATZIGX-JEIPZWNWSA-N 0 0 863.216 9.028 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224265343 571509683 /nfs/dbraw/zinc/50/96/83/571509683.db2.gz YFDPZAHAPSFXDX-IOWSJCHKSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224266680 571509930 /nfs/dbraw/zinc/50/99/30/571509930.db2.gz XVGPJXDLQRRSSA-RRPNLBNLSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224268561 571510343 /nfs/dbraw/zinc/51/03/43/571510343.db2.gz QDNZUMTVZFGBPC-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270584 571510646 /nfs/dbraw/zinc/51/06/46/571510646.db2.gz DNIBDQDXNIBNNN-FIRIVFDPSA-N 0 0 523.750 7.129 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270672 571510657 /nfs/dbraw/zinc/51/06/57/571510657.db2.gz DNIBDQDXNIBNNN-IOWSJCHKSA-N 0 0 523.750 7.129 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273250 571511189 /nfs/dbraw/zinc/51/11/89/571511189.db2.gz ZWCSEOKFSNGFNO-IZLXSDGUSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150481102 571512430 /nfs/dbraw/zinc/51/24/30/571512430.db2.gz GNUQVVZPUHXFLK-LQKURTRISA-N 0 0 716.415 9.389 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224286454 571513590 /nfs/dbraw/zinc/51/35/90/571513590.db2.gz LMQXDOPFGUYRRI-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224290610 571514424 /nfs/dbraw/zinc/51/44/24/571514424.db2.gz VDMSKDAVJFZIEB-CONSDPRKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223617630 571514994 /nfs/dbraw/zinc/51/49/94/571514994.db2.gz MUKNCDUGMABIBH-QRAWFLTRSA-N 0 0 509.050 5.680 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224302018 571517329 /nfs/dbraw/zinc/51/73/29/571517329.db2.gz IBOMNHNSYUOVLL-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224304528 571517924 /nfs/dbraw/zinc/51/79/24/571517924.db2.gz AKVDONFVFWBZCE-SVBPBHIXSA-N 0 0 521.517 7.590 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224306253 571518445 /nfs/dbraw/zinc/51/84/45/571518445.db2.gz QFCZHHCUQYNINI-VSGBNLITSA-N 0 0 501.099 7.245 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224306887 571518458 /nfs/dbraw/zinc/51/84/58/571518458.db2.gz RNJQEOXNQGASCD-VSGBNLITSA-N 0 0 501.099 7.245 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224307039 571518588 /nfs/dbraw/zinc/51/85/88/571518588.db2.gz RNJQEOXNQGASCD-NSOVKSMOSA-N 0 0 501.099 7.245 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150523110 571520345 /nfs/dbraw/zinc/52/03/45/571520345.db2.gz AJGFNCSLBDDNNU-PCLIKHOPSA-N 0 0 718.038 7.126 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223656331 571521435 /nfs/dbraw/zinc/52/14/35/571521435.db2.gz CFPTWTHQFYSOCA-PKTZIBPZSA-N 0 0 503.455 5.332 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223656085 571521575 /nfs/dbraw/zinc/52/15/75/571521575.db2.gz GVXRRHIRTHUOET-PKTZIBPZSA-N 0 0 503.455 5.332 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150580202 571521665 /nfs/dbraw/zinc/52/16/65/571521665.db2.gz CNNFMTUUPGYVCE-QGMBQPNBSA-N 0 0 702.126 6.615 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000224325247 571522072 /nfs/dbraw/zinc/52/20/72/571522072.db2.gz WHPNLSQAGOMSMW-SVBPBHIXSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000224333290 571523793 /nfs/dbraw/zinc/52/37/93/571523793.db2.gz WSUSQBYYXOENOS-JSOSNVBQSA-N 0 0 502.687 7.382 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000224336336 571524788 /nfs/dbraw/zinc/52/47/88/571524788.db2.gz SUFGWEWEZXYUKW-RRPNLBNLSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000224336541 571524953 /nfs/dbraw/zinc/52/49/53/571524953.db2.gz LYXBPIITUBNOHJ-RRPNLBNLSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000224338751 571525353 /nfs/dbraw/zinc/52/53/53/571525353.db2.gz AJPJLECVDPJLHF-RRPNLBNLSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000224338558 571525359 /nfs/dbraw/zinc/52/53/59/571525359.db2.gz DZBLILKTAKLYIB-RRPNLBNLSA-N 0 0 521.517 7.535 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000224340477 571525813 /nfs/dbraw/zinc/52/58/13/571525813.db2.gz ZRFGEONDVQCKIX-WUFINQPMSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000224341057 571526017 /nfs/dbraw/zinc/52/60/17/571526017.db2.gz YXBXKUAVXRHRNO-WUFINQPMSA-N 0 0 517.098 6.891 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000223691937 571527967 /nfs/dbraw/zinc/52/79/67/571527967.db2.gz RLYNPLHBZBUQHV-GOTSBHOMSA-N 0 0 503.455 5.332 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000224353397 571528559 /nfs/dbraw/zinc/52/85/59/571528559.db2.gz ZNNRKCXYTONFGQ-NSOVKSMOSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000224368189 571531417 /nfs/dbraw/zinc/53/14/17/571531417.db2.gz BLIBYMPWUMVYBL-VSGBNLITSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224370203 571531746 /nfs/dbraw/zinc/53/17/46/571531746.db2.gz AZKMXIQFWQGBCU-IHLOFXLRSA-N 0 0 509.723 6.856 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224372149 571532276 /nfs/dbraw/zinc/53/22/76/571532276.db2.gz ATHFIDXTHUDQOW-VMPREFPWSA-N 0 0 515.126 7.751 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224372456 571532295 /nfs/dbraw/zinc/53/22/95/571532295.db2.gz CNKOCFUUYJQPEF-WDYNHAJCSA-N 0 0 541.677 6.706 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224372299 571532345 /nfs/dbraw/zinc/53/23/45/571532345.db2.gz UJTZOAIHHPFCSQ-URLMMPGGSA-N 0 0 541.677 6.706 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373393 571532553 /nfs/dbraw/zinc/53/25/53/571532553.db2.gz LQWDOXCEUKQFFA-VEEOACQBSA-N 0 0 508.735 7.660 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223725850 571533427 /nfs/dbraw/zinc/53/34/27/571533427.db2.gz LYXVMLYFIMVJIC-RPWUZVMVSA-N 0 0 517.482 5.722 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163282076 571534749 /nfs/dbraw/zinc/53/47/49/571534749.db2.gz DOESEAJRBLAQLR-ZPMAPHDVSA-N 0 0 699.614 6.348 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1 ZINC000224385620 571535234 /nfs/dbraw/zinc/53/52/34/571535234.db2.gz NRGYGGWRHPIBQJ-WDYNHAJCSA-N 0 0 524.690 6.576 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224385768 571535419 /nfs/dbraw/zinc/53/54/19/571535419.db2.gz KLIKLTJPRIGEEY-FQLXRVMXSA-N 0 0 524.690 6.576 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402407 571538364 /nfs/dbraw/zinc/53/83/64/571538364.db2.gz ILPYHTPTCQKIHZ-WDYNHAJCSA-N 0 0 513.686 6.652 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405308 571539137 /nfs/dbraw/zinc/53/91/37/571539137.db2.gz NMGVMHZKFYXCFJ-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223760343 571539535 /nfs/dbraw/zinc/53/95/35/571539535.db2.gz CRJRGVBDPVXLEE-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223760225 571539553 /nfs/dbraw/zinc/53/95/53/571539553.db2.gz CRJRGVBDPVXLEE-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223765468 571540488 /nfs/dbraw/zinc/54/04/88/571540488.db2.gz RCNPFXPDZWVDGS-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223767217 571540833 /nfs/dbraw/zinc/54/08/33/571540833.db2.gz WWCXHJDGEUJEMX-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163719103 571541663 /nfs/dbraw/zinc/54/16/63/571541663.db2.gz DJXCYUKYIYRRFX-PKYOQBLNSA-N 0 0 667.025 5.859 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1 ZINC000224417226 571541766 /nfs/dbraw/zinc/54/17/66/571541766.db2.gz KPGQQASWHXPLRC-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163726638 571541809 /nfs/dbraw/zinc/54/18/09/571541809.db2.gz NAABDRZAAAGIMB-OKMHPQNISA-N 0 0 645.612 6.174 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224417624 571541939 /nfs/dbraw/zinc/54/19/39/571541939.db2.gz UXIIRMAYDXBMIV-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163726764 571542090 /nfs/dbraw/zinc/54/20/90/571542090.db2.gz NAABDRZAAAGIMB-OCDQFKQQSA-N 0 0 645.612 6.174 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224421409 571542639 /nfs/dbraw/zinc/54/26/39/571542639.db2.gz SUFGLSVIOLQKJZ-LOSJGSFVSA-N 0 0 510.560 6.824 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000163881698 571543276 /nfs/dbraw/zinc/54/32/76/571543276.db2.gz JOUZBNWWOSVGRR-UHFFFAOYSA-N 0 0 715.396 7.934 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000164193154 571544778 /nfs/dbraw/zinc/54/47/78/571544778.db2.gz PSONKIZYCGYLEQ-OBDCIHEFSA-N 0 0 664.622 5.766 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000164192779 571544850 /nfs/dbraw/zinc/54/48/50/571544850.db2.gz UBEHQBBLGWRYMA-SJXDCSIJSA-N 0 0 711.622 5.608 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000224433827 571544945 /nfs/dbraw/zinc/54/49/45/571544945.db2.gz RQAQSBILOQVAJU-JWQCQUIFSA-N 0 0 521.459 6.568 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223794419 571545263 /nfs/dbraw/zinc/54/52/63/571545263.db2.gz FPQZZDBLBRCOCK-FIRIVFDPSA-N 0 0 518.686 7.218 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000224435662 571545315 /nfs/dbraw/zinc/54/53/15/571545315.db2.gz IRSBLWNVFUNMFY-JWQCQUIFSA-N 0 0 511.453 7.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000224435701 571545334 /nfs/dbraw/zinc/54/53/34/571545334.db2.gz IRSBLWNVFUNMFY-RPBOFIJWSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438399 571545976 /nfs/dbraw/zinc/54/59/76/571545976.db2.gz BCLSWHFZGUQBSR-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223801404 571546622 /nfs/dbraw/zinc/54/66/22/571546622.db2.gz NAOJZJVDKOAUJV-URLMMPGGSA-N 0 0 511.695 6.131 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000223801692 571546633 /nfs/dbraw/zinc/54/66/33/571546633.db2.gz NCMSNUOKZSMPJA-FIRIVFDPSA-N 0 0 539.749 6.911 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223801347 571546646 /nfs/dbraw/zinc/54/66/46/571546646.db2.gz NAOJZJVDKOAUJV-WDYNHAJCSA-N 0 0 511.695 6.131 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223802197 571546806 /nfs/dbraw/zinc/54/68/06/571546806.db2.gz DUGYWFQOVMFZRT-KAYWLYCHSA-N 0 0 537.516 7.372 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000164423754 571547456 /nfs/dbraw/zinc/54/74/56/571547456.db2.gz WNFKEHHIXOHVHI-FMFFXOCNSA-N 0 0 650.562 8.872 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccc(-c6ccccc6)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164465565 571548374 /nfs/dbraw/zinc/54/83/74/571548374.db2.gz JBAGYUSEGDQKRH-YTFBDJPQSA-N 0 0 629.738 8.468 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000164518388 571549053 /nfs/dbraw/zinc/54/90/53/571549053.db2.gz AMTCHDZBNZNSFP-LYBNBXPHSA-N 0 0 635.789 7.010 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000164653048 571550384 /nfs/dbraw/zinc/55/03/84/571550384.db2.gz GWNFKUVCTNSHQV-NAIWQIQESA-N 0 0 634.596 5.594 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000164802153 571551129 /nfs/dbraw/zinc/55/11/29/571551129.db2.gz OARYMXJMYJBYQS-UHFFFAOYSA-N 0 0 688.587 7.634 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164791673 571551132 /nfs/dbraw/zinc/55/11/32/571551132.db2.gz TZFUGRYXSFRHAQ-UHFFFAOYSA-N 0 0 737.388 7.842 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164812617 571551273 /nfs/dbraw/zinc/55/12/73/571551273.db2.gz RLRNFMBLGCZDPU-UHFFFAOYSA-N 0 0 678.910 7.506 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224465191 571552144 /nfs/dbraw/zinc/55/21/44/571552144.db2.gz NEEDDSDLMRHJLQ-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224467070 571552687 /nfs/dbraw/zinc/55/26/87/571552687.db2.gz VDXGERHTLXLNIO-JWQCQUIFSA-N 0 0 527.908 7.626 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224468679 571552997 /nfs/dbraw/zinc/55/29/97/571552997.db2.gz ZSYGXUBAPIQPCS-FTJBHMTQSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224468758 571553102 /nfs/dbraw/zinc/55/31/02/571553102.db2.gz ZSYGXUBAPIQPCS-UIOOFZCWSA-N 0 0 503.027 6.048 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469262 571553203 /nfs/dbraw/zinc/55/32/03/571553203.db2.gz TWROYSRQMMRLDM-IZZNHLLZSA-N 0 0 534.041 6.236 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224469606 571553266 /nfs/dbraw/zinc/55/32/66/571553266.db2.gz MTIVDGDQFKVHTQ-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470194 571553428 /nfs/dbraw/zinc/55/34/28/571553428.db2.gz DIEOTKWIONABRQ-UIOOFZCWSA-N 0 0 534.041 6.236 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470231 571553441 /nfs/dbraw/zinc/55/34/41/571553441.db2.gz PTMTVFMCYCMAPU-IXCJQBJRSA-N 0 0 501.099 7.190 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223823162 571556499 /nfs/dbraw/zinc/55/64/99/571556499.db2.gz BPJFOKIAQJFOSJ-WUFINQPMSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223823054 571556503 /nfs/dbraw/zinc/55/65/03/571556503.db2.gz BPJFOKIAQJFOSJ-NSOVKSMOSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223823575 571556701 /nfs/dbraw/zinc/55/67/01/571556701.db2.gz RRQURWNNUWVKCJ-NSOVKSMOSA-N 0 0 533.097 6.727 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223824001 571556876 /nfs/dbraw/zinc/55/68/76/571556876.db2.gz MLLIYNLRWRZOQD-VSGBNLITSA-N 0 0 543.649 5.982 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000169680819 571556977 /nfs/dbraw/zinc/55/69/77/571556977.db2.gz NPUGASPDXRYGGI-PFBJBMPXSA-N 0 0 533.967 5.702 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224489876 571558530 /nfs/dbraw/zinc/55/85/30/571558530.db2.gz IZNSYWBXUQADEF-DQEYMECFSA-N 0 0 553.913 6.788 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224494912 571559884 /nfs/dbraw/zinc/55/98/84/571559884.db2.gz BJYXXBLLLDZPDH-SXOMAYOGSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1F ZINC000224495219 571559970 /nfs/dbraw/zinc/55/99/70/571559970.db2.gz BEXUPPJCFACCFF-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl ZINC000224495742 571560121 /nfs/dbraw/zinc/56/01/21/571560121.db2.gz QFNGNMMWFXTXPX-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Br ZINC000224496319 571560276 /nfs/dbraw/zinc/56/02/76/571560276.db2.gz ZSHYSJQVSNYVLZ-RPBOFIJWSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223845366 571560629 /nfs/dbraw/zinc/56/06/29/571560629.db2.gz CLBIIAPZCGVZBI-FQLXRVMXSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223845517 571560653 /nfs/dbraw/zinc/56/06/53/571560653.db2.gz CLBIIAPZCGVZBI-VMPREFPWSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224499027 571561017 /nfs/dbraw/zinc/56/10/17/571561017.db2.gz BPHUXLKVTMSLCC-LOSJGSFVSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224500629 571561521 /nfs/dbraw/zinc/56/15/21/571561521.db2.gz VGWLUDWBTPJESB-IAPPQJPRSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502030 571561706 /nfs/dbraw/zinc/56/17/06/571561706.db2.gz IHJLMEBOSKXCKZ-UIOOFZCWSA-N 0 0 567.940 7.091 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224502999 571562063 /nfs/dbraw/zinc/56/20/63/571562063.db2.gz DLBMAHSXSPGNSA-LOSJGSFVSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223858612 571562992 /nfs/dbraw/zinc/56/29/92/571562992.db2.gz RHSNGVKXQCSRLF-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223858961 571563023 /nfs/dbraw/zinc/56/30/23/571563023.db2.gz OTKDQCZKAYBDMP-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223858661 571563039 /nfs/dbraw/zinc/56/30/39/571563039.db2.gz RHSNGVKXQCSRLF-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223861409 571563589 /nfs/dbraw/zinc/56/35/89/571563589.db2.gz KBZLFXDPZVTZQE-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223863726 571563924 /nfs/dbraw/zinc/56/39/24/571563924.db2.gz RFMXGKOJQABNTC-FTJBHMTQSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224515082 571564286 /nfs/dbraw/zinc/56/42/86/571564286.db2.gz SBXSTXSTOYKZAV-RPBOFIJWSA-N 0 0 519.468 6.129 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224520497 571565352 /nfs/dbraw/zinc/56/53/52/571565352.db2.gz MGMFJRKRJWOLOC-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224521942 571565676 /nfs/dbraw/zinc/56/56/76/571565676.db2.gz BLDPLUUCXMSLMJ-FTJBHMTQSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224525443 571566624 /nfs/dbraw/zinc/56/66/24/571566624.db2.gz CSXPJTUGHJXSGG-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224525593 571566647 /nfs/dbraw/zinc/56/66/47/571566647.db2.gz CSXPJTUGHJXSGG-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224532455 571567933 /nfs/dbraw/zinc/56/79/33/571567933.db2.gz NOGARVIQCAYVMX-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224535125 571568592 /nfs/dbraw/zinc/56/85/92/571568592.db2.gz AKNZHZODCQZUGB-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224536636 571569112 /nfs/dbraw/zinc/56/91/12/571569112.db2.gz HVOLQUVUNMPWHR-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c1 ZINC000224536942 571569150 /nfs/dbraw/zinc/56/91/50/571569150.db2.gz AABAFHDCNCZHST-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224537057 571569223 /nfs/dbraw/zinc/56/92/23/571569223.db2.gz MHEQHHONGWYBHH-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224537492 571569225 /nfs/dbraw/zinc/56/92/25/571569225.db2.gz XTOHHGDUEYJKJE-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223897254 571570297 /nfs/dbraw/zinc/57/02/97/571570297.db2.gz CUXHSASXWKQSDS-SVBPBHIXSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223897152 571570339 /nfs/dbraw/zinc/57/03/39/571570339.db2.gz CUXHSASXWKQSDS-SXOMAYOGSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223899012 571570690 /nfs/dbraw/zinc/57/06/90/571570690.db2.gz POBYLUQAYVIJRA-URLMMPGGSA-N 0 0 510.711 5.798 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899142 571570879 /nfs/dbraw/zinc/57/08/79/571570879.db2.gz CGOHTPZQYXPRLP-FIRIVFDPSA-N 0 0 538.765 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223900995 571571127 /nfs/dbraw/zinc/57/11/27/571571127.db2.gz ACTHEIMSCJQVJZ-PQHLKRTFSA-N 0 0 509.723 6.658 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223901450 571571215 /nfs/dbraw/zinc/57/12/15/571571215.db2.gz JKZNUFUOAXROPD-VSGBNLITSA-N 0 0 542.665 5.649 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000205796248 571571345 /nfs/dbraw/zinc/57/13/45/571571345.db2.gz SVEPMZFMJZEQOS-AFUMVMLFSA-N 0 0 576.546 6.467 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902440 571571538 /nfs/dbraw/zinc/57/15/38/571571538.db2.gz XLPWVNHFVFNBES-IZLXSDGUSA-N 0 0 532.113 6.394 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000206208117 571572322 /nfs/dbraw/zinc/57/23/22/571572322.db2.gz OHIOLSYUCPYFCT-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000206884696 571573084 /nfs/dbraw/zinc/57/30/84/571573084.db2.gz CXFFKEYCVMNSMT-PXLXIMEGSA-N 0 0 569.502 5.973 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000207099707 571573292 /nfs/dbraw/zinc/57/32/92/571573292.db2.gz GOAPSCRYZURUPW-NSIKDUERSA-N 0 0 624.219 5.218 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21 ZINC000208255830 571573692 /nfs/dbraw/zinc/57/36/92/571573692.db2.gz AAXKGPWXOGFHIE-YYLUKMIBSA-N 0 0 502.011 5.876 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000208326267 571573864 /nfs/dbraw/zinc/57/38/64/571573864.db2.gz IFVLDMFTSRSFEZ-MGKUZBKYSA-N 0 0 521.683 6.181 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C2=O)cc1 ZINC000208511886 571574630 /nfs/dbraw/zinc/57/46/30/571574630.db2.gz FHXVNLQQSPHRNW-IWIPYMOSSA-N 0 0 505.640 5.782 40 10 KKCBRN CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208511550 571574675 /nfs/dbraw/zinc/57/46/75/571574675.db2.gz USDSWLJTPBNMGT-XKZIYDEJSA-N 0 0 540.483 6.146 40 10 KKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)S2)cc1 ZINC000208526938 571574679 /nfs/dbraw/zinc/57/46/79/571574679.db2.gz XKCLYBUAGHDUSZ-UCQKPKSFSA-N 0 0 511.416 6.812 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000208646773 571574692 /nfs/dbraw/zinc/57/46/92/571574692.db2.gz WLYXMMKNQMGLHJ-NHDPSOOVSA-N 0 0 523.960 7.483 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000224560691 571574791 /nfs/dbraw/zinc/57/47/91/571574791.db2.gz FUHCSNWLQYJALE-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN CCCN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)SC1=S ZINC000208655238 571574825 /nfs/dbraw/zinc/57/48/25/571574825.db2.gz VTABCFRXDXDHPF-ODLFYWEKSA-N 0 0 512.531 6.416 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223917342 571575025 /nfs/dbraw/zinc/57/50/25/571575025.db2.gz LUXKQYQMHAJNST-NSOVKSMOSA-N 0 0 525.678 5.519 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208730386 571575067 /nfs/dbraw/zinc/57/50/67/571575067.db2.gz PYJCOYOPHFDFIL-ZDLGFXPLSA-N 0 0 521.801 6.677 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000208715683 571575071 /nfs/dbraw/zinc/57/50/71/571575071.db2.gz WRSJFIOFHXGMIX-ITYLOYPMSA-N 0 0 513.640 7.463 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208721676 571575090 /nfs/dbraw/zinc/57/50/90/571575090.db2.gz NFGCAIKDBICIKV-QFEZKATASA-N 0 0 630.507 8.615 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208709161 571575104 /nfs/dbraw/zinc/57/51/04/571575104.db2.gz FNBLJZIOIQUCDE-NKVSQWTQSA-N 0 0 626.337 7.658 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000224567922 571576387 /nfs/dbraw/zinc/57/63/87/571576387.db2.gz DOYFDYLQYSZRSD-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000224570046 571576965 /nfs/dbraw/zinc/57/69/65/571576965.db2.gz KIDMXCWUPLFYBD-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000223931590 571577784 /nfs/dbraw/zinc/57/77/84/571577784.db2.gz CBPVUPUSPDIWQP-IHLOFXLRSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 ZINC000223931223 571577804 /nfs/dbraw/zinc/57/78/04/571577804.db2.gz SUZQEDAJRGXTGQ-VMPREFPWSA-N 0 0 509.679 5.503 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000223931656 571577837 /nfs/dbraw/zinc/57/78/37/571577837.db2.gz CBPVUPUSPDIWQP-XZWHSSHBSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000223933536 571578294 /nfs/dbraw/zinc/57/82/94/571578294.db2.gz QPATWKOXXUWIHT-WDYNHAJCSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1O ZINC000223935001 571578546 /nfs/dbraw/zinc/57/85/46/571578546.db2.gz MYGGDTABBCJRAI-FQLXRVMXSA-N 0 0 525.678 5.208 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223935567 571578671 /nfs/dbraw/zinc/57/86/71/571578671.db2.gz CQZZBROAPRRBQH-XZWHSSHBSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223935742 571578685 /nfs/dbraw/zinc/57/86/85/571578685.db2.gz FKHZNBXNCOIDJK-IHLOFXLRSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223939682 571579638 /nfs/dbraw/zinc/57/96/38/571579638.db2.gz REBFDMDIELTQKL-IHLOFXLRSA-N 0 0 584.702 5.420 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223941046 571579888 /nfs/dbraw/zinc/57/98/88/571579888.db2.gz NQZIVTYOYMPMNU-CDZUIXILSA-N 0 0 551.760 6.374 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000223941793 571580072 /nfs/dbraw/zinc/58/00/72/571580072.db2.gz IXOURXMZZORQFX-VMPREFPWSA-N 0 0 524.694 5.206 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000223941289 571580080 /nfs/dbraw/zinc/58/00/80/571580080.db2.gz ARPFHQMSMFMUKM-VMPREFPWSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000224582642 571580209 /nfs/dbraw/zinc/58/02/09/571580209.db2.gz RCKOAWPOKUFXQW-UHFFFAOYSA-N 0 0 527.690 5.858 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1 ZINC000224587130 571581126 /nfs/dbraw/zinc/58/11/26/571581126.db2.gz ZOYGATKSBWEIHG-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c(OCc2ccccc2)c1 ZINC000214861920 571581583 /nfs/dbraw/zinc/58/15/83/571581583.db2.gz VERUJVVMOLWKQP-NDZAJKAJSA-N 0 0 522.670 7.502 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214923920 571581899 /nfs/dbraw/zinc/58/18/99/571581899.db2.gz XJKGLVVODFJOGK-VULFUBBASA-N 0 0 639.528 6.458 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592575 571582404 /nfs/dbraw/zinc/58/24/04/571582404.db2.gz ZNMOILCAKVZCRW-VMPREFPWSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224601812 571584192 /nfs/dbraw/zinc/58/41/92/571584192.db2.gz CPQMABGERWPBIB-RPBOFIJWSA-N 0 0 508.569 6.391 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223962737 571584704 /nfs/dbraw/zinc/58/47/04/571584704.db2.gz IJCRDVIJTFQWRG-SVBPBHIXSA-N 0 0 532.113 6.502 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223974241 571586750 /nfs/dbraw/zinc/58/67/50/571586750.db2.gz VNRBXNBNOBMYFV-SVBPBHIXSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223974293 571586760 /nfs/dbraw/zinc/58/67/60/571586760.db2.gz VNRBXNBNOBMYFV-SXOMAYOGSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223974355 571586773 /nfs/dbraw/zinc/58/67/73/571586773.db2.gz VNRBXNBNOBMYFV-RRPNLBNLSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223974719 571586899 /nfs/dbraw/zinc/58/68/99/571586899.db2.gz CEQJHTUEVSMVID-SVBPBHIXSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223974875 571586946 /nfs/dbraw/zinc/58/69/46/571586946.db2.gz CEQJHTUEVSMVID-KAYWLYCHSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223974763 571586976 /nfs/dbraw/zinc/58/69/76/571586976.db2.gz CEQJHTUEVSMVID-SXOMAYOGSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223977789 571587673 /nfs/dbraw/zinc/58/76/73/571587673.db2.gz BVJYKOVXBSYCMT-SVBPBHIXSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000223978871 571587841 /nfs/dbraw/zinc/58/78/41/571587841.db2.gz JLUUGDYUFZFGSC-LMSSTIIKSA-N 0 0 509.679 6.241 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224631532 571590863 /nfs/dbraw/zinc/59/08/63/571590863.db2.gz DQWFIXKJMYRWNE-IOWSJCHKSA-N 0 0 567.114 7.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224634666 571591449 /nfs/dbraw/zinc/59/14/49/571591449.db2.gz RGWHWHSZJIKORX-GPOMZPHUSA-N 0 0 566.730 8.612 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000224636529 571591952 /nfs/dbraw/zinc/59/19/52/571591952.db2.gz XBQUAHBEMVJSRR-FIRIVFDPSA-N 0 0 534.660 7.598 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224636159 571591987 /nfs/dbraw/zinc/59/19/87/571591987.db2.gz CMUCUKKVGKBXQR-CZNDPXEESA-N 0 0 544.724 8.021 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224636426 571592006 /nfs/dbraw/zinc/59/20/06/571592006.db2.gz KODZNWLNPLSXLD-JHOUSYSJSA-N 0 0 544.724 8.021 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224637424 571592310 /nfs/dbraw/zinc/59/23/10/571592310.db2.gz ITOWKMRIMGZOFB-IOWSJCHKSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000224637769 571592361 /nfs/dbraw/zinc/59/23/61/571592361.db2.gz UMFMMIRCXGVASC-JSOSNVBQSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224637914 571592402 /nfs/dbraw/zinc/59/24/02/571592402.db2.gz YNFMSJBULJLBNO-FIRIVFDPSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224640562 571592972 /nfs/dbraw/zinc/59/29/72/571592972.db2.gz MHJDUXZJPWIZRY-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224641236 571593120 /nfs/dbraw/zinc/59/31/20/571593120.db2.gz VRYJGICUTCYJQJ-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224641572 571593323 /nfs/dbraw/zinc/59/33/23/571593323.db2.gz XGNVHTABIUIBSC-CWTKIQHKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224643592 571593604 /nfs/dbraw/zinc/59/36/04/571593604.db2.gz CDWOXIZEPASZMN-CONSDPRKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1O ZINC000224006999 571594054 /nfs/dbraw/zinc/59/40/54/571594054.db2.gz FVKVQKCBROENEW-FTJBHMTQSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1O ZINC000224006945 571594102 /nfs/dbraw/zinc/59/41/02/571594102.db2.gz FVKVQKCBROENEW-CLJLJLNGSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl ZINC000224017374 571595926 /nfs/dbraw/zinc/59/59/26/571595926.db2.gz FZJGOSUCGHEDEV-IZZNHLLZSA-N 0 0 537.472 6.702 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl ZINC000224017319 571595927 /nfs/dbraw/zinc/59/59/27/571595927.db2.gz FZJGOSUCGHEDEV-FTJBHMTQSA-N 0 0 537.472 6.702 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224018764 571596288 /nfs/dbraw/zinc/59/62/88/571596288.db2.gz REYCSMNPVOHCHI-RRPNLBNLSA-N 0 0 512.591 5.124 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1C ZINC000224019899 571596381 /nfs/dbraw/zinc/59/63/81/571596381.db2.gz PZRKCZXILLYDMR-RRPNLBNLSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224019325 571596400 /nfs/dbraw/zinc/59/64/00/571596400.db2.gz KFVMFHBJVKTUGJ-KAYWLYCHSA-N 0 0 543.605 5.312 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224655150 571596533 /nfs/dbraw/zinc/59/65/33/571596533.db2.gz WGRVDJKDUMMXKN-CONSDPRKSA-N 0 0 532.669 7.159 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020540 571596540 /nfs/dbraw/zinc/59/65/40/571596540.db2.gz YEARDGUFYUFSIV-SXOMAYOGSA-N 0 0 543.605 5.312 40 10 KKCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224024392 571597246 /nfs/dbraw/zinc/59/72/46/571597246.db2.gz BLBOJNBAPSJQMZ-UHFFFAOYSA-N 0 0 530.090 5.097 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224669256 571599323 /nfs/dbraw/zinc/59/93/23/571599323.db2.gz JVZHOGYBWKKLSS-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(F)c1 ZINC000224670321 571599573 /nfs/dbraw/zinc/59/95/73/571599573.db2.gz OMRNZAUFDGNIHE-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224670880 571599675 /nfs/dbraw/zinc/59/96/75/571599675.db2.gz NQSNBVRFJNGMLD-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1Cl ZINC000224670579 571599696 /nfs/dbraw/zinc/59/96/96/571599696.db2.gz VREOGOTZVKRTRB-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000224042173 571600710 /nfs/dbraw/zinc/60/07/10/571600710.db2.gz WNWDXIKKFZTPES-IZLXSDGUSA-N 0 0 583.585 7.222 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224675497 571600898 /nfs/dbraw/zinc/60/08/98/571600898.db2.gz BSTJAXKUKOFDOO-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000224043685 571600963 /nfs/dbraw/zinc/60/09/63/571600963.db2.gz PSKSSPHKPAAXTN-SVBPBHIXSA-N 0 0 534.085 5.740 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676756 571601120 /nfs/dbraw/zinc/60/11/20/571601120.db2.gz VASQOFXHWLRMFU-OQBISYOISA-N 0 0 572.778 8.638 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224676918 571601139 /nfs/dbraw/zinc/60/11/39/571601139.db2.gz IKKCHVFESCEFQH-ROJLCIKYSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224046030 571601371 /nfs/dbraw/zinc/60/13/71/571601371.db2.gz ZVRDGGZYCWLGEY-NSOVKSMOSA-N 0 0 583.541 6.704 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224051076 571602330 /nfs/dbraw/zinc/60/23/30/571602330.db2.gz WYXFOKTULUEMRV-WDYNHAJCSA-N 0 0 547.124 6.653 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224051805 571602361 /nfs/dbraw/zinc/60/23/61/571602361.db2.gz KHQOGORLAOMNFY-IHLOFXLRSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224051128 571602365 /nfs/dbraw/zinc/60/23/65/571602365.db2.gz WYXFOKTULUEMRV-URLMMPGGSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224053055 571602674 /nfs/dbraw/zinc/60/26/74/571602674.db2.gz WHMHEKDTWCQEDB-WUFINQPMSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000224055110 571603109 /nfs/dbraw/zinc/60/31/09/571603109.db2.gz GTVIYLSYOFKDNU-WDYNHAJCSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224056035 571603311 /nfs/dbraw/zinc/60/33/11/571603311.db2.gz TVRZMBFGJRFQBQ-IHLOFXLRSA-N 0 0 576.166 6.411 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224058248 571603789 /nfs/dbraw/zinc/60/37/89/571603789.db2.gz XJQSCYHUJDJKEB-IGYGKHONSA-N 0 0 575.178 7.270 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224059799 571604259 /nfs/dbraw/zinc/60/42/59/571604259.db2.gz MZVWFKHWHCUOEX-VMPREFPWSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224059560 571604283 /nfs/dbraw/zinc/60/42/83/571604283.db2.gz CSJQGSDKOVHEGF-VMPREFPWSA-N 0 0 597.568 7.007 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)cc1 ZINC000224689466 571604843 /nfs/dbraw/zinc/60/48/43/571604843.db2.gz LTCYWRAWXATSRQ-ACHIHNKUSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224694374 571605893 /nfs/dbraw/zinc/60/58/93/571605893.db2.gz AQTULHKAIBQVIH-MPQUPPDSSA-N 0 0 615.803 7.604 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000224074736 571606733 /nfs/dbraw/zinc/60/67/33/571606733.db2.gz STZKZZSVVWHIDG-VSGBNLITSA-N 0 0 549.096 6.045 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000224075131 571606785 /nfs/dbraw/zinc/60/67/85/571606785.db2.gz MVAWDUXXOKGLDM-URLMMPGGSA-N 0 0 591.133 6.131 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000224075543 571606829 /nfs/dbraw/zinc/60/68/29/571606829.db2.gz PLRBZRUZYKCKOA-WDYNHAJCSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224702159 571606840 /nfs/dbraw/zinc/60/68/40/571606840.db2.gz WDJBUJUYHFUOPE-XDSPJLLDSA-N 0 0 580.757 8.920 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224703829 571606881 /nfs/dbraw/zinc/60/68/81/571606881.db2.gz YOQISCSTIQBLCL-SZAHLOSFSA-N 0 0 558.751 8.329 40 10 KKCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224704904 571607009 /nfs/dbraw/zinc/60/70/09/571607009.db2.gz BEEIRSVBFVUAFT-CABCVRRESA-N 0 0 554.525 5.373 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1O ZINC000224706098 571607078 /nfs/dbraw/zinc/60/70/78/571607078.db2.gz MLDJVJHVNJTZMH-AJQTZOPKSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224706712 571607087 /nfs/dbraw/zinc/60/70/87/571607087.db2.gz YUFPKQFOJVKTTR-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224706262 571607139 /nfs/dbraw/zinc/60/71/39/571607139.db2.gz MPUJVUNOPBVOAD-ZWXJPIIXSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224080157 571607183 /nfs/dbraw/zinc/60/71/83/571607183.db2.gz LDCJXZNGJNXDBC-JHOUSYSJSA-N 0 0 608.812 6.406 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224708038 571607375 /nfs/dbraw/zinc/60/73/75/571607375.db2.gz JSMMWVJPINHNMK-ROJLCIKYSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224708891 571607571 /nfs/dbraw/zinc/60/75/71/571607571.db2.gz GWKIAJFWMRLGDS-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccn1 ZINC000224082880 571607654 /nfs/dbraw/zinc/60/76/54/571607654.db2.gz KYYXZZDYXWGLGW-NSOVKSMOSA-N 0 0 524.694 5.964 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710460 571607908 /nfs/dbraw/zinc/60/79/08/571607908.db2.gz HEPLIYKOZZKMGW-CZNDPXEESA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224710154 571607933 /nfs/dbraw/zinc/60/79/33/571607933.db2.gz OIZCAQIKLIEHQI-JHOUSYSJSA-N 0 0 579.169 8.729 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224711012 571608131 /nfs/dbraw/zinc/60/81/31/571608131.db2.gz IVFVYTXVZUUVQQ-LRHLLKFHSA-N 0 0 572.778 8.638 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000224089132 571608300 /nfs/dbraw/zinc/60/83/00/571608300.db2.gz NALHCVIUYYWBBH-UHFFFAOYSA-N 0 0 505.684 5.190 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224090153 571608516 /nfs/dbraw/zinc/60/85/16/571608516.db2.gz BVCMUVGYGMRQNN-XZWHSSHBSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224091362 571608621 /nfs/dbraw/zinc/60/86/21/571608621.db2.gz YTZWZJKIMXTKFH-VMPREFPWSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224092170 571608819 /nfs/dbraw/zinc/60/88/19/571608819.db2.gz MLVYLHLIROHODO-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224092694 571608850 /nfs/dbraw/zinc/60/88/50/571608850.db2.gz YXXWOXMVZSFQGS-URLMMPGGSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224092997 571608920 /nfs/dbraw/zinc/60/89/20/571608920.db2.gz DICTWYGRAYXMAO-VMPREFPWSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1O ZINC000224093070 571608935 /nfs/dbraw/zinc/60/89/35/571608935.db2.gz XNORSWSSRFVLKR-FQLXRVMXSA-N 0 0 539.705 6.275 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224093794 571609082 /nfs/dbraw/zinc/60/90/82/571609082.db2.gz JQRPKOYTYWPUKZ-IHLOFXLRSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224094748 571609146 /nfs/dbraw/zinc/60/91/46/571609146.db2.gz VNDGOOPXOOEYKL-IOWSJCHKSA-N 0 0 566.775 6.635 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224095172 571609238 /nfs/dbraw/zinc/60/92/38/571609238.db2.gz FWHBQWXFBQKEOW-WDYNHAJCSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224095954 571609373 /nfs/dbraw/zinc/60/93/73/571609373.db2.gz ITVXUEJAWHGKQA-CONSDPRKSA-N 0 0 551.760 7.186 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224097370 571609604 /nfs/dbraw/zinc/60/96/04/571609604.db2.gz BPRVGPAHBLUPOG-KYJUHHDHSA-N 0 0 598.729 6.486 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098621 571609826 /nfs/dbraw/zinc/60/98/26/571609826.db2.gz SSUARLQMWKRPQD-XLJNKUFUSA-N 0 0 565.787 7.440 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224113942 571611420 /nfs/dbraw/zinc/61/14/20/571611420.db2.gz CZZAADQYBUUZFG-LOYHVIPDSA-N 0 0 581.742 6.356 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224113814 571611491 /nfs/dbraw/zinc/61/14/91/571611491.db2.gz FUNVLYRBTUOMPD-XZWHSSHBSA-N 0 0 581.742 6.356 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224113780 571611503 /nfs/dbraw/zinc/61/15/03/571611503.db2.gz AMXNDBIKJDFHPT-UHFFFAOYSA-N 0 0 576.162 6.820 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000224729476 571611850 /nfs/dbraw/zinc/61/18/50/571611850.db2.gz SOJQOHNMLWKZSK-ACHIHNKUSA-N 0 0 562.739 7.691 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 ZINC000224731090 571612106 /nfs/dbraw/zinc/61/21/06/571612106.db2.gz JOBVEADDGNZAJA-FIRIVFDPSA-N 0 0 547.684 6.862 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 ZINC000224739177 571612677 /nfs/dbraw/zinc/61/26/77/571612677.db2.gz NNZKKFANDIPHIV-AJQTZOPKSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4Br)c3C)cc2)cc1 ZINC000224739545 571612728 /nfs/dbraw/zinc/61/27/28/571612728.db2.gz AQSXXDYGRDJVME-ZWXJPIIXSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(OC)c4)c3C)cc2)cc1 ZINC000224741018 571612801 /nfs/dbraw/zinc/61/28/01/571612801.db2.gz KWHIKRSZRPHPLW-LQJZCPKCSA-N 0 0 576.722 7.476 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742376 571612921 /nfs/dbraw/zinc/61/29/21/571612921.db2.gz MNPOBURLXFFGFI-ZPGRZCPFSA-N 0 0 617.819 8.313 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)cc1 ZINC000224743638 571613046 /nfs/dbraw/zinc/61/30/46/571613046.db2.gz WYLGAHWNWDZZRP-KKLWWLSJSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)cc2)cc1 ZINC000224745294 571613209 /nfs/dbraw/zinc/61/32/09/571613209.db2.gz JQZGYYMUBQBWHK-LQJZCPKCSA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(C)n3-c3ccc(OC)cc3)cc2)cc1 ZINC000224757758 571614392 /nfs/dbraw/zinc/61/43/92/571614392.db2.gz WRSVFFWZRLHOKB-ROJLCIKYSA-N 0 0 562.695 7.167 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224771517 571615619 /nfs/dbraw/zinc/61/56/19/571615619.db2.gz HPLYVUACHAQXIH-ZWXJPIIXSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224774624 571615845 /nfs/dbraw/zinc/61/58/45/571615845.db2.gz KZRIATSULKDRJZ-JSOSNVBQSA-N 0 0 593.734 7.431 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224777457 571616088 /nfs/dbraw/zinc/61/60/88/571616088.db2.gz AZZYPLRJNKVVKA-ZWXJPIIXSA-N 0 0 621.744 7.454 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224777539 571616136 /nfs/dbraw/zinc/61/61/36/571616136.db2.gz AZZYPLRJNKVVKA-ACHIHNKUSA-N 0 0 621.744 7.454 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224778231 571616182 /nfs/dbraw/zinc/61/61/82/571616182.db2.gz OQQHINCKGLHRDH-ZWXJPIIXSA-N 0 0 652.758 7.642 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1ccccc1 ZINC000224791262 571617480 /nfs/dbraw/zinc/61/74/80/571617480.db2.gz KQHPYZNYZFZNRJ-XZWHSSHBSA-N 0 0 563.708 7.417 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224792008 571617539 /nfs/dbraw/zinc/61/75/39/571617539.db2.gz UYWARJAJCGDSFX-ZWXJPIIXSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c(OC)c1 ZINC000224805062 571618727 /nfs/dbraw/zinc/61/87/27/571618727.db2.gz OSNCHZPEVBAFNC-SVBPBHIXSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1 ZINC000224805698 571618768 /nfs/dbraw/zinc/61/87/68/571618768.db2.gz CECWOMNJTISPTC-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 ZINC000224806411 571618874 /nfs/dbraw/zinc/61/88/74/571618874.db2.gz JQRLDSRCOGXDPQ-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1 ZINC000224806658 571618895 /nfs/dbraw/zinc/61/88/95/571618895.db2.gz UOBGFWPOSVDYSE-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000224806812 571618916 /nfs/dbraw/zinc/61/89/16/571618916.db2.gz OPOFNDKVDRMNGI-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000224806858 571618922 /nfs/dbraw/zinc/61/89/22/571618922.db2.gz OPOFNDKVDRMNGI-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c(OC)c1 ZINC000224807837 571619008 /nfs/dbraw/zinc/61/90/08/571619008.db2.gz RTYGHAGSERSEGH-RRPNLBNLSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 ZINC000224810687 571619249 /nfs/dbraw/zinc/61/92/49/571619249.db2.gz ORZMPTAXXYJGRS-VSGBNLITSA-N 0 0 528.634 5.412 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c(OC)c1 ZINC000224810750 571619253 /nfs/dbraw/zinc/61/92/53/571619253.db2.gz WMKKBLFRXRXKII-JDXGNMNLSA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(OC)c1 ZINC000224810988 571619313 /nfs/dbraw/zinc/61/93/13/571619313.db2.gz MROZECQZLWFBRI-IZLXSDGUSA-N 0 0 533.097 6.645 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224812365 571619466 /nfs/dbraw/zinc/61/94/66/571619466.db2.gz DLVBKEAYJRGNNZ-DGPALRBDSA-N 0 0 526.706 6.554 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224824592 571620674 /nfs/dbraw/zinc/62/06/74/571620674.db2.gz JMONUKSXYDTUCV-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1 ZINC000224838461 571622105 /nfs/dbraw/zinc/62/21/05/571622105.db2.gz PQRSYMOSIDIWHO-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224838358 571622109 /nfs/dbraw/zinc/62/21/09/571622109.db2.gz LDNHABKALLTGIT-URLMMPGGSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224839782 571622240 /nfs/dbraw/zinc/62/22/40/571622240.db2.gz CUBROXQDTAAMFD-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 ZINC000224842570 571622452 /nfs/dbraw/zinc/62/24/52/571622452.db2.gz RQNFSEGSDJDFJG-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1 ZINC000224842458 571622468 /nfs/dbraw/zinc/62/24/68/571622468.db2.gz OCUAWRQKZGBYGZ-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224843731 571622550 /nfs/dbraw/zinc/62/25/50/571622550.db2.gz WZWFARMOVHYAHD-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224844222 571622589 /nfs/dbraw/zinc/62/25/89/571622589.db2.gz XAHFIWDDCPWPHP-WUFINQPMSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224844025 571622602 /nfs/dbraw/zinc/62/26/02/571622602.db2.gz LXKAKISSIDUQCI-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224844672 571622615 /nfs/dbraw/zinc/62/26/15/571622615.db2.gz NWPLZZYWMCIAAT-VSGBNLITSA-N 0 0 549.096 6.345 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224856720 571623762 /nfs/dbraw/zinc/62/37/62/571623762.db2.gz IJXIXYUDPFVFHB-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1 ZINC000224869955 571625093 /nfs/dbraw/zinc/62/50/93/571625093.db2.gz KRXSPTNDUUNACK-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224871207 571625243 /nfs/dbraw/zinc/62/52/43/571625243.db2.gz WNVWZJGGHBLTKW-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1 ZINC000224871063 571625248 /nfs/dbraw/zinc/62/52/48/571625248.db2.gz VJGQGVVHCFEPPK-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872524 571625405 /nfs/dbraw/zinc/62/54/05/571625405.db2.gz WGJOBBWNKLUFNT-LOSJGSFVSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cc(C)cc1C ZINC000224873510 571625541 /nfs/dbraw/zinc/62/55/41/571625541.db2.gz QPYVFNCHJDYRGA-IXCJQBJRSA-N 0 0 517.098 6.951 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cc(C)cc1C ZINC000224873596 571625557 /nfs/dbraw/zinc/62/55/57/571625557.db2.gz QPYVFNCHJDYRGA-XTEPFMGCSA-N 0 0 517.098 6.951 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224874166 571625587 /nfs/dbraw/zinc/62/55/87/571625587.db2.gz MLOUFHZTASOQJR-UIOOFZCWSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224873881 571625627 /nfs/dbraw/zinc/62/56/27/571625627.db2.gz DXYSTJGKTYNWBR-CLJLJLNGSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874816 571625639 /nfs/dbraw/zinc/62/56/39/571625639.db2.gz PMDCVJDCLKMZHL-IZZNHLLZSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874570 571625667 /nfs/dbraw/zinc/62/56/67/571625667.db2.gz LQUITENKAIZQHZ-CLJLJLNGSA-N 0 0 539.488 6.687 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224889966 571627138 /nfs/dbraw/zinc/62/71/38/571627138.db2.gz BGHSPEROQAJRCF-CLJLJLNGSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224898124 571627912 /nfs/dbraw/zinc/62/79/12/571627912.db2.gz LOWOORYAJMUULG-IZZNHLLZSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224898082 571627934 /nfs/dbraw/zinc/62/79/34/571627934.db2.gz LOWOORYAJMUULG-FTJBHMTQSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224899982 571628146 /nfs/dbraw/zinc/62/81/46/571628146.db2.gz XGTSSDFPMPFHHA-CLJLJLNGSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224901864 571628286 /nfs/dbraw/zinc/62/82/86/571628286.db2.gz HTRLEKHZYUWSRM-UIOOFZCWSA-N 0 0 525.480 7.421 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224901921 571628349 /nfs/dbraw/zinc/62/83/49/571628349.db2.gz NORHVXLXPMHMTN-CLJLJLNGSA-N 0 0 525.480 7.421 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904267 571628493 /nfs/dbraw/zinc/62/84/93/571628493.db2.gz UEMYAWVQJIHTCC-SVBPBHIXSA-N 0 0 531.613 6.031 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904187 571628504 /nfs/dbraw/zinc/62/85/04/571628504.db2.gz UEMYAWVQJIHTCC-SXOMAYOGSA-N 0 0 531.613 6.031 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1 ZINC000224915669 571629511 /nfs/dbraw/zinc/62/95/11/571629511.db2.gz JDRKZGRQYLAFMZ-KAYWLYCHSA-N 0 0 514.626 5.900 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224916005 571629524 /nfs/dbraw/zinc/62/95/24/571629524.db2.gz LQWGKIKYEBRWNY-KAYWLYCHSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1Br ZINC000224920806 571630072 /nfs/dbraw/zinc/63/00/72/571630072.db2.gz PADIZXVDRCWAAN-UIOOFZCWSA-N 0 0 567.984 7.615 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224923855 571630422 /nfs/dbraw/zinc/63/04/22/571630422.db2.gz DLRUODWNIUDGBX-FTJBHMTQSA-N 0 0 567.940 7.096 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224926726 571630726 /nfs/dbraw/zinc/63/07/26/571630726.db2.gz WBPZZQVWMZDTTG-IHLOFXLRSA-N 0 0 567.556 7.890 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224927837 571630860 /nfs/dbraw/zinc/63/08/60/571630860.db2.gz BXGZSAIBWQCORP-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224928214 571630921 /nfs/dbraw/zinc/63/09/21/571630921.db2.gz ZWRUHPCOSARMOC-NSOVKSMOSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224930303 571631116 /nfs/dbraw/zinc/63/11/16/571631116.db2.gz FUZXLWBVBPOKAZ-UIOOFZCWSA-N 0 0 533.495 6.443 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1O ZINC000224930132 571631125 /nfs/dbraw/zinc/63/11/25/571631125.db2.gz CZXVYWHIRKFTJA-UIOOFZCWSA-N 0 0 533.495 6.443 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224930580 571631147 /nfs/dbraw/zinc/63/11/47/571631147.db2.gz CLTCLOBJRDOLMC-SXOMAYOGSA-N 0 0 547.522 6.746 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224931991 571631263 /nfs/dbraw/zinc/63/12/63/571631263.db2.gz LLERKOUIMFAXDQ-WUFINQPMSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224932333 571631313 /nfs/dbraw/zinc/63/13/13/571631313.db2.gz UJPKIUQVIOYSHC-XTEPFMGCSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224934405 571631516 /nfs/dbraw/zinc/63/15/16/571631516.db2.gz OYECIHJNQCNVGX-FTJBHMTQSA-N 0 0 532.511 6.441 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224945761 571632624 /nfs/dbraw/zinc/63/26/24/571632624.db2.gz JSPCHHFOMDREGV-SVBPBHIXSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224953385 571633353 /nfs/dbraw/zinc/63/33/53/571633353.db2.gz LZUZGKXYIPVSGS-FTJBHMTQSA-N 0 0 539.488 6.687 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224957107 571633671 /nfs/dbraw/zinc/63/36/71/571633671.db2.gz HNSZLADXENJHMB-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224958576 571633849 /nfs/dbraw/zinc/63/38/49/571633849.db2.gz PEEZCFUMVFMUTA-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224961688 571634179 /nfs/dbraw/zinc/63/41/79/571634179.db2.gz PQSJLEMHAHSVJF-XCZPVHLTSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224961602 571634214 /nfs/dbraw/zinc/63/42/14/571634214.db2.gz BIFGNNYEIHOCQO-WUFINQPMSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224962129 571634274 /nfs/dbraw/zinc/63/42/74/571634274.db2.gz ZNGUPAXNSTWLSD-RRPNLBNLSA-N 0 0 533.053 6.057 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224963439 571634396 /nfs/dbraw/zinc/63/43/96/571634396.db2.gz WEZTZFVFSXKUMI-SVBPBHIXSA-N 0 0 564.067 6.245 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000224980613 571635823 /nfs/dbraw/zinc/63/58/23/571635823.db2.gz NKZGXQBXPPSPLA-KYJUHHDHSA-N 0 0 557.167 6.951 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224986414 571636493 /nfs/dbraw/zinc/63/64/93/571636493.db2.gz WWYHWQFKXBXHSQ-LQJZCPKCSA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224987803 571636672 /nfs/dbraw/zinc/63/66/72/571636672.db2.gz KEXFLWQJGSQFEX-CONSDPRKSA-N 0 0 635.075 8.318 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224988743 571636747 /nfs/dbraw/zinc/63/67/47/571636747.db2.gz KLNSYHYBNLOJDU-ZWXJPIIXSA-N 0 0 586.205 7.565 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224988704 571636775 /nfs/dbraw/zinc/63/67/75/571636775.db2.gz KLNSYHYBNLOJDU-ROJLCIKYSA-N 0 0 586.205 7.565 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989613 571636885 /nfs/dbraw/zinc/63/68/85/571636885.db2.gz CIMZTTXDSFUCPH-OIDHKYIRSA-N 0 0 627.302 8.402 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224991444 571637134 /nfs/dbraw/zinc/63/71/34/571637134.db2.gz FYBMSFXZFLOEAL-AJQTZOPKSA-N 0 0 631.202 7.473 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992103 571637190 /nfs/dbraw/zinc/63/71/90/571637190.db2.gz WSVFXDPSSYJFAY-AJQTZOPKSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224992536 571637210 /nfs/dbraw/zinc/63/72/10/571637210.db2.gz LCFGCDOHKORODG-LOYHVIPDSA-N 0 0 571.194 7.259 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000225002826 571638252 /nfs/dbraw/zinc/63/82/52/571638252.db2.gz CQQWQXDXMGIVAQ-ZWXJPIIXSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225006793 571638522 /nfs/dbraw/zinc/63/85/22/571638522.db2.gz ULPVCMUYWMFCAP-IZLXSDGUSA-N 0 0 501.700 5.241 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225035310 571640899 /nfs/dbraw/zinc/64/08/99/571640899.db2.gz MEFPACBZBGXPSR-ROJLCIKYSA-N 0 0 566.775 5.800 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225044878 571641649 /nfs/dbraw/zinc/64/16/49/571641649.db2.gz LJPQPGNSTLINHX-NSOVKSMOSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225045012 571641663 /nfs/dbraw/zinc/64/16/63/571641663.db2.gz HAQOQIDHSRLURK-WUFINQPMSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225047329 571641947 /nfs/dbraw/zinc/64/19/47/571641947.db2.gz RJNQTNKUXQADAL-PQHLKRTFSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225047204 571641949 /nfs/dbraw/zinc/64/19/49/571641949.db2.gz WHJBVZFEEWYBEU-IHLOFXLRSA-N 0 0 509.723 6.581 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225048395 571642023 /nfs/dbraw/zinc/64/20/23/571642023.db2.gz UJZVJXVKELDCMA-WDYNHAJCSA-N 0 0 556.692 5.881 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225048606 571642090 /nfs/dbraw/zinc/64/20/90/571642090.db2.gz XDYMUGZCNWZOOX-URLMMPGGSA-N 0 0 530.141 6.926 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225060343 571643046 /nfs/dbraw/zinc/64/30/46/571643046.db2.gz YFCJVFVMGPUFCX-URLMMPGGSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225063938 571643466 /nfs/dbraw/zinc/64/34/66/571643466.db2.gz MRTAVDPBQAPYQJ-JHOUSYSJSA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000225071573 571644121 /nfs/dbraw/zinc/64/41/21/571644121.db2.gz COCMUVUFXSFCGE-SZAHLOSFSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225073016 571644258 /nfs/dbraw/zinc/64/42/58/571644258.db2.gz OBCHOHFXIWHSAQ-JHOUSYSJSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000225073223 571644334 /nfs/dbraw/zinc/64/43/34/571644334.db2.gz VFFOIEGVFDABQK-LQJZCPKCSA-N 0 0 608.167 7.337 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225074469 571644403 /nfs/dbraw/zinc/64/44/03/571644403.db2.gz GDPPZTDYPJDXAY-NOCHOARKSA-N 0 0 603.748 6.692 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225075310 571644499 /nfs/dbraw/zinc/64/44/99/571644499.db2.gz RROSRKYGIGIANB-VSJLXWSYSA-N 0 0 616.791 6.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225075883 571644597 /nfs/dbraw/zinc/64/45/97/571644597.db2.gz QAIBLTRZMBTJRD-SAIUNTKASA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225075708 571644600 /nfs/dbraw/zinc/64/46/00/571644600.db2.gz NNTAFADNUUASGC-SAIUNTKASA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225076381 571644689 /nfs/dbraw/zinc/64/46/89/571644689.db2.gz YFBTYENJMFUQJC-VLZNPVHKSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225077163 571644725 /nfs/dbraw/zinc/64/47/25/571644725.db2.gz MCOICUNRFVTIKS-HEVIKAOCSA-N 0 0 622.194 7.646 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225077420 571644768 /nfs/dbraw/zinc/64/47/68/571644768.db2.gz VFWCRCGEPQFYLV-NOCHOARKSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077330 571644770 /nfs/dbraw/zinc/64/47/70/571644770.db2.gz UFCRXKMSTZVNCQ-HEVIKAOCSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078046 571644839 /nfs/dbraw/zinc/64/48/39/571644839.db2.gz YWKMJVGWETXZCA-KKLWWLSJSA-N 0 0 648.745 6.601 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000225078579 571644958 /nfs/dbraw/zinc/64/49/58/571644958.db2.gz CVRDLICWRBCSEU-ZWXJPIIXSA-N 0 0 588.737 6.387 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100418 571647202 /nfs/dbraw/zinc/64/72/02/571647202.db2.gz RLCGNVXRHWLHTJ-FQLXRVMXSA-N 0 0 553.732 6.659 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100565 571647225 /nfs/dbraw/zinc/64/72/25/571647225.db2.gz RUYWZWJLOHIFDA-XZWHSSHBSA-N 0 0 567.759 6.968 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225101256 571647306 /nfs/dbraw/zinc/64/73/06/571647306.db2.gz CTESSJHBZBBPHW-IOWSJCHKSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102096 571647341 /nfs/dbraw/zinc/64/73/41/571647341.db2.gz LVPGEZUYUOPDKI-URLMMPGGSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101827 571647347 /nfs/dbraw/zinc/64/73/47/571647347.db2.gz QOKYFRQKTQNJGW-FQLXRVMXSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101950 571647367 /nfs/dbraw/zinc/64/73/67/571647367.db2.gz PFNWGQRFLJZGOF-URLMMPGGSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225103621 571647570 /nfs/dbraw/zinc/64/75/70/571647570.db2.gz VLJYOSXTYCROMZ-XZWHSSHBSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106021 571647815 /nfs/dbraw/zinc/64/78/15/571647815.db2.gz UGIVTMZDRHTRCM-XZWHSSHBSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225106366 571647843 /nfs/dbraw/zinc/64/78/43/571647843.db2.gz UMWMZTDFIDZVRE-XZWHSSHBSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106504 571647859 /nfs/dbraw/zinc/64/78/59/571647859.db2.gz NOOIZTYQUTYWCW-IHLOFXLRSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107320 571647984 /nfs/dbraw/zinc/64/79/84/571647984.db2.gz JSNJDIQBGOXYNT-VMPREFPWSA-N 0 0 568.747 6.363 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225118718 571649209 /nfs/dbraw/zinc/64/92/09/571649209.db2.gz AQVPDQJHLIMNAZ-KYJUHHDHSA-N 0 0 611.768 6.446 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225130056 571650173 /nfs/dbraw/zinc/65/01/73/571650173.db2.gz CAWVGAPTMWXHSX-IHLOFXLRSA-N 0 0 572.178 7.477 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000225130224 571650210 /nfs/dbraw/zinc/65/02/10/571650210.db2.gz LKNLGMWZVAFALB-IZLXSDGUSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000225131398 571650270 /nfs/dbraw/zinc/65/02/70/571650270.db2.gz ZTRFYLKXCBWUEG-WUFINQPMSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225131494 571650304 /nfs/dbraw/zinc/65/03/04/571650304.db2.gz FSOVCUHPPDDERZ-VSGBNLITSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000225133553 571650431 /nfs/dbraw/zinc/65/04/31/571650431.db2.gz VUPMQRNVFCTPGL-KYJUHHDHSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000225133644 571650477 /nfs/dbraw/zinc/65/04/77/571650477.db2.gz ISTHEBHPGULBDY-IHLOFXLRSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225134303 571650538 /nfs/dbraw/zinc/65/05/38/571650538.db2.gz IVRMQRKOCZUBMA-IGYGKHONSA-N 0 0 586.205 7.839 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)cc1 ZINC000225145542 571651872 /nfs/dbraw/zinc/65/18/72/571651872.db2.gz KDZRBSONXMNBHN-VSGBNLITSA-N 0 0 560.123 6.614 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225146232 571651947 /nfs/dbraw/zinc/65/19/47/571651947.db2.gz CVXWWBYXTYNFBI-WDYNHAJCSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225157330 571653065 /nfs/dbraw/zinc/65/30/65/571653065.db2.gz YKKGKKYYACIUAO-URLMMPGGSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225157946 571653086 /nfs/dbraw/zinc/65/30/86/571653086.db2.gz QDZXQSVSHWXPNI-VMPREFPWSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225158245 571653153 /nfs/dbraw/zinc/65/31/53/571653153.db2.gz MBMYRCDMLYTLPF-FQLXRVMXSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1C ZINC000225160770 571653356 /nfs/dbraw/zinc/65/33/56/571653356.db2.gz VAAHVIIIPUVBTB-JHOUSYSJSA-N 0 0 580.802 7.169 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225162282 571653515 /nfs/dbraw/zinc/65/35/15/571653515.db2.gz CNFZOSVXALJHDX-KYJUHHDHSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C ZINC000225162008 571653516 /nfs/dbraw/zinc/65/35/16/571653516.db2.gz RVQTUUYWFFLKJK-XZWHSSHBSA-N 0 0 553.688 6.052 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225162394 571653521 /nfs/dbraw/zinc/65/35/21/571653521.db2.gz CNFZOSVXALJHDX-LOYHVIPDSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225163385 571653604 /nfs/dbraw/zinc/65/36/04/571653604.db2.gz ZCNFFDDRTDHNMM-XZWHSSHBSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225173807 571654506 /nfs/dbraw/zinc/65/45/06/571654506.db2.gz ROJIVAPDRHUTIG-FQLXRVMXSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225173728 571654517 /nfs/dbraw/zinc/65/45/17/571654517.db2.gz ROJIVAPDRHUTIG-WDYNHAJCSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225174364 571654551 /nfs/dbraw/zinc/65/45/51/571654551.db2.gz BHVPGTAHFVREDQ-IHLOFXLRSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1OC ZINC000225184458 571655643 /nfs/dbraw/zinc/65/56/43/571655643.db2.gz YLZSOOYRWMYOLL-SAIUNTKASA-N 0 0 575.738 7.177 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1OC ZINC000225185122 571655699 /nfs/dbraw/zinc/65/56/99/571655699.db2.gz MCEJQMWAUZFQTA-IHLOFXLRSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC ZINC000225187276 571655922 /nfs/dbraw/zinc/65/59/22/571655922.db2.gz PJVDZNSDERNUKJ-URLMMPGGSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC ZINC000225187314 571655956 /nfs/dbraw/zinc/65/59/56/571655956.db2.gz PJVDZNSDERNUKJ-FQLXRVMXSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OC ZINC000225188031 571656036 /nfs/dbraw/zinc/65/60/36/571656036.db2.gz FOGGGFCWIZTLMA-KYJUHHDHSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC ZINC000225189948 571656168 /nfs/dbraw/zinc/65/61/68/571656168.db2.gz IJUYMDCJQVOORS-CONSDPRKSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC ZINC000225189640 571656187 /nfs/dbraw/zinc/65/61/87/571656187.db2.gz APUHCRFYVVQVPM-JSOSNVBQSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC ZINC000225189766 571656195 /nfs/dbraw/zinc/65/61/95/571656195.db2.gz UACJMVYFXTWXRO-SMCANUKXSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC ZINC000225190551 571656314 /nfs/dbraw/zinc/65/63/14/571656314.db2.gz DPECNCLGOBCBLN-XZWHSSHBSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC ZINC000225191022 571656352 /nfs/dbraw/zinc/65/63/52/571656352.db2.gz SIYVOVVNROOEQP-IHLOFXLRSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1OC ZINC000225201873 571657397 /nfs/dbraw/zinc/65/73/97/571657397.db2.gz PFMVHZZHMVXEFQ-WUFINQPMSA-N 0 0 511.651 5.715 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1OC ZINC000225202612 571657497 /nfs/dbraw/zinc/65/74/97/571657497.db2.gz RUIXDKQDXXVKOL-LOYHVIPDSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000225215036 571658649 /nfs/dbraw/zinc/65/86/49/571658649.db2.gz XAZHXTUONYSBRE-VSGBNLITSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1 ZINC000225214662 571658652 /nfs/dbraw/zinc/65/86/52/571658652.db2.gz AHWJACQDLJJXNV-WUFINQPMSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000225215128 571658689 /nfs/dbraw/zinc/65/86/89/571658689.db2.gz SEFMZYQTGMICNQ-IZLXSDGUSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000225215547 571658748 /nfs/dbraw/zinc/65/87/48/571658748.db2.gz VVJXRBCPZFDQBK-VSGBNLITSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000225215842 571658761 /nfs/dbraw/zinc/65/87/61/571658761.db2.gz ARHZMMFXLDLPSI-WUFINQPMSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000225217932 571659018 /nfs/dbraw/zinc/65/90/18/571659018.db2.gz CVTBASQPXKJXCV-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000225218247 571659085 /nfs/dbraw/zinc/65/90/85/571659085.db2.gz GWMPTLZDUVONHI-DGPALRBDSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000225219978 571659262 /nfs/dbraw/zinc/65/92/62/571659262.db2.gz RYFSLJFNLSKUHX-URLMMPGGSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000225242670 571661795 /nfs/dbraw/zinc/66/17/95/571661795.db2.gz ZBEVLZBUBFNEMM-VSGBNLITSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000225246048 571662127 /nfs/dbraw/zinc/66/21/27/571662127.db2.gz QWTXATKFFKBKGI-LOYHVIPDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000225246133 571662178 /nfs/dbraw/zinc/66/21/78/571662178.db2.gz AVVUHBURZSITSG-WDYNHAJCSA-N 0 0 590.105 5.633 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000225247898 571662301 /nfs/dbraw/zinc/66/23/01/571662301.db2.gz REUGCNTWLNLMTR-SXOMAYOGSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000225262233 571663891 /nfs/dbraw/zinc/66/38/91/571663891.db2.gz AMJMACNWUTTWHY-VMPREFPWSA-N 0 0 576.166 6.437 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000225262265 571663915 /nfs/dbraw/zinc/66/39/15/571663915.db2.gz AMJMACNWUTTWHY-WDYNHAJCSA-N 0 0 576.166 6.437 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225267619 571664607 /nfs/dbraw/zinc/66/46/07/571664607.db2.gz WUGIWEMJXOBORE-IHLOFXLRSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225267652 571664625 /nfs/dbraw/zinc/66/46/25/571664625.db2.gz WUGIWEMJXOBORE-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225267735 571664641 /nfs/dbraw/zinc/66/46/41/571664641.db2.gz VHALIHZXWBEALM-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225269097 571664787 /nfs/dbraw/zinc/66/47/87/571664787.db2.gz YMPOXIZHTJKKSQ-FQLXRVMXSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225269701 571664847 /nfs/dbraw/zinc/66/48/47/571664847.db2.gz DZLRSRWZBRSHMP-FQLXRVMXSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225270433 571664961 /nfs/dbraw/zinc/66/49/61/571664961.db2.gz NBACDUAQUABRMR-XZWHSSHBSA-N 0 0 555.704 5.568 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271141 571665041 /nfs/dbraw/zinc/66/50/41/571665041.db2.gz NFYRIIMWOKKHPV-CZNDPXEESA-N 0 0 596.801 6.406 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225271564 571665089 /nfs/dbraw/zinc/66/50/89/571665089.db2.gz PJGMRNOWSAPSIF-URLMMPGGSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225272544 571665173 /nfs/dbraw/zinc/66/51/73/571665173.db2.gz KXKMMMVGURBFLP-BHYZAODMSA-N 0 0 567.759 6.485 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225272789 571665208 /nfs/dbraw/zinc/66/52/08/571665208.db2.gz ZFZUUJFPKPDDGK-LOYHVIPDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225274276 571665388 /nfs/dbraw/zinc/66/53/88/571665388.db2.gz AJQSQWRDOUNVIW-VMPREFPWSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1OC ZINC000225295406 571667853 /nfs/dbraw/zinc/66/78/53/571667853.db2.gz MUUXASTUZDLSPZ-WDYNHAJCSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1OC ZINC000225295556 571667862 /nfs/dbraw/zinc/66/78/62/571667862.db2.gz XUXMWTZIFVKXQQ-URLMMPGGSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1OC ZINC000225295819 571667866 /nfs/dbraw/zinc/66/78/66/571667866.db2.gz GVZKXOCMPKSLAU-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1OC ZINC000225298431 571668350 /nfs/dbraw/zinc/66/83/50/571668350.db2.gz AIDCVRDNMQJVJG-JSOSNVBQSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1OC ZINC000225299238 571668451 /nfs/dbraw/zinc/66/84/51/571668451.db2.gz LFXONIQNCMMIEE-XLJNKUFUSA-N 0 0 583.758 6.185 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1OC ZINC000225300230 571668577 /nfs/dbraw/zinc/66/85/77/571668577.db2.gz YBEJGKUJBDVISA-KYJUHHDHSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1OC ZINC000225300329 571668614 /nfs/dbraw/zinc/66/86/14/571668614.db2.gz YBEJGKUJBDVISA-LOYHVIPDSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)ccc1OC ZINC000225308974 571669709 /nfs/dbraw/zinc/66/97/09/571669709.db2.gz XASRUDVEJJLUJQ-IHLOFXLRSA-N 0 0 599.713 5.046 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)ccc1OC ZINC000225308947 571669718 /nfs/dbraw/zinc/66/97/18/571669718.db2.gz XASRUDVEJJLUJQ-KYJUHHDHSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NC(C)=O ZINC000225311900 571670436 /nfs/dbraw/zinc/67/04/36/571670436.db2.gz JNOLQYHLIHSRQS-IZLXSDGUSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NC(C)=O ZINC000225312105 571670526 /nfs/dbraw/zinc/67/05/26/571670526.db2.gz MEVFTXKEPGUVHZ-ROJLCIKYSA-N 0 0 596.757 5.470 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000260759789 571671222 /nfs/dbraw/zinc/67/12/22/571671222.db2.gz DUOBBCRHYZXJCO-RUZDIDTESA-N 0 0 533.738 5.997 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NC(C)=O ZINC000225318731 571672562 /nfs/dbraw/zinc/67/25/62/571672562.db2.gz LJLIDFRRZTUEFE-IZLXSDGUSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NC(C)=O ZINC000225319170 571672917 /nfs/dbraw/zinc/67/29/17/571672917.db2.gz OUJDOCYKHARVPK-WUFINQPMSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NC(C)=O ZINC000225319912 571674372 /nfs/dbraw/zinc/67/43/72/571674372.db2.gz PHJVUQALYAZBJZ-VSGBNLITSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320232 571675403 /nfs/dbraw/zinc/67/54/03/571675403.db2.gz PEZZYKYAGHCDHF-URLMMPGGSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NC(C)=O ZINC000225321756 571677250 /nfs/dbraw/zinc/67/72/50/571677250.db2.gz ZKNUKGKWIIKZJX-KYJUHHDHSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NC(C)=O ZINC000225322103 571677406 /nfs/dbraw/zinc/67/74/06/571677406.db2.gz FCCFWZYJFRWGFQ-VEEOACQBSA-N 0 0 553.732 6.559 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NC(C)=O ZINC000225321905 571677440 /nfs/dbraw/zinc/67/74/40/571677440.db2.gz MPFNQBLVWMGYAF-VMPREFPWSA-N 0 0 555.660 5.362 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NC(C)=O ZINC000225323463 571679566 /nfs/dbraw/zinc/67/95/66/571679566.db2.gz ASKXZEWLZVTBJG-NSOVKSMOSA-N 0 0 526.666 5.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NC(C)=O ZINC000225323841 571680020 /nfs/dbraw/zinc/68/00/20/571680020.db2.gz ZHDVMJOITLMBEK-WUFINQPMSA-N 0 0 526.666 5.337 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21 ZINC000225336972 571695164 /nfs/dbraw/zinc/69/51/64/571695164.db2.gz QRCDRJBOEUWTKN-VSGBNLITSA-N 0 0 533.141 7.331 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225339647 571698858 /nfs/dbraw/zinc/69/88/58/571698858.db2.gz FBLCNPAJTGNFIU-WUFINQPMSA-N 0 0 533.097 6.812 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225343490 571702924 /nfs/dbraw/zinc/70/29/24/571702924.db2.gz SEQGNROXCINALJ-XZWHSSHBSA-N 0 0 510.707 7.016 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225343579 571703068 /nfs/dbraw/zinc/70/30/68/571703068.db2.gz HYDCHMUHWZICRB-LOYHVIPDSA-N 0 0 510.707 7.016 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000225344227 571704136 /nfs/dbraw/zinc/70/41/36/571704136.db2.gz JGFVWFCUTFDIAO-NSOVKSMOSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225346127 571706346 /nfs/dbraw/zinc/70/63/46/571706346.db2.gz UUBOIICNCPAODA-LOYHVIPDSA-N 0 0 525.722 6.519 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225346987 571706854 /nfs/dbraw/zinc/70/68/54/571706854.db2.gz FKRKLWSMHBYMIO-IHLOFXLRSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225347752 571708456 /nfs/dbraw/zinc/70/84/56/571708456.db2.gz LUWGUQWOEBNSMF-FQLXRVMXSA-N 0 0 531.125 7.415 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225348095 571709019 /nfs/dbraw/zinc/70/90/19/571709019.db2.gz QEKIOUQVVMQODX-FQLXRVMXSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348741 571709708 /nfs/dbraw/zinc/70/97/08/571709708.db2.gz UWYGCEVWHVZFPK-FQLXRVMXSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348569 571709719 /nfs/dbraw/zinc/70/97/19/571709719.db2.gz DBAJMQDTORPENT-FQLXRVMXSA-N 0 0 547.124 7.115 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225359030 571720103 /nfs/dbraw/zinc/72/01/03/571720103.db2.gz VLCYMLTWEYPOTC-VMPREFPWSA-N 0 0 540.689 6.240 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225358998 571720162 /nfs/dbraw/zinc/72/01/62/571720162.db2.gz VLCYMLTWEYPOTC-URLMMPGGSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225362259 571724748 /nfs/dbraw/zinc/72/47/48/571724748.db2.gz WCCBCHLQHCHXKO-LOYHVIPDSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225369076 571734076 /nfs/dbraw/zinc/73/40/76/571734076.db2.gz CVPGOMGQJWCHMA-LOYHVIPDSA-N 0 0 576.688 8.006 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225369466 571734166 /nfs/dbraw/zinc/73/41/66/571734166.db2.gz GFGRTVLRXBTWFM-AJQTZOPKSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000225370035 571735122 /nfs/dbraw/zinc/73/51/22/571735122.db2.gz UTFUTPQYAWNBSU-IHLOFXLRSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225370720 571735674 /nfs/dbraw/zinc/73/56/74/571735674.db2.gz UFJHKIPLXQTIFQ-KYJUHHDHSA-N 0 0 587.587 7.750 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225371305 571736142 /nfs/dbraw/zinc/73/61/42/571736142.db2.gz YSEYGLUDCDCOEY-IOWSJCHKSA-N 0 0 538.717 6.996 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1O ZINC000225370922 571736195 /nfs/dbraw/zinc/73/61/95/571736195.db2.gz JMVMMEUYKXNKLZ-LOYHVIPDSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225372399 571737920 /nfs/dbraw/zinc/73/79/20/571737920.db2.gz KHZWVKNZTIQQID-LOYHVIPDSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225372845 571738519 /nfs/dbraw/zinc/73/85/19/571738519.db2.gz PFQMAYCJCDNBEA-XLJNKUFUSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225373885 571739637 /nfs/dbraw/zinc/73/96/37/571739637.db2.gz VHAAJLPSGORXLP-FIRIVFDPSA-N 0 0 557.163 7.949 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374421 571740529 /nfs/dbraw/zinc/74/05/29/571740529.db2.gz VVIGOZDQWCGSDT-CONSDPRKSA-N 0 0 583.714 6.904 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374530 571740594 /nfs/dbraw/zinc/74/05/94/571740594.db2.gz RHTPQMARNIISSY-CQTOTRCISA-N 0 0 550.772 7.858 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000260851059 571750590 /nfs/dbraw/zinc/75/05/90/571750590.db2.gz DBMUARHQNJUUIN-KAYWLYCHSA-N 0 0 598.194 5.924 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260851051 571750644 /nfs/dbraw/zinc/75/06/44/571750644.db2.gz CQWWPYGXCSPRJC-NSOVKSMOSA-N 0 0 529.685 5.854 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851127 571751412 /nfs/dbraw/zinc/75/14/12/571751412.db2.gz GOGWGMIQBQCLRE-FQLXRVMXSA-N 0 0 576.166 6.377 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260851122 571751478 /nfs/dbraw/zinc/75/14/78/571751478.db2.gz GFLVYDJIMDRNCJ-WUFINQPMSA-N 0 0 562.139 6.129 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1OC ZINC000260852488 571752785 /nfs/dbraw/zinc/75/27/85/571752785.db2.gz PPUFZXBIMHVHOF-URLMMPGGSA-N 0 0 541.721 6.248 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260852568 571752859 /nfs/dbraw/zinc/75/28/59/571752859.db2.gz RZYZPQZUBHPGJT-WUFINQPMSA-N 0 0 511.695 5.715 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260852553 571753000 /nfs/dbraw/zinc/75/30/00/571753000.db2.gz RNJNFSOJHRMMQA-URLMMPGGSA-N 0 0 560.167 6.676 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21 ZINC000260852521 571753008 /nfs/dbraw/zinc/75/30/08/571753008.db2.gz QRCDRJBOEUWTKN-WUFINQPMSA-N 0 0 533.141 7.331 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21 ZINC000260852666 571753439 /nfs/dbraw/zinc/75/34/39/571753439.db2.gz WEEZSWKSEHWYJH-SVBPBHIXSA-N 0 0 532.113 5.978 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225389731 571758657 /nfs/dbraw/zinc/75/86/57/571758657.db2.gz AMFDMZCXAVGZPE-FTJBHMTQSA-N 0 0 568.124 5.397 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225393785 571762824 /nfs/dbraw/zinc/76/28/24/571762824.db2.gz SNRROXYFJFQGNZ-RRPNLBNLSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225395241 571764399 /nfs/dbraw/zinc/76/43/99/571764399.db2.gz PIMIPXFKDRANMT-IZZNHLLZSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225395766 571764841 /nfs/dbraw/zinc/76/48/41/571764841.db2.gz ANBGEEUWJPEFMH-IZZNHLLZSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225395861 571765430 /nfs/dbraw/zinc/76/54/30/571765430.db2.gz XMBQQVILERWGIK-CLJLJLNGSA-N 0 0 596.576 5.800 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 ZINC000225396525 571766183 /nfs/dbraw/zinc/76/61/83/571766183.db2.gz NDFWZOIQRGZNRN-SVBPBHIXSA-N 0 0 547.706 5.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397600 571767678 /nfs/dbraw/zinc/76/76/78/571767678.db2.gz XODCTZSMTAFCBX-KYJUHHDHSA-N 0 0 588.803 5.884 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1C ZINC000225398080 571767818 /nfs/dbraw/zinc/76/78/18/571767818.db2.gz LSCPHTTYRFZVRT-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cccc1C ZINC000225398480 571768123 /nfs/dbraw/zinc/76/81/23/571768123.db2.gz OLWYKBHMWAGCJN-XTEPFMGCSA-N 0 0 545.734 5.655 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000225417856 571785211 /nfs/dbraw/zinc/78/52/11/571785211.db2.gz QPQKGLBOJAMLLO-SVBPBHIXSA-N 0 0 563.749 5.271 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NS(C)(=O)=O ZINC000225420973 571788381 /nfs/dbraw/zinc/78/83/81/571788381.db2.gz YFJJSIFPEIXQFZ-RRPNLBNLSA-N 0 0 598.150 5.405 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NS(C)(=O)=O ZINC000225425410 571791586 /nfs/dbraw/zinc/79/15/86/571791586.db2.gz QNTOMNGWLMOERT-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NS(C)(=O)=O ZINC000225425528 571791872 /nfs/dbraw/zinc/79/18/72/571791872.db2.gz QNTOMNGWLMOERT-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426223 571792238 /nfs/dbraw/zinc/79/22/38/571792238.db2.gz VGAOGDDXJXNAIB-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426611 571792822 /nfs/dbraw/zinc/79/28/22/571792822.db2.gz ORVKOEKJMMVIFM-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426723 571793611 /nfs/dbraw/zinc/79/36/11/571793611.db2.gz ORVKOEKJMMVIFM-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429571 571796890 /nfs/dbraw/zinc/79/68/90/571796890.db2.gz QORJCYVSKGCVEM-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429525 571797118 /nfs/dbraw/zinc/79/71/18/571797118.db2.gz QORJCYVSKGCVEM-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NS(C)(=O)=O ZINC000225431266 571798794 /nfs/dbraw/zinc/79/87/94/571798794.db2.gz SMCJFULAOUJGQR-IZLXSDGUSA-N 0 0 612.177 5.708 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431645 571799407 /nfs/dbraw/zinc/79/94/07/571799407.db2.gz ZFGKCQBXHVDVHA-MFMCTBQISA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC000225452706 571823863 /nfs/dbraw/zinc/82/38/63/571823863.db2.gz WOOMOOBICDHWPB-SVBPBHIXSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C ZINC000225452819 571824435 /nfs/dbraw/zinc/82/44/35/571824435.db2.gz LFIAEPGSROMQQD-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000225454233 571825719 /nfs/dbraw/zinc/82/57/19/571825719.db2.gz LHVJKHMWJHPTOS-SXOMAYOGSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Br ZINC000225454684 571826069 /nfs/dbraw/zinc/82/60/69/571826069.db2.gz WUTLOWQPFCBZGC-KAYWLYCHSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225455600 571827025 /nfs/dbraw/zinc/82/70/25/571827025.db2.gz LIIMSZWJOLTPHR-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456561 571828188 /nfs/dbraw/zinc/82/81/88/571828188.db2.gz BJKAXWGKQORDHK-CONSDPRKSA-N 0 0 602.830 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225457009 571828723 /nfs/dbraw/zinc/82/87/23/571828723.db2.gz JXPMNRJFODYGAW-VMPREFPWSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225456980 571828778 /nfs/dbraw/zinc/82/87/78/571828778.db2.gz JXPMNRJFODYGAW-URLMMPGGSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225457222 571829148 /nfs/dbraw/zinc/82/91/48/571829148.db2.gz ANHCEASDDYSABP-XRKRLSELSA-N 0 0 559.761 5.963 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458322 571829983 /nfs/dbraw/zinc/82/99/83/571829983.db2.gz CMIIOXLMUGEDOV-VSGBNLITSA-N 0 0 596.178 6.008 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225458791 571830422 /nfs/dbraw/zinc/83/04/22/571830422.db2.gz DFMNGRGYOZDBDR-KAYWLYCHSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000260909982 571836632 /nfs/dbraw/zinc/83/66/32/571836632.db2.gz BIFRWAYSIDXLAL-HBFWWTAJSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000225468183 571839369 /nfs/dbraw/zinc/83/93/69/571839369.db2.gz IITHIACCXDQNMO-SXOMAYOGSA-N 0 0 547.706 5.046 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225468832 571839634 /nfs/dbraw/zinc/83/96/34/571839634.db2.gz KXRKMNGBSFNTAW-IZLXSDGUSA-N 0 0 589.743 5.133 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225468870 571839663 /nfs/dbraw/zinc/83/96/63/571839663.db2.gz KXRKMNGBSFNTAW-WUFINQPMSA-N 0 0 589.743 5.133 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225468747 571839754 /nfs/dbraw/zinc/83/97/54/571839754.db2.gz UHYVIMXGYFVIJA-NSOVKSMOSA-N 0 0 589.743 5.133 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000260912281 571841607 /nfs/dbraw/zinc/84/16/07/571841607.db2.gz FLZBIWRDKRMRBN-GNIPUNEXSA-N 0 0 598.260 8.419 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NS(C)(=O)=O ZINC000225473198 571843083 /nfs/dbraw/zinc/84/30/83/571843083.db2.gz NHUXYZFWZYHOEJ-SXOMAYOGSA-N 0 0 563.749 5.271 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000260914378 571844390 /nfs/dbraw/zinc/84/43/90/571844390.db2.gz GNAAZCGNKCFEDD-PUZWTLIVSA-N 0 0 500.590 5.659 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl ZINC000260916161 571847727 /nfs/dbraw/zinc/84/77/27/571847727.db2.gz HVOPPSOHSSWQET-UOKFIYJESA-N 0 0 501.483 5.947 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260916492 571848580 /nfs/dbraw/zinc/84/85/80/571848580.db2.gz JCEMHSTUEWODJH-RRPNLBNLSA-N 0 0 503.115 7.106 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NS(C)(=O)=O ZINC000225478471 571848654 /nfs/dbraw/zinc/84/86/54/571848654.db2.gz BFBSIXBWZUYCQO-IOWSJCHKSA-N 0 0 597.766 6.200 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225479329 571849579 /nfs/dbraw/zinc/84/95/79/571849579.db2.gz HXVCDNHPJWLRHL-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225479772 571849963 /nfs/dbraw/zinc/84/99/63/571849963.db2.gz OEMINCLPDDPBPH-FQLXRVMXSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NS(C)(=O)=O ZINC000225480114 571850554 /nfs/dbraw/zinc/85/05/54/571850554.db2.gz PXSAYYACWBEFRP-SXOMAYOGSA-N 0 0 565.696 5.185 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21 ZINC000260917906 571851032 /nfs/dbraw/zinc/85/10/32/571851032.db2.gz JVVQVHITVZZDRS-RPBOFIJWSA-N 0 0 525.505 6.903 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260919744 571853668 /nfs/dbraw/zinc/85/36/68/571853668.db2.gz NIPLOHOYPJETKD-BJUYILBYSA-N 0 0 634.677 8.464 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225483127 571853801 /nfs/dbraw/zinc/85/38/01/571853801.db2.gz TYOPADAZRTVFPF-WDYNHAJCSA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000260924199 571862248 /nfs/dbraw/zinc/86/22/48/571862248.db2.gz RZVXVCQKYSKXCS-ANZJYSQBSA-N 0 0 598.260 8.419 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260925602 571865108 /nfs/dbraw/zinc/86/51/08/571865108.db2.gz WBCHKMNVQBLXRJ-GUOKZPHASA-N 0 0 612.287 8.673 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000260925659 571865213 /nfs/dbraw/zinc/86/52/13/571865213.db2.gz WMBQEASUZVILEW-XTOBZSLNSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225502820 571872745 /nfs/dbraw/zinc/87/27/45/571872745.db2.gz HETBSCRTCCTDER-JSOSNVBQSA-N 0 0 531.685 6.254 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225504852 571875112 /nfs/dbraw/zinc/87/51/12/571875112.db2.gz RVKIAIMBRNQDAX-SVBPBHIXSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225505456 571876066 /nfs/dbraw/zinc/87/60/66/571876066.db2.gz NUOQOVWHYMWOPT-SVBPBHIXSA-N 0 0 560.521 5.863 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506096 571876362 /nfs/dbraw/zinc/87/63/62/571876362.db2.gz AJHGXLBALHQASL-VSGBNLITSA-N 0 0 511.651 5.109 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506868 571877524 /nfs/dbraw/zinc/87/75/24/571877524.db2.gz GVVFBGHZUDTUEQ-JSOSNVBQSA-N 0 0 552.748 5.947 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225507381 571878571 /nfs/dbraw/zinc/87/85/71/571878571.db2.gz XUZCGHHFAGKWJK-VMPREFPWSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225522101 571890976 /nfs/dbraw/zinc/89/09/76/571890976.db2.gz AXPNOELXSGTNMK-AJQTZOPKSA-N 0 0 580.758 5.327 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000225528632 571895409 /nfs/dbraw/zinc/89/54/09/571895409.db2.gz LPWNDELBNTWVTC-NSOVKSMOSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225528862 571895499 /nfs/dbraw/zinc/89/54/99/571895499.db2.gz ZQIYOQWCLNKZBX-NSOVKSMOSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225529209 571896121 /nfs/dbraw/zinc/89/61/21/571896121.db2.gz MTEVXVFFYBVFNG-WUFINQPMSA-N 0 0 574.548 6.253 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225529572 571896402 /nfs/dbraw/zinc/89/64/02/571896402.db2.gz JAHJDOOMPRMQJL-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O ZINC000225529411 571896528 /nfs/dbraw/zinc/89/65/28/571896528.db2.gz AZELFJURCTZRKZ-NSOVKSMOSA-N 0 0 511.651 5.196 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531214 571898364 /nfs/dbraw/zinc/89/83/64/571898364.db2.gz FRSMQUZKQNWICC-FQLXRVMXSA-N 0 0 570.675 5.407 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225539986 571905374 /nfs/dbraw/zinc/90/53/74/571905374.db2.gz QLCYMVYNPDYGQJ-URLMMPGGSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225548397 571911449 /nfs/dbraw/zinc/91/14/49/571911449.db2.gz FLEBYIKQHFAVMK-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225549174 571912027 /nfs/dbraw/zinc/91/20/27/571912027.db2.gz HWKQMSMINGJTGV-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225549139 571912074 /nfs/dbraw/zinc/91/20/74/571912074.db2.gz HWKQMSMINGJTGV-KYJUHHDHSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225549241 571912109 /nfs/dbraw/zinc/91/21/09/571912109.db2.gz HWKQMSMINGJTGV-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225550174 571912636 /nfs/dbraw/zinc/91/26/36/571912636.db2.gz REZMUUXCONBPCB-KYJUHHDHSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225549954 571912726 /nfs/dbraw/zinc/91/27/26/571912726.db2.gz CKFTZNOFKXCPIQ-XZWHSSHBSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225550067 571912736 /nfs/dbraw/zinc/91/27/36/571912736.db2.gz HKONKJUTMLTGNX-IHLOFXLRSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225551758 571914527 /nfs/dbraw/zinc/91/45/27/571914527.db2.gz NJZJWTJNCPFJHT-ACHIHNKUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000225551892 571915005 /nfs/dbraw/zinc/91/50/05/571915005.db2.gz OBHPNCQUCPEZSQ-CDZUIXILSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225552526 571915454 /nfs/dbraw/zinc/91/54/54/571915454.db2.gz MRDKOTRULMLWTE-IOWSJCHKSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225552260 571915490 /nfs/dbraw/zinc/91/54/90/571915490.db2.gz UWZIQXOZJYJNDO-FIRIVFDPSA-N 0 0 567.715 5.782 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225553260 571916072 /nfs/dbraw/zinc/91/60/72/571916072.db2.gz ATPIVBJSGFETFW-FIRIVFDPSA-N 0 0 588.177 6.715 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225553393 571916225 /nfs/dbraw/zinc/91/62/25/571916225.db2.gz PNYNGCDLFJGDIQ-FIRIVFDPSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000225561845 571924015 /nfs/dbraw/zinc/92/40/15/571924015.db2.gz QCSGGKLYOAPZPJ-FIRIVFDPSA-N 0 0 581.742 5.839 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000225561930 571924031 /nfs/dbraw/zinc/92/40/31/571924031.db2.gz IJRFUQPVLYLCFK-IOWSJCHKSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C ZINC000225569667 571931811 /nfs/dbraw/zinc/93/18/11/571931811.db2.gz JHUHPRBTTMJZLG-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225570201 571931921 /nfs/dbraw/zinc/93/19/21/571931921.db2.gz APPDSYAPYHOJPK-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1F ZINC000225570366 571931955 /nfs/dbraw/zinc/93/19/55/571931955.db2.gz ZUNBREMQQFWIRE-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225573559 571934266 /nfs/dbraw/zinc/93/42/66/571934266.db2.gz IFBCTOWQUSQWET-XLJNKUFUSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574385 571934753 /nfs/dbraw/zinc/93/47/53/571934753.db2.gz LZTHPAVUECOSRC-IHLOFXLRSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ncccc1C ZINC000225574881 571935096 /nfs/dbraw/zinc/93/50/96/571935096.db2.gz RBAFOOOJNAJTGX-VSGBNLITSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000225586124 571944315 /nfs/dbraw/zinc/94/43/15/571944315.db2.gz WLEXCXNLMDVFKF-RRPNLBNLSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000225586056 571944445 /nfs/dbraw/zinc/94/44/45/571944445.db2.gz WLEXCXNLMDVFKF-KAYWLYCHSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225587442 571945352 /nfs/dbraw/zinc/94/53/52/571945352.db2.gz JZCIESLBFXGEHU-IZLXSDGUSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000225590164 571946610 /nfs/dbraw/zinc/94/66/10/571946610.db2.gz CGSZBEUCLRTEQU-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225590749 571946978 /nfs/dbraw/zinc/94/69/78/571946978.db2.gz SRRIYWLWPZPQHB-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225590606 571947091 /nfs/dbraw/zinc/94/70/91/571947091.db2.gz MJBICSNVHJJENA-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225591415 571947232 /nfs/dbraw/zinc/94/72/32/571947232.db2.gz AYUZVWFXVIBLAE-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000225591684 571947650 /nfs/dbraw/zinc/94/76/50/571947650.db2.gz ZQDHIAYUMCBCSH-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225591811 571947689 /nfs/dbraw/zinc/94/76/89/571947689.db2.gz YEXLKWHRUKHBQZ-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225591783 571947735 /nfs/dbraw/zinc/94/77/35/571947735.db2.gz YEXLKWHRUKHBQZ-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593256 571948737 /nfs/dbraw/zinc/94/87/37/571948737.db2.gz IGTLKEPOHADLKE-ACHIHNKUSA-N 0 0 584.765 6.476 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225593733 571949352 /nfs/dbraw/zinc/94/93/52/571949352.db2.gz FPWWWONUEVNYLA-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225594557 571949927 /nfs/dbraw/zinc/94/99/27/571949927.db2.gz ZCVGCNUCSBYJQN-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225594758 571950041 /nfs/dbraw/zinc/95/00/41/571950041.db2.gz ZGCPUMRIYWVKCA-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225595539 571950675 /nfs/dbraw/zinc/95/06/75/571950675.db2.gz IIGUBJGGIUFVHM-VSGBNLITSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225603227 571956756 /nfs/dbraw/zinc/95/67/56/571956756.db2.gz NUHXOGCIONIDQD-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225603000 571956838 /nfs/dbraw/zinc/95/68/38/571956838.db2.gz VTYAQUSPGYKBOB-WUFINQPMSA-N 0 0 529.641 5.330 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225603445 571957167 /nfs/dbraw/zinc/95/71/67/571957167.db2.gz RBZPHSRTGHSIES-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1 ZINC000225607630 571959893 /nfs/dbraw/zinc/95/98/93/571959893.db2.gz YFMUDKUDKDODIO-KAYWLYCHSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1O ZINC000225608891 571960916 /nfs/dbraw/zinc/96/09/16/571960916.db2.gz FEZJKDQQHXLSRV-IZLXSDGUSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000225610672 571962631 /nfs/dbraw/zinc/96/26/31/571962631.db2.gz SIEINTBFOVUBRT-VSGBNLITSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C ZINC000225610741 571962904 /nfs/dbraw/zinc/96/29/04/571962904.db2.gz SDCZDUBFQYRYOP-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC000225610871 571962981 /nfs/dbraw/zinc/96/29/81/571962981.db2.gz IYQUYAFMFKSYCM-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC000225610812 571963024 /nfs/dbraw/zinc/96/30/24/571963024.db2.gz IYQUYAFMFKSYCM-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl ZINC000225611765 571963680 /nfs/dbraw/zinc/96/36/80/571963680.db2.gz NKXKJWNTXHIFMX-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl ZINC000225611839 571963813 /nfs/dbraw/zinc/96/38/13/571963813.db2.gz NKXKJWNTXHIFMX-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225612860 571964657 /nfs/dbraw/zinc/96/46/57/571964657.db2.gz CKWOFIIPNFOYKD-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1C ZINC000225613944 571965032 /nfs/dbraw/zinc/96/50/32/571965032.db2.gz SLQAZLLABCBCHY-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1C ZINC000225615045 571965977 /nfs/dbraw/zinc/96/59/77/571965977.db2.gz LQFNITZBXLIOHQ-WDYNHAJCSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225622011 571972356 /nfs/dbraw/zinc/97/23/56/571972356.db2.gz JGMUVVPEADVKDF-IZLXSDGUSA-N 0 0 529.641 5.330 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225622278 571972860 /nfs/dbraw/zinc/97/28/60/571972860.db2.gz OKICZPVZYFGOQA-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225622210 571972910 /nfs/dbraw/zinc/97/29/10/571972910.db2.gz VIPFWRCCVDFNSO-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225622401 571973317 /nfs/dbraw/zinc/97/33/17/571973317.db2.gz JLZFMOGNWKCTPW-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccn1 ZINC000225625788 571977329 /nfs/dbraw/zinc/97/73/29/571977329.db2.gz FLJXMMUJRQVKRB-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225629047 571980816 /nfs/dbraw/zinc/98/08/16/571980816.db2.gz ATHBSDONGLUPSB-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225629722 571982019 /nfs/dbraw/zinc/98/20/19/571982019.db2.gz TWHHMLJOTPXLCK-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225630400 571982366 /nfs/dbraw/zinc/98/23/66/571982366.db2.gz RFVVBTQZUYMIPC-KYJUHHDHSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1C ZINC000225631669 571983657 /nfs/dbraw/zinc/98/36/57/571983657.db2.gz RTHDUDAVFPTPSX-AJQTZOPKSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225631494 571983663 /nfs/dbraw/zinc/98/36/63/571983663.db2.gz CEHWYNQKCBQOIQ-KYJUHHDHSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cccc1C ZINC000225631882 571984155 /nfs/dbraw/zinc/98/41/55/571984155.db2.gz VWXVQSQLGNVBPK-XDFJSJKPSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225632538 571984529 /nfs/dbraw/zinc/98/45/29/571984529.db2.gz OGWWFMIJQLFRJP-JSOSNVBQSA-N 0 0 598.729 6.024 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632422 571984653 /nfs/dbraw/zinc/98/46/53/571984653.db2.gz LVEYIVWFMUJUPV-JSOSNVBQSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 ZINC000225638943 571990528 /nfs/dbraw/zinc/99/05/28/571990528.db2.gz ZUNAMTPCPZHBDX-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225647928 571996897 /nfs/dbraw/zinc/99/68/97/571996897.db2.gz JHUHJWPFTUBBNP-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1O ZINC000225648076 571996920 /nfs/dbraw/zinc/99/69/20/571996920.db2.gz XKCOIZIQHAGTJI-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225647854 571996955 /nfs/dbraw/zinc/99/69/55/571996955.db2.gz JHUHJWPFTUBBNP-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225649282 571998122 /nfs/dbraw/zinc/99/81/22/571998122.db2.gz UCUQYIHEALMSQU-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225649581 571998211 /nfs/dbraw/zinc/99/82/11/571998211.db2.gz BFZXBXXZHULKFM-VEEOACQBSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650115 571998490 /nfs/dbraw/zinc/99/84/90/571998490.db2.gz VEBFDUMJBWBPFI-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225650058 571998594 /nfs/dbraw/zinc/99/85/94/571998594.db2.gz IYNONTTYZTUGPU-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225649854 571998599 /nfs/dbraw/zinc/99/85/99/571998599.db2.gz MZZZUBHIXOKLEW-XZWHSSHBSA-N 0 0 553.688 5.528 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650680 571999196 /nfs/dbraw/zinc/99/91/96/571999196.db2.gz GIQDKRDPHPQADS-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650813 571999247 /nfs/dbraw/zinc/99/92/47/571999247.db2.gz HIEBYBBGVDIIGY-CDZUIXILSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225650945 571999359 /nfs/dbraw/zinc/99/93/59/571999359.db2.gz HALRQFYZASGGIL-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ncccc1C ZINC000225651038 571999400 /nfs/dbraw/zinc/99/94/00/571999400.db2.gz KFZADVMPGMWAHS-WUFINQPMSA-N 0 0 524.694 5.502 40 10 KKCBRN C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225656456 572003708 /nfs/dbraw/zinc/00/37/08/572003708.db2.gz XXMWOHNTYKGUNK-HSZRJFAPSA-N 0 0 513.751 7.499 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)cc1 ZINC000225657525 572004310 /nfs/dbraw/zinc/00/43/10/572004310.db2.gz GTANBXFTZHAIIB-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225657813 572004369 /nfs/dbraw/zinc/00/43/69/572004369.db2.gz KIVCLUFHRMYMFN-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225657940 572004436 /nfs/dbraw/zinc/00/44/36/572004436.db2.gz OOYDDYUHPXMNGE-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225657721 572004472 /nfs/dbraw/zinc/00/44/72/572004472.db2.gz BCRDSYDMAKKWEV-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225666984 572009300 /nfs/dbraw/zinc/00/93/00/572009300.db2.gz YRXYSNUMLHDHOG-VMPREFPWSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225666427 572009445 /nfs/dbraw/zinc/00/94/45/572009445.db2.gz GEBGVPIHOYPGGA-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000225668240 572010335 /nfs/dbraw/zinc/01/03/35/572010335.db2.gz XPJPUSREMVNERQ-CONSDPRKSA-N 0 0 568.747 5.565 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225668567 572010852 /nfs/dbraw/zinc/01/08/52/572010852.db2.gz DCZCDHCAGIALGD-URLMMPGGSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225669649 572011157 /nfs/dbraw/zinc/01/11/57/572011157.db2.gz KGXGASRFFBAZSO-KYJUHHDHSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225670731 572012432 /nfs/dbraw/zinc/01/24/32/572012432.db2.gz DZRYSCBTOLGUDZ-VSGBNLITSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000225677529 572016805 /nfs/dbraw/zinc/01/68/05/572016805.db2.gz CPXLMFDHWTYFTC-IZLXSDGUSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225678004 572017240 /nfs/dbraw/zinc/01/72/40/572017240.db2.gz BHSPJDXOQVGOJJ-XZWHSSHBSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225682881 572020015 /nfs/dbraw/zinc/02/00/15/572020015.db2.gz MKVBLXVPGUXMDE-FQLXRVMXSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225684752 572021186 /nfs/dbraw/zinc/02/11/86/572021186.db2.gz DTIVIIPTCIXVJF-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225685388 572021506 /nfs/dbraw/zinc/02/15/06/572021506.db2.gz OQHHWWJTKIUNEG-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225685336 572021623 /nfs/dbraw/zinc/02/16/23/572021623.db2.gz OQHHWWJTKIUNEG-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225685526 572021958 /nfs/dbraw/zinc/02/19/58/572021958.db2.gz IAOLEHHZSNIZLQ-VMPREFPWSA-N 0 0 577.676 6.818 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225685593 572021964 /nfs/dbraw/zinc/02/19/64/572021964.db2.gz LPXJQVJXQFIEJK-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225685500 572021968 /nfs/dbraw/zinc/02/19/68/572021968.db2.gz IAOLEHHZSNIZLQ-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(F)c1 ZINC000225685878 572022438 /nfs/dbraw/zinc/02/24/38/572022438.db2.gz CBMJHJVLBSUPPV-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(F)c1 ZINC000225685896 572022493 /nfs/dbraw/zinc/02/24/93/572022493.db2.gz CBMJHJVLBSUPPV-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Br ZINC000225686286 572022779 /nfs/dbraw/zinc/02/27/79/572022779.db2.gz CQCBSQBJNWQHEO-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225686375 572022922 /nfs/dbraw/zinc/02/29/22/572022922.db2.gz VGNXPEAPWAJETI-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225686813 572023181 /nfs/dbraw/zinc/02/31/81/572023181.db2.gz KLYKMLBQRXPBAK-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225687287 572023586 /nfs/dbraw/zinc/02/35/86/572023586.db2.gz BUINOWHHAYBONM-CONSDPRKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225687459 572023688 /nfs/dbraw/zinc/02/36/88/572023688.db2.gz OJUCWHSHNMXCRD-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1C ZINC000225687741 572023898 /nfs/dbraw/zinc/02/38/98/572023898.db2.gz HUXGUKXMVWLJKT-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689090 572024730 /nfs/dbraw/zinc/02/47/30/572024730.db2.gz AEOPTVHFMLZXHT-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225688802 572024768 /nfs/dbraw/zinc/02/47/68/572024768.db2.gz NPJOFLXILAGOBO-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225688712 572024854 /nfs/dbraw/zinc/02/48/54/572024854.db2.gz OVYZJENEHAZNRO-KYJUHHDHSA-N 0 0 584.702 5.716 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225696741 572029247 /nfs/dbraw/zinc/02/92/47/572029247.db2.gz VBTFEBYUPSTSHE-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc2ccccc21 ZINC000225703567 572034307 /nfs/dbraw/zinc/03/43/07/572034307.db2.gz BOJHJNAGRPZVQV-LQFQNGICSA-N 0 0 595.772 7.797 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(F)(F)F ZINC000225704361 572035160 /nfs/dbraw/zinc/03/51/60/572035160.db2.gz ZHQZXJPNHZWYEC-ROJLCIKYSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(F)c1 ZINC000225704889 572035661 /nfs/dbraw/zinc/03/56/61/572035661.db2.gz FVWNESBMQVWZAN-ACHIHNKUSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Br)c1 ZINC000225705485 572035936 /nfs/dbraw/zinc/03/59/36/572035936.db2.gz XWNIBFGIVOMKQF-ROJLCIKYSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000225705282 572035975 /nfs/dbraw/zinc/03/59/75/572035975.db2.gz SGIYNITVEGBRPE-ZWXJPIIXSA-N 0 0 580.157 7.297 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706078 572036194 /nfs/dbraw/zinc/03/61/94/572036194.db2.gz ZDJQKKSZGCIJNO-CZNDPXEESA-N 0 0 575.738 6.652 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000225705652 572036223 /nfs/dbraw/zinc/03/62/23/572036223.db2.gz VAKJYWMCVPIUFQ-AJQTZOPKSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000225705623 572036382 /nfs/dbraw/zinc/03/63/82/572036382.db2.gz VAKJYWMCVPIUFQ-ZWXJPIIXSA-N 0 0 624.608 7.406 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225706568 572036652 /nfs/dbraw/zinc/03/66/52/572036652.db2.gz HCVZKLGMMZBXPU-NOCHOARKSA-N 0 0 588.781 6.710 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225706615 572036838 /nfs/dbraw/zinc/03/68/38/572036838.db2.gz HCVZKLGMMZBXPU-HEVIKAOCSA-N 0 0 588.781 6.710 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000225706827 572037252 /nfs/dbraw/zinc/03/72/52/572037252.db2.gz XZKFGPFARPHANT-AJQTZOPKSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225707453 572037474 /nfs/dbraw/zinc/03/74/74/572037474.db2.gz CCXYNMIDHSLVLZ-CZNDPXEESA-N 0 0 589.721 6.372 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cc(C)cc1C ZINC000225707629 572037616 /nfs/dbraw/zinc/03/76/16/572037616.db2.gz CEAGWZJVWADBAH-QWOOXDRHSA-N 0 0 587.793 7.569 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cn1 ZINC000225708902 572038779 /nfs/dbraw/zinc/03/87/79/572038779.db2.gz GVLHPWTZSAMFSU-ACHIHNKUSA-N 0 0 560.727 6.347 40 10 KKCBRN O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225788486 572068653 /nfs/dbraw/zinc/06/86/53/572068653.db2.gz GCSJWSUCQGCPPK-UHFFFAOYSA-N 0 0 528.099 5.234 40 10 KKCBRN O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225802128 572071570 /nfs/dbraw/zinc/07/15/70/572071570.db2.gz UFHNVEHVLJTIRD-UHFFFAOYSA-N 0 0 528.099 5.234 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000225805885 572072573 /nfs/dbraw/zinc/07/25/73/572072573.db2.gz MCUZNYZHOKMTHL-HXUWFJFHSA-N 0 0 556.153 6.041 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225817084 572073628 /nfs/dbraw/zinc/07/36/28/572073628.db2.gz WLXHQOOJGUHOGI-UHFFFAOYSA-N 0 0 514.091 5.315 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953952 572086408 /nfs/dbraw/zinc/08/64/08/572086408.db2.gz OEQINHXFCOSGGT-JOCHJYFZSA-N 0 0 507.752 5.180 40 10 KKCBRN C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954132 572086503 /nfs/dbraw/zinc/08/65/03/572086503.db2.gz WFSWMDAPCUXANE-NRFANRHFSA-N 0 0 502.688 5.735 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953969 572086549 /nfs/dbraw/zinc/08/65/49/572086549.db2.gz OEQINHXFCOSGGT-QFIPXVFZSA-N 0 0 507.752 5.180 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000226032467 572110313 /nfs/dbraw/zinc/11/03/13/572110313.db2.gz XESVDMRVXFHPCN-SFHLNBCPSA-N 0 0 571.210 5.451 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1 ZINC000408530438 572171828 /nfs/dbraw/zinc/17/18/28/572171828.db2.gz KZSRGSYJPDYKJM-CFRMEGHHSA-N 0 0 520.745 6.595 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408531394 572175528 /nfs/dbraw/zinc/17/55/28/572175528.db2.gz KLRIALSIIZSXBT-SXBRIOAWSA-N 0 0 627.793 6.781 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408533190 572182808 /nfs/dbraw/zinc/18/28/08/572182808.db2.gz XOEYCUJUPJPSMU-IUXPMGMMSA-N 0 0 541.876 5.316 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408537579 572195118 /nfs/dbraw/zinc/19/51/18/572195118.db2.gz FVKCXGZRTCPHMG-UHFFFAOYSA-N 0 0 557.455 5.464 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539181 572200926 /nfs/dbraw/zinc/20/09/26/572200926.db2.gz UPFYPXNBKNXLAX-UHFFFAOYSA-N 0 0 693.583 9.134 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539210 572201545 /nfs/dbraw/zinc/20/15/45/572201545.db2.gz FUIUMBRLHWABIJ-ZVHZXABRSA-N 0 0 586.529 6.503 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539441 572201879 /nfs/dbraw/zinc/20/18/79/572201879.db2.gz HRNKZYMUBOQXFF-CVKSISIWSA-N 0 0 567.063 6.012 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539592 572202494 /nfs/dbraw/zinc/20/24/94/572202494.db2.gz IIRBJGHZWULKRM-ZVHZXABRSA-N 0 0 542.078 6.394 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540427 572205896 /nfs/dbraw/zinc/20/58/96/572205896.db2.gz RQXFCSNJDXTPLM-JVWAILMASA-N 0 0 581.090 6.402 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540656 572206504 /nfs/dbraw/zinc/20/65/04/572206504.db2.gz ATNGUSILCIOGQB-UHFFFAOYSA-N 0 0 615.686 6.484 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541084 572207450 /nfs/dbraw/zinc/20/74/50/572207450.db2.gz XQAQLILABOAWEH-CEUNXORHSA-N 0 0 548.639 7.058 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541979 572209613 /nfs/dbraw/zinc/20/96/13/572209613.db2.gz INHSNZSGVHKNPG-ZXVVBBHZSA-N 0 0 509.606 5.706 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408550681 572234621 /nfs/dbraw/zinc/23/46/21/572234621.db2.gz IXMUZDKHKVQWJJ-WGOQTCKBSA-N 0 0 594.531 6.094 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408551305 572235847 /nfs/dbraw/zinc/23/58/47/572235847.db2.gz MZLZHMPZJFNFCD-WGOQTCKBSA-N 0 0 550.080 5.985 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552164 572237620 /nfs/dbraw/zinc/23/76/20/572237620.db2.gz OUGBWAUEMBPERC-GRSHGNNSSA-N 0 0 636.273 6.430 40 10 KKCBRN O=C(COc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554004 572241466 /nfs/dbraw/zinc/24/14/66/572241466.db2.gz XZOSZSSBASZJQT-LHHJGKSTSA-N 0 0 508.235 5.807 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408555208 572242536 /nfs/dbraw/zinc/24/25/36/572242536.db2.gz WIWSAMFBHBMTSZ-ODLFYWEKSA-N 0 0 514.796 6.470 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000408571254 572256929 /nfs/dbraw/zinc/25/69/29/572256929.db2.gz ASLHIZZTWXHDGO-JLPGSUDCSA-N 0 0 504.633 5.157 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408571271 572256947 /nfs/dbraw/zinc/25/69/47/572256947.db2.gz AVOMTHCRMWFBPH-CFRMEGHHSA-N 0 0 573.523 6.811 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)c(OCC)c3)SC2=S)cc1 ZINC000408571248 572256956 /nfs/dbraw/zinc/25/69/56/572256956.db2.gz AQLWRMZURPJTOR-IWIPYMOSSA-N 0 0 603.549 7.214 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1 ZINC000408571200 572256960 /nfs/dbraw/zinc/25/69/60/572256960.db2.gz ACJMOTYVQZLYFM-HAHDFKILSA-N 0 0 508.596 5.648 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cccc4C)c3)SC2=S)cc1 ZINC000408571682 572257265 /nfs/dbraw/zinc/25/72/65/572257265.db2.gz CKBUUZUJTFIWHR-HAHDFKILSA-N 0 0 504.633 5.735 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000408571812 572257379 /nfs/dbraw/zinc/25/73/79/572257379.db2.gz CQSLYTCDBWQKHK-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408571909 572257444 /nfs/dbraw/zinc/25/74/44/572257444.db2.gz DFQSBFQERZIOIA-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000408572034 572257572 /nfs/dbraw/zinc/25/75/72/572257572.db2.gz DWZDGNFQCDHDSE-HMAPJEAMSA-N 0 0 539.476 5.868 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408572438 572257806 /nfs/dbraw/zinc/25/78/06/572257806.db2.gz HAKKGBJXFFHJOU-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000408572360 572257809 /nfs/dbraw/zinc/25/78/09/572257809.db2.gz GKUPORLFLREFDQ-XYGWBWBKSA-N 0 0 518.660 5.182 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000408573230 572258617 /nfs/dbraw/zinc/25/86/17/572258617.db2.gz JGPIRZAEWLTWTA-ULJHMMPZSA-N 0 0 504.633 5.157 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408573209 572258637 /nfs/dbraw/zinc/25/86/37/572258637.db2.gz JAWKCNTVKTXREN-FMCGGJTJSA-N 0 0 593.941 7.469 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408573301 572258701 /nfs/dbraw/zinc/25/87/01/572258701.db2.gz JSZFWCZVWQDVLX-OYKKKHCWSA-N 0 0 632.001 7.541 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000408573284 572258760 /nfs/dbraw/zinc/25/87/60/572258760.db2.gz JOVUOQIALJUZKM-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408574784 572259975 /nfs/dbraw/zinc/25/99/75/572259975.db2.gz MSHZLWREIZFEQM-MYYYXRDXSA-N 0 0 597.556 6.575 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c(C)c1 ZINC000408576121 572261018 /nfs/dbraw/zinc/26/10/18/572261018.db2.gz PTKSXCUVNJEBCI-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000408576512 572261261 /nfs/dbraw/zinc/26/12/61/572261261.db2.gz VGKZGLJRHHYRJP-UCQKPKSFSA-N 0 0 558.603 6.527 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)cc1 ZINC000408576623 572261317 /nfs/dbraw/zinc/26/13/17/572261317.db2.gz QCWXGJCXNUOFBL-QRVIBDJDSA-N 0 0 593.048 7.181 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408577226 572261834 /nfs/dbraw/zinc/26/18/34/572261834.db2.gz RXYZYPSPLHTZNZ-YVNNLAQVSA-N 0 0 529.470 6.412 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1cccc(Cl)c1 ZINC000408577418 572261926 /nfs/dbraw/zinc/26/19/26/572261926.db2.gz SMDSJOHIAUZENF-HAHDFKILSA-N 0 0 509.052 5.801 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408578332 572262963 /nfs/dbraw/zinc/26/29/63/572262963.db2.gz XOHUCWPYNZLZFT-CFRMEGHHSA-N 0 0 539.078 6.076 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000408578397 572263053 /nfs/dbraw/zinc/26/30/53/572263053.db2.gz XZSJFBUDXCKHEP-UUYOSTAYSA-N 0 0 529.470 6.412 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1C ZINC000408578582 572263227 /nfs/dbraw/zinc/26/32/27/572263227.db2.gz YZJHMUVYVKPVMT-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000408578830 572263323 /nfs/dbraw/zinc/26/33/23/572263323.db2.gz ZNHUHIWLRSCNDK-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1Cl ZINC000408598748 572272028 /nfs/dbraw/zinc/27/20/28/572272028.db2.gz AOYWYRZWAFUJHN-JJFYIABZSA-N 0 0 520.434 7.126 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1 ZINC000408600570 572272513 /nfs/dbraw/zinc/27/25/13/572272513.db2.gz DNAZIWLFKDANFC-XKZIYDEJSA-N 0 0 529.014 5.613 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600498 572272548 /nfs/dbraw/zinc/27/25/48/572272548.db2.gz BVABITGXYMQUDZ-ODLFYWEKSA-N 0 0 522.442 5.194 40 10 KKCBRN CC(C)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408601847 572272978 /nfs/dbraw/zinc/27/29/78/572272978.db2.gz LOXZDRBZAAQICW-UHFFFAOYSA-N 0 0 535.463 6.232 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)OC(C)C ZINC000408601841 572273069 /nfs/dbraw/zinc/27/30/69/572273069.db2.gz LOEOKJYOOXDWJN-DJKKODMXSA-N 0 0 512.436 5.738 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000408603005 572273519 /nfs/dbraw/zinc/27/35/19/572273519.db2.gz PPNUKDKUQSRCBZ-VXLYETTFSA-N 0 0 539.904 5.992 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000408605736 572274595 /nfs/dbraw/zinc/27/45/95/572274595.db2.gz YQAACQPFNVOWAB-UUYOSTAYSA-N 0 0 547.460 6.566 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Oc5ccc(Br)cc5)cc4)C(=O)[C@H]23)cc1 ZINC000253561960 572300193 /nfs/dbraw/zinc/30/01/93/572300193.db2.gz CRWKOHXGSLFECE-IARZGTGTSA-N 0 0 608.444 6.245 40 10 KKCBRN O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408647251 572300413 /nfs/dbraw/zinc/30/04/13/572300413.db2.gz BLQJSTYZHBPSBD-QUPXGHQHSA-N 0 0 675.612 8.724 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000253578649 572300496 /nfs/dbraw/zinc/30/04/96/572300496.db2.gz YPNNDNFNWQGCPV-GMQQYTKMSA-N 0 0 673.313 6.699 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000253578650 572300498 /nfs/dbraw/zinc/30/04/98/572300498.db2.gz YPNNDNFNWQGCPV-OYUWMTPXSA-N 0 0 673.313 6.699 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2ccc(C(c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc21 ZINC000256055374 572305208 /nfs/dbraw/zinc/30/52/08/572305208.db2.gz DSNYGKRELNJSIA-QKDODKLFSA-N 0 0 577.901 10.033 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408658583 572307300 /nfs/dbraw/zinc/30/73/00/572307300.db2.gz OFDIXOGSXFZTFJ-ZGAZTSIXSA-N 0 0 709.629 8.775 40 10 KKCBRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c(C)cc1Br ZINC000408661708 572309219 /nfs/dbraw/zinc/30/92/19/572309219.db2.gz BZHFSUCTWHBPCB-UHFFFAOYSA-N 0 0 589.486 7.302 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c(C)c1 ZINC000408665908 572311772 /nfs/dbraw/zinc/31/17/72/572311772.db2.gz MSWVAOKJUKOXGU-UHFFFAOYSA-N 0 0 510.590 6.540 40 10 KKCBRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)ccc1Br ZINC000408666778 572312256 /nfs/dbraw/zinc/31/22/56/572312256.db2.gz PNCADXVARVSZRU-UHFFFAOYSA-N 0 0 575.459 6.994 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000260573344 572322736 /nfs/dbraw/zinc/32/27/36/572322736.db2.gz YGOSSHLTTNABSZ-PUDRWSQFSA-N 0 0 505.684 6.479 40 10 KKCBRN C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260737639 572324575 /nfs/dbraw/zinc/32/45/75/572324575.db2.gz MRPDAPMQVLHZSI-XZOQPEGZSA-N 0 0 513.751 7.499 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000260743489 572325000 /nfs/dbraw/zinc/32/50/00/572325000.db2.gz JEHVHKNJDGMNGQ-RCZVLFRGSA-N 0 0 533.738 5.997 40 10 KKCBRN COc1cc(C(=O)Nc2ccccc2)ccc1NN=C1c2ccccc2C=C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000100047816 1069695604 /nfs/dbraw/zinc/69/56/04/1069695604.db2.gz XOEZRSNQUHDPCN-HEFFKOSUSA-N 0 0 572.581 6.644 40 10 KKCBRN COC(=O)C1=NN(c2c(Cl)cc(C(F)(F)F)cc2Cl)C(=O)/C1=C/c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000100300633 1069696584 /nfs/dbraw/zinc/69/65/84/1069696584.db2.gz IZHJTCHGQXDCKI-UXBLZVDNSA-N 0 0 580.095 7.297 40 10 KKCBRN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 ZINC000102687594 1069707276 /nfs/dbraw/zinc/70/72/76/1069707276.db2.gz MFFYPDFWBHQMHT-NLRVBDNBSA-N 0 0 579.707 5.752 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000102686477 1069706616 /nfs/dbraw/zinc/70/66/16/1069706616.db2.gz UNTVQYJMYUFHOU-DUYBAWCLSA-N 0 0 521.086 6.684 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Cl ZINC000102686421 1069706638 /nfs/dbraw/zinc/70/66/38/1069706638.db2.gz GGQCDCAETIQCPB-KOEQRZSOSA-N 0 0 564.111 5.539 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000102686403 1069706725 /nfs/dbraw/zinc/70/67/25/1069706725.db2.gz WWSWVKHIDPCMCR-ZFOBRQHDSA-N 0 0 535.113 7.074 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836289 1069745554 /nfs/dbraw/zinc/74/55/54/1069745554.db2.gz PTIKBYIZYGAFIB-PKYOQBLNSA-N 0 0 634.596 5.756 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409134954 1069785907 /nfs/dbraw/zinc/78/59/07/1069785907.db2.gz QHTZGKJCQNUPTO-YSMPRRRNSA-N 0 0 579.541 6.893 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186253 1069798021 /nfs/dbraw/zinc/79/80/21/1069798021.db2.gz ZMPZFVVRJPKDCL-OOIBJXBFSA-N 0 0 761.638 6.236 40 10 KKCBRN O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408775704 1069893739 /nfs/dbraw/zinc/89/37/39/1069893739.db2.gz UJVCZVQOFYIVTM-UHFFFAOYSA-N 0 0 506.474 5.366 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408782256 1069906766 /nfs/dbraw/zinc/90/67/66/1069906766.db2.gz GEVXDCLSJQGSOE-UTAOYMJKSA-N 0 0 591.708 6.012 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)S2)cc1 ZINC000408782175 1069907011 /nfs/dbraw/zinc/90/70/11/1069907011.db2.gz WLUOUEZDGDILOQ-MFUBYVTQSA-N 0 0 529.447 5.861 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)S2)cc1 ZINC000408783304 1069909100 /nfs/dbraw/zinc/90/91/00/1069909100.db2.gz MIBOMZSKSFZEJG-UNDLXJOSSA-N 0 0 556.713 7.316 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408783446 1069909830 /nfs/dbraw/zinc/90/98/30/1069909830.db2.gz LLIUXEZUMDYGQD-MYYYXRDXSA-N 0 0 519.439 6.038 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408783508 1069910030 /nfs/dbraw/zinc/91/00/30/1069910030.db2.gz MAPKTSMPMZGIOF-WGARJPEWSA-N 0 0 553.556 5.473 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408818719 1069977582 /nfs/dbraw/zinc/97/75/82/1069977582.db2.gz ONYBCMVMKYVJQH-SNCSUOKWSA-N 0 0 684.887 8.652 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408827984 1070008197 /nfs/dbraw/zinc/00/81/97/1070008197.db2.gz NBQVZFFOFXOXDR-FUBXCCAHSA-N 0 0 755.768 8.231 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408835506 1070037810 /nfs/dbraw/zinc/03/78/10/1070037810.db2.gz XJSFWQMCHSWRFQ-KEPJHFNWSA-N 0 0 590.145 5.646 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408837705 1070038209 /nfs/dbraw/zinc/03/82/09/1070038209.db2.gz LSYYHOZUUAULKW-GCOVDLRRSA-N 0 0 545.304 8.478 40 10 KKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Br)c1 ZINC000408843894 1070049113 /nfs/dbraw/zinc/04/91/13/1070049113.db2.gz NZWOWHGQLCXRRG-RGVLZGJSSA-N 0 0 502.195 6.599 40 10 KKCBRN COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1cccc(Br)c1 ZINC000408846686 1070054364 /nfs/dbraw/zinc/05/43/64/1070054364.db2.gz YJYMZBUFLGKTEX-DEDYPNTBSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000408849067 1070062200 /nfs/dbraw/zinc/06/22/00/1070062200.db2.gz UXUZNWIKPOPXMX-BUVRLJJBSA-N 0 0 585.476 5.096 40 10 KKCBRN COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408863860 1070080217 /nfs/dbraw/zinc/08/02/17/1070080217.db2.gz QPSHIBUZEWRUOZ-KMEZTADASA-N 0 0 531.277 8.170 40 10 KKCBRN COC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408862082 1070077903 /nfs/dbraw/zinc/07/79/03/1070077903.db2.gz WWUULNZOCJNOLP-WYEJZRMESA-N 0 0 554.868 7.303 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408865487 1070083000 /nfs/dbraw/zinc/08/30/00/1070083000.db2.gz CSTFMYXSGLEWKT-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408865679 1070083708 /nfs/dbraw/zinc/08/37/08/1070083708.db2.gz DSVSEYNJRWTERK-UHFFFAOYSA-N 0 0 668.396 8.092 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408869569 1070091544 /nfs/dbraw/zinc/09/15/44/1070091544.db2.gz SKFOMUYPBSFZPF-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408871179 1070095504 /nfs/dbraw/zinc/09/55/04/1070095504.db2.gz YPWAZYWJNWXYBB-YSMPRRRNSA-N 0 0 547.007 5.239 40 10 KKCBRN O=C1C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408871608 1070096003 /nfs/dbraw/zinc/09/60/03/1070096003.db2.gz HPEDRQWNGFUWCV-UHFFFAOYSA-N 0 0 590.704 8.320 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408874496 1070101699 /nfs/dbraw/zinc/10/16/99/1070101699.db2.gz CQAPMZMFZHFURH-UHFFFAOYSA-N 0 0 524.576 7.002 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408879210 1070103105 /nfs/dbraw/zinc/10/31/05/1070103105.db2.gz BGRACNKSFGHVEQ-BIZUNTBRSA-N 0 0 679.622 7.862 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408875692 1070108187 /nfs/dbraw/zinc/10/81/87/1070108187.db2.gz LGWPDZKGQODVOG-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408878361 1070114409 /nfs/dbraw/zinc/11/44/09/1070114409.db2.gz ADRUPXKKZDQDEB-BKUYFWCQSA-N 0 0 551.412 5.807 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408877536 1070112030 /nfs/dbraw/zinc/11/20/30/1070112030.db2.gz VPRNKAOSMNHLRD-LPYMAVHISA-N 0 0 581.894 6.684 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408885275 1070120961 /nfs/dbraw/zinc/12/09/61/1070120961.db2.gz YNEUNDUEOLAKBU-LPYMAVHISA-N 0 0 591.867 5.051 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408895606 1070147539 /nfs/dbraw/zinc/14/75/39/1070147539.db2.gz LQSRRELMGCDAPQ-UHFFFAOYSA-N 0 0 525.029 6.667 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(C)c1 ZINC000408902163 1070162531 /nfs/dbraw/zinc/16/25/31/1070162531.db2.gz LBZVFIOWBIRUPY-OEAKJJBVSA-N 0 0 505.412 6.541 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901190 1070166740 /nfs/dbraw/zinc/16/67/40/1070166740.db2.gz BUITUJQCERGCRS-CIAFOILYSA-N 0 0 598.314 7.583 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408901914 1070170122 /nfs/dbraw/zinc/17/01/22/1070170122.db2.gz IUZPJIQFVQCFNE-CIAFOILYSA-N 0 0 511.803 6.496 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408902592 1070184192 /nfs/dbraw/zinc/18/41/92/1070184192.db2.gz OTIXMVVPRJXGEV-PXLXIMEGSA-N 0 0 525.051 6.162 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(I)cc2)SC(=S)N1c1ccccc1 ZINC000408902784 1070184300 /nfs/dbraw/zinc/18/43/00/1070184300.db2.gz RIWUYOWXOZEIHP-FYJGNVAPSA-N 0 0 608.320 7.039 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408902816 1070184972 /nfs/dbraw/zinc/18/49/72/1070184972.db2.gz RRBIQDIRLSEGNY-HYARGMPZSA-N 0 0 573.477 6.593 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902815 1070184989 /nfs/dbraw/zinc/18/49/89/1070184989.db2.gz RQUIKCFWSOSCIW-HYARGMPZSA-N 0 0 618.474 6.583 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408903247 1070185576 /nfs/dbraw/zinc/18/55/76/1070185576.db2.gz WJISJINSGDMPKQ-HZHRSRAPSA-N 0 0 583.529 6.580 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903220 1070185617 /nfs/dbraw/zinc/18/56/17/1070185617.db2.gz VXGHPZJICYPDAF-FYJGNVAPSA-N 0 0 620.465 5.862 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1O ZINC000408903410 1070186328 /nfs/dbraw/zinc/18/63/28/1070186328.db2.gz XHKBEHDKEYKFFV-UKTHLTGXSA-N 0 0 515.248 5.722 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903452 1070187132 /nfs/dbraw/zinc/18/71/32/1070187132.db2.gz YDDMVSRTAJDBGM-HYARGMPZSA-N 0 0 587.492 6.410 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408903541 1070187178 /nfs/dbraw/zinc/18/71/78/1070187178.db2.gz ZLFAHOYRVREHSB-ZVHZXABRSA-N 0 0 623.288 7.592 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408916207 1070219056 /nfs/dbraw/zinc/21/90/56/1070219056.db2.gz WAWYLQBMFHYTAH-AHQATDLNSA-N 0 0 565.720 5.405 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000408924788 1070243629 /nfs/dbraw/zinc/24/36/29/1070243629.db2.gz REAWIMNORWHKRQ-HVDVVURSSA-N 0 0 706.659 5.934 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(Cl)c4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408924409 1070243013 /nfs/dbraw/zinc/24/30/13/1070243013.db2.gz IMVQPCLIKLFCOQ-HDFSHUSISA-N 0 0 588.129 5.097 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933484 1070266462 /nfs/dbraw/zinc/26/64/62/1070266462.db2.gz AYXFFOOWALAADV-MQIAMDAWSA-N 0 0 616.954 5.785 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1 ZINC000408933796 1070267078 /nfs/dbraw/zinc/26/70/78/1070267078.db2.gz BJZHABITKLZXAW-HZHRSRAPSA-N 0 0 519.395 5.869 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000408934453 1070269712 /nfs/dbraw/zinc/26/97/12/1070269712.db2.gz ATWTYUTZJFRXGR-CIAFOILYSA-N 0 0 570.358 5.460 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408942149 1070301874 /nfs/dbraw/zinc/30/18/74/1070301874.db2.gz XUGKPYVGOBMKIU-HYARGMPZSA-N 0 0 602.450 5.572 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(I)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408951757 1070310463 /nfs/dbraw/zinc/31/04/63/1070310463.db2.gz JZODOGYXZDSUOS-UHFFFAOYSA-N 0 0 579.213 5.395 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n21 ZINC000408959395 1070321866 /nfs/dbraw/zinc/32/18/66/1070321866.db2.gz ZMZNTMNSURTBRF-ZJTZAHLKSA-N 0 0 620.569 5.365 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(Cl)c5)c4C)c(=O)n32)c(OC)c1 ZINC000408976270 1070336929 /nfs/dbraw/zinc/33/69/29/1070336929.db2.gz FCOKTJWLYYPPLJ-SXDQJOKOSA-N 0 0 653.204 6.260 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972916 1070337986 /nfs/dbraw/zinc/33/79/86/1070337986.db2.gz WXYQBMIVFQYLAR-ODLFYWEKSA-N 0 0 525.741 7.574 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408982174 1070340177 /nfs/dbraw/zinc/34/01/77/1070340177.db2.gz IVJJOZLYONADJD-MRWVFDTMSA-N 0 0 599.753 5.230 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408979932 1070344523 /nfs/dbraw/zinc/34/45/23/1070344523.db2.gz DPFYBVWKDDENCW-GOQPZEPVSA-N 0 0 587.745 5.960 40 10 KKCBRN Cc1cccc(NC(=O)CSC2=N[C@@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 ZINC000408986688 1070348859 /nfs/dbraw/zinc/34/88/59/1070348859.db2.gz CYDUAAYCGHZQMM-MHZLTWQESA-N 0 0 513.667 5.346 40 10 KKCBRN CCN(CC)c1cc(OC)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br ZINC000408980146 1070344414 /nfs/dbraw/zinc/34/44/14/1070344414.db2.gz VMMADJPQFARYPP-OIUASMPBSA-N 0 0 691.648 5.508 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408990507 1070356183 /nfs/dbraw/zinc/35/61/83/1070356183.db2.gz NLRZBNLLSBBFQC-UHFFFAOYSA-N 0 0 572.683 5.619 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000408996257 1070365173 /nfs/dbraw/zinc/36/51/73/1070365173.db2.gz GZYLAFRVBRGMRN-UHFFFAOYSA-N 0 0 543.000 6.135 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408996980 1070366750 /nfs/dbraw/zinc/36/67/50/1070366750.db2.gz FTSALZJENFYSRS-PQNXSAFSSA-N 0 0 642.152 6.144 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409001222 1070376435 /nfs/dbraw/zinc/37/64/35/1070376435.db2.gz VODKOKOSBBHRSJ-BOCWGRARSA-N 0 0 518.704 6.371 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)NC1=S ZINC000409006759 1070382737 /nfs/dbraw/zinc/38/27/37/1070382737.db2.gz LHIOTOQLXDRPKO-APSNUPSMSA-N 0 0 516.244 5.421 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409007122 1070383149 /nfs/dbraw/zinc/38/31/49/1070383149.db2.gz NZYQPIWPKQEZGH-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009861 1070387727 /nfs/dbraw/zinc/38/77/27/1070387727.db2.gz ACPHLISNQZOMKU-UZWMFBFFSA-N 0 0 709.648 7.952 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010164 1070387857 /nfs/dbraw/zinc/38/78/57/1070387857.db2.gz JVKHPOOYDHBAKD-PPOKSSTKSA-N 0 0 654.785 6.211 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013773 1070388719 /nfs/dbraw/zinc/38/87/19/1070388719.db2.gz VIGWZOAUVYAWDR-BUVRLJJBSA-N 0 0 585.476 5.096 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409008779 1070391499 /nfs/dbraw/zinc/39/14/99/1070391499.db2.gz HHBNYHXUICTIPF-LPCYTTORSA-N 0 0 631.150 6.758 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409016034 1070395803 /nfs/dbraw/zinc/39/58/03/1070395803.db2.gz UDXYHHUWEKSBKX-STBIYBPSSA-N 0 0 705.538 7.874 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409016661 1070396519 /nfs/dbraw/zinc/39/65/19/1070396519.db2.gz VHFSMMUOACJACY-RUMWWMSVSA-N 0 0 610.732 6.555 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409016633 1070396546 /nfs/dbraw/zinc/39/65/46/1070396546.db2.gz VDKPSOCVQGFSLO-TWKHWXDSSA-N 0 0 617.123 6.591 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409023017 1070400636 /nfs/dbraw/zinc/40/06/36/1070400636.db2.gz BBKYRZQKIOJEEP-WOSHRIRTSA-N 0 0 598.769 5.059 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409021384 1070397998 /nfs/dbraw/zinc/39/79/98/1070397998.db2.gz FBLRFWHXDHDQEJ-USDTVRPUSA-N 0 0 571.768 5.625 40 10 KKCBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n21 ZINC000409022684 1070399982 /nfs/dbraw/zinc/39/99/82/1070399982.db2.gz PGXSXQYVLRDGDM-QUNTYYFUSA-N 0 0 590.145 5.565 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409024426 1070407564 /nfs/dbraw/zinc/40/75/64/1070407564.db2.gz XXJKINQSDZOJCW-AFUMVMLFSA-N 0 0 547.442 6.145 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccccc3)sc2=N1 ZINC000409030585 1070413832 /nfs/dbraw/zinc/41/38/32/1070413832.db2.gz GIRHODQRAZAJAE-GJKZIJEQSA-N 0 0 581.738 5.224 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032388 1070419971 /nfs/dbraw/zinc/41/99/71/1070419971.db2.gz CYOBGOOJEZEMOF-FJNIOPPGSA-N 0 0 620.171 5.655 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033805 1070424571 /nfs/dbraw/zinc/42/45/71/1070424571.db2.gz GBWPZOPQMKPXPK-DDIUQFJASA-N 0 0 599.753 5.310 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409038033 1070427463 /nfs/dbraw/zinc/42/74/63/1070427463.db2.gz DHFFTFYUYMPXKH-LZYBPNLTSA-N 0 0 599.325 7.068 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409038773 1070429093 /nfs/dbraw/zinc/42/90/93/1070429093.db2.gz PHTHGRAWWOIFMD-CHHVJCJISA-N 0 0 650.623 7.946 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409038873 1070429895 /nfs/dbraw/zinc/42/98/95/1070429895.db2.gz WANVCNWEBIXORC-MTJSOVHGSA-N 0 0 567.514 6.435 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000409034958 1070433464 /nfs/dbraw/zinc/43/34/64/1070433464.db2.gz ROBGWNCDUDITCZ-NVNXTCNLSA-N 0 0 615.780 7.582 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000409041232 1070443073 /nfs/dbraw/zinc/44/30/73/1070443073.db2.gz UHSYLBAFTOYIMS-NVNXTCNLSA-N 0 0 662.780 7.424 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409037570 1070440217 /nfs/dbraw/zinc/44/02/17/1070440217.db2.gz DAQZPDAAOQHGLW-MKMNVTDBSA-N 0 0 605.774 8.126 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409036697 1070438445 /nfs/dbraw/zinc/43/84/45/1070438445.db2.gz LKWXTWSBBOJMGA-ZSOIEALJSA-N 0 0 561.721 7.727 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409042124 1070446629 /nfs/dbraw/zinc/44/66/29/1070446629.db2.gz WDGZHEDSSHPOSK-VIZOYTHASA-N 0 0 540.847 6.568 40 10 KKCBRN CC[C@H](C)Oc1ccc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409042079 1070446686 /nfs/dbraw/zinc/44/66/86/1070446686.db2.gz XJZADTUKCGCYGD-LMRAXHDRSA-N 0 0 503.265 6.128 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(I)cc1 ZINC000409042628 1070447319 /nfs/dbraw/zinc/44/73/19/1070447319.db2.gz XDZJZFVEEZWQOA-CXUHLZMHSA-N 0 0 614.308 6.380 40 10 KKCBRN COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409047663 1070459299 /nfs/dbraw/zinc/45/92/99/1070459299.db2.gz PLPSYCMTMUWUNL-RGVLZGJSSA-N 0 0 665.132 6.228 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1Cl ZINC000409048386 1070461698 /nfs/dbraw/zinc/46/16/98/1070461698.db2.gz OJURJNYPSOCXCN-UUASQNMZSA-N 0 0 636.198 7.845 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409056218 1070468735 /nfs/dbraw/zinc/46/87/35/1070468735.db2.gz LEGRWMCUMDAIGI-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409057368 1070470168 /nfs/dbraw/zinc/47/01/68/1070470168.db2.gz LHZBQWBDFTVKKG-FMCGGJTJSA-N 0 0 528.958 6.952 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081890 1070505510 /nfs/dbraw/zinc/50/55/10/1070505510.db2.gz QXMZSHPHKLIRNY-XDHOZWIPSA-N 0 0 523.299 5.864 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085505 1070511685 /nfs/dbraw/zinc/51/16/85/1070511685.db2.gz XEQJZLBHZCSMDQ-MKMNVTDBSA-N 0 0 722.197 6.992 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409078182 1070513462 /nfs/dbraw/zinc/51/34/62/1070513462.db2.gz GWQDJUQBINWFQQ-UHFFFAOYSA-N 0 0 776.368 8.211 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409088863 1070522885 /nfs/dbraw/zinc/52/28/85/1070522885.db2.gz KTTMKDCUCZIZIR-WPWMEQJKSA-N 0 0 621.712 5.120 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409103766 1070528130 /nfs/dbraw/zinc/52/81/30/1070528130.db2.gz YLLDUBAXKPHCOJ-MIUGUJGPSA-N 0 0 623.606 5.827 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409132028 1070550717 /nfs/dbraw/zinc/55/07/17/1070550717.db2.gz OFEYCXFGVJKVSZ-RRAHZORUSA-N 0 0 500.733 7.586 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409128511 1070555577 /nfs/dbraw/zinc/55/55/77/1070555577.db2.gz IKQSORUZTOFEEI-QRVIBDJDSA-N 0 0 537.435 5.745 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409138679 1070562279 /nfs/dbraw/zinc/56/22/79/1070562279.db2.gz GKGGAQJJLBFGGE-MYYYXRDXSA-N 0 0 552.494 6.243 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 ZINC000409140884 1070564441 /nfs/dbraw/zinc/56/44/41/1070564441.db2.gz GMTMMKGETFCZMR-FMCGGJTJSA-N 0 0 572.550 5.682 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409141687 1070565232 /nfs/dbraw/zinc/56/52/32/1070565232.db2.gz JOICSRXAZHCPFM-DICXZTSXSA-N 0 0 593.568 7.201 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccccc1F ZINC000409143365 1070571504 /nfs/dbraw/zinc/57/15/04/1070571504.db2.gz BUTKWMFCPXJTLD-HMAPJEAMSA-N 0 0 602.425 5.808 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409143978 1070572019 /nfs/dbraw/zinc/57/20/19/1070572019.db2.gz OWJHIXGZAJDGOK-QRQIAZFYSA-N 0 0 603.701 5.149 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409144080 1070572228 /nfs/dbraw/zinc/57/22/28/1070572228.db2.gz JMTDVKYEHDGRBG-SSDVNMTOSA-N 0 0 593.941 7.089 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409144922 1070572632 /nfs/dbraw/zinc/57/26/32/1070572632.db2.gz PPIFSTAXRANXBP-ZIHVZMLCSA-N 0 0 562.555 5.187 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409146163 1070573806 /nfs/dbraw/zinc/57/38/06/1070573806.db2.gz RUNVXUFNNJMMJK-ONUIUJJFSA-N 0 0 516.623 5.882 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409162564 1070581357 /nfs/dbraw/zinc/58/13/57/1070581357.db2.gz XFCWUHAZIQGQCY-UFFVCSGVSA-N 0 0 532.609 6.414 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409172938 1070588969 /nfs/dbraw/zinc/58/89/69/1070588969.db2.gz GSYFOQHJTWXDFD-WGOQTCKBSA-N 0 0 594.531 6.549 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409179857 1070595683 /nfs/dbraw/zinc/59/56/83/1070595683.db2.gz OMIGLWBJNSITMX-RQZCQDPDSA-N 0 0 516.841 6.445 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183551 1070602370 /nfs/dbraw/zinc/60/23/70/1070602370.db2.gz BTLALTIZCXQSPE-DPJPYKTPSA-N 0 0 626.576 6.842 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185757 1070605484 /nfs/dbraw/zinc/60/54/84/1070605484.db2.gz PPOSRXZYWGRVMX-HUWUMQHISA-N 0 0 622.747 5.509 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185869 1070605545 /nfs/dbraw/zinc/60/55/45/1070605545.db2.gz RTKUQLCZBQQLSB-BRBBWVIMSA-N 0 0 747.655 7.092 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccs2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185987 1070606222 /nfs/dbraw/zinc/60/62/22/1070606222.db2.gz UJJUVMXXTQRBSE-YJSHLOSGSA-N 0 0 553.709 6.141 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)c2C)cc1 ZINC000409195356 1070614202 /nfs/dbraw/zinc/61/42/02/1070614202.db2.gz OZBWOEHCZLYIMU-FMCGGJTJSA-N 0 0 510.015 5.740 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409197184 1070617129 /nfs/dbraw/zinc/61/71/29/1070617129.db2.gz XYSREYHOAOXMHK-FMCGGJTJSA-N 0 0 637.948 7.255 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000409198391 1070619322 /nfs/dbraw/zinc/61/93/22/1070619322.db2.gz FLMJKYWOEZEQMD-YBFXNURJSA-N 0 0 534.840 6.555 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204105 1070629564 /nfs/dbraw/zinc/62/95/64/1070629564.db2.gz BFKHWMFNLSOBEN-LICLKQGHSA-N 0 0 511.406 5.018 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409221179 1070648612 /nfs/dbraw/zinc/64/86/12/1070648612.db2.gz LZRAPEFBCDPHNC-ZKDCOOFMSA-N 0 0 587.550 7.290 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)SC1=S ZINC000409237799 1070653286 /nfs/dbraw/zinc/65/32/86/1070653286.db2.gz JORASCBWOHMRGH-HMAPJEAMSA-N 0 0 577.566 6.483 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409240735 1070656178 /nfs/dbraw/zinc/65/61/78/1070656178.db2.gz VBKDLFRFABLEKU-UNOMPAQXSA-N 0 0 553.475 5.616 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 ZINC000409240870 1070656353 /nfs/dbraw/zinc/65/63/53/1070656353.db2.gz QJFMWKRTPTXFGN-MSXFZWOLSA-N 0 0 553.061 5.796 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)SC1=S ZINC000409233478 1070659113 /nfs/dbraw/zinc/65/91/13/1070659113.db2.gz KRQVAEIQEMZFBS-NDENLUEZSA-N 0 0 583.957 6.520 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409233856 1070659188 /nfs/dbraw/zinc/65/91/88/1070659188.db2.gz IBGZDWHPNZTNCN-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409241853 1070669202 /nfs/dbraw/zinc/66/92/02/1070669202.db2.gz ZAJQWRVCLDYKFT-NHDPSOOVSA-N 0 0 566.985 6.921 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409242869 1070670625 /nfs/dbraw/zinc/67/06/25/1070670625.db2.gz WINUQYITQSFQPI-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1cccc(Cl)c1 ZINC000409247402 1070664289 /nfs/dbraw/zinc/66/42/89/1070664289.db2.gz BZRULERJLLOXAT-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)ccc1Br ZINC000409248928 1070665581 /nfs/dbraw/zinc/66/55/81/1070665581.db2.gz LVRWHYFXBANHGY-JLPGSUDCSA-N 0 0 567.530 6.219 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2Cl)c(C)c1 ZINC000409254668 1070672713 /nfs/dbraw/zinc/67/27/13/1070672713.db2.gz JCECMRXBRQRFFS-WQFTWXBESA-N 0 0 517.072 5.355 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409255088 1070673421 /nfs/dbraw/zinc/67/34/21/1070673421.db2.gz HBVVZEJVLIBEME-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409255399 1070674087 /nfs/dbraw/zinc/67/40/87/1070674087.db2.gz HTOQWQGXSKMFJQ-GTNUZRKBSA-N 0 0 523.463 5.391 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)c(C)c1 ZINC000409255303 1070674115 /nfs/dbraw/zinc/67/41/15/1070674115.db2.gz ZQIHKEXBHDVGEK-FFAHCDIZSA-N 0 0 516.688 6.592 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409256748 1070676074 /nfs/dbraw/zinc/67/60/74/1070676074.db2.gz PMLQQDTZQXRIFV-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409256747 1070676107 /nfs/dbraw/zinc/67/61/07/1070676107.db2.gz PMHRUTBINQJUIE-GRSHGNNSSA-N 0 0 616.885 6.346 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409256917 1070676752 /nfs/dbraw/zinc/67/67/52/1070676752.db2.gz QPYDDIAKOGHASS-SAHIIKMKSA-N 0 0 534.659 5.684 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)SC2=S)cc1 ZINC000409264810 1070688164 /nfs/dbraw/zinc/68/81/64/1070688164.db2.gz QQVGTVXITQGTAI-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409251983 1070682553 /nfs/dbraw/zinc/68/25/53/1070682553.db2.gz AVICPNROPUPJAV-NDENLUEZSA-N 0 0 535.485 5.395 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409252345 1070683660 /nfs/dbraw/zinc/68/36/60/1070683660.db2.gz RXYWOINROIGDLB-MFOYZWKCSA-N 0 0 588.876 5.192 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)cc1Cl ZINC000409252363 1070683719 /nfs/dbraw/zinc/68/37/19/1070683719.db2.gz XLKIMIXSPOLBFU-FMCGGJTJSA-N 0 0 587.948 7.143 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(I)c1O ZINC000409267093 1070691802 /nfs/dbraw/zinc/69/18/02/1070691802.db2.gz LVFCQYBVAHLKAK-ZSAINHDTSA-N 0 0 511.406 5.358 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409262569 1070699235 /nfs/dbraw/zinc/69/92/35/1070699235.db2.gz HWWGQDSGROEOAF-HAHDFKILSA-N 0 0 539.078 6.470 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409263080 1070700143 /nfs/dbraw/zinc/70/01/43/1070700143.db2.gz LMGDJOTYPXCDQV-UQQQWYQISA-N 0 0 518.660 5.465 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409270330 1070705777 /nfs/dbraw/zinc/70/57/77/1070705777.db2.gz PJGRTMLZNIBWFD-KSEXSDGBSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl ZINC000409270663 1070706364 /nfs/dbraw/zinc/70/63/64/1070706364.db2.gz IASZJEHGZOPVSK-NVMNQCDNSA-N 0 0 508.825 5.152 40 10 KKCBRN COc1ccc(C)c2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408881168 1070784605 /nfs/dbraw/zinc/78/46/05/1070784605.db2.gz JZPLDPDGXVJNTB-SWYRRKHMSA-N 0 0 540.885 7.834 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408881103 1070784224 /nfs/dbraw/zinc/78/42/24/1070784224.db2.gz MCNUIAPPOIHMLR-UHFFFAOYSA-N 0 0 672.519 7.469 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408880376 1070788140 /nfs/dbraw/zinc/78/81/40/1070788140.db2.gz IPTMZNUWHVHSSC-UHFFFAOYSA-N 0 0 507.340 5.050 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408880148 1070789914 /nfs/dbraw/zinc/78/99/14/1070789914.db2.gz DPUMQKJRPCQFOE-YVNNLAQVSA-N 0 0 558.538 6.005 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880724 1070787048 /nfs/dbraw/zinc/78/70/48/1070787048.db2.gz IHUKPZPKUFBYPR-CVKSISIWSA-N 0 0 617.551 6.367 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408878731 1070799246 /nfs/dbraw/zinc/79/92/46/1070799246.db2.gz CYBMVWXZENZROE-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408889020 1070809701 /nfs/dbraw/zinc/80/97/01/1070809701.db2.gz ARPSTXALTKEUBZ-UHFFFAOYSA-N 0 0 559.021 7.656 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 ZINC000409326881 1070826964 /nfs/dbraw/zinc/82/69/64/1070826964.db2.gz FWJVGYYWDKBKPG-XDHOZWIPSA-N 0 0 504.511 5.520 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409328220 1070829335 /nfs/dbraw/zinc/82/93/35/1070829335.db2.gz QCPUPVIAUJPZLC-APSNUPSMSA-N 0 0 654.729 5.673 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328875 1070830425 /nfs/dbraw/zinc/83/04/25/1070830425.db2.gz BRQXNPDQZXESDD-SXGWCWSVSA-N 0 0 531.824 5.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409329495 1070831544 /nfs/dbraw/zinc/83/15/44/1070831544.db2.gz GOUPPZQFXUZBGR-UCQKPKSFSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409329602 1070831741 /nfs/dbraw/zinc/83/17/41/1070831741.db2.gz GBYRDYNYZBULOV-MTJSOVHGSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409329872 1070832931 /nfs/dbraw/zinc/83/29/31/1070832931.db2.gz ICHPCIZLGYXTPD-WSDLNYQXSA-N 0 0 637.440 7.927 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409345116 1070845045 /nfs/dbraw/zinc/84/50/45/1070845045.db2.gz JTOVKCUTYDYRMM-MFOYZWKCSA-N 0 0 503.270 6.951 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1O ZINC000409340160 1070845922 /nfs/dbraw/zinc/84/59/22/1070845922.db2.gz RKJYYFZZGRGMET-UNOMPAQXSA-N 0 0 533.412 5.955 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409342358 1070849774 /nfs/dbraw/zinc/84/97/74/1070849774.db2.gz DNSWZAHCGYSMNB-MTJSOVHGSA-N 0 0 604.891 6.136 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409342408 1070849836 /nfs/dbraw/zinc/84/98/36/1070849836.db2.gz DPTHZIVKAHWKTI-HYARGMPZSA-N 0 0 556.643 5.394 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342409 1070850030 /nfs/dbraw/zinc/85/00/30/1070850030.db2.gz DQXDDUVRCNLBBZ-FSJBWODESA-N 0 0 635.945 7.403 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409343163 1070851074 /nfs/dbraw/zinc/85/10/74/1070851074.db2.gz GFYIFASEPKMEMN-YVLHZVERSA-N 0 0 510.866 5.023 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409343185 1070851631 /nfs/dbraw/zinc/85/16/31/1070851631.db2.gz GJZKBOABGPUPRJ-BUVRLJJBSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409343640 1070851760 /nfs/dbraw/zinc/85/17/60/1070851760.db2.gz HXWVLEYHXGSFHP-MYYYXRDXSA-N 0 0 520.632 6.595 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409344628 1070853255 /nfs/dbraw/zinc/85/32/55/1070853255.db2.gz HQGUGRZNOWHIGH-FMCGGJTJSA-N 0 0 578.912 7.625 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409334860 1070853978 /nfs/dbraw/zinc/85/39/78/1070853978.db2.gz WSNLVKAPGLBNGU-LPYMAVHISA-N 0 0 505.577 5.327 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409335730 1070855959 /nfs/dbraw/zinc/85/59/59/1070855959.db2.gz ZCEITQJYBOXYKM-MFKUBSTISA-N 0 0 553.105 6.895 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC ZINC000409338259 1070860537 /nfs/dbraw/zinc/86/05/37/1070860537.db2.gz GTAJCOHFNCOQJA-BOPFTXTBSA-N 0 0 509.403 5.561 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409338501 1070860641 /nfs/dbraw/zinc/86/06/41/1070860641.db2.gz KZWXGWAXXONTCM-ZVHZXABRSA-N 0 0 540.504 7.059 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409338901 1070861767 /nfs/dbraw/zinc/86/17/67/1070861767.db2.gz QLMZMLVXZIFZBX-FOKLQQMPSA-N 0 0 540.453 7.310 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409338925 1070862176 /nfs/dbraw/zinc/86/21/76/1070862176.db2.gz CDNNSZXIXYYRTH-RGVLZGJSSA-N 0 0 513.984 5.671 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409339264 1070862477 /nfs/dbraw/zinc/86/24/77/1070862477.db2.gz GHYFOJOAIMDXSZ-FYJGNVAPSA-N 0 0 508.581 5.263 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409346601 1070862960 /nfs/dbraw/zinc/86/29/60/1070862960.db2.gz NSUQHGRQGXHFNH-YSMPRRRNSA-N 0 0 596.608 8.364 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409348574 1070865531 /nfs/dbraw/zinc/86/55/31/1070865531.db2.gz OVAIAJZXTJBJJH-LICLKQGHSA-N 0 0 557.285 5.559 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409349086 1070866544 /nfs/dbraw/zinc/86/65/44/1070866544.db2.gz UKDWFWORXNMLJT-BUVRLJJBSA-N 0 0 511.068 6.399 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409350472 1070868602 /nfs/dbraw/zinc/86/86/02/1070868602.db2.gz RQDWUBVKHIQTJH-SRZZPIQSSA-N 0 0 579.914 6.781 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409351356 1070869779 /nfs/dbraw/zinc/86/97/79/1070869779.db2.gz UENFPWDRGCUFFQ-UCQKPKSFSA-N 0 0 587.504 6.901 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892397 1070872616 /nfs/dbraw/zinc/87/26/16/1070872616.db2.gz AZJVGXPVSAXCTO-UHFFFAOYSA-N 0 0 661.530 6.507 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408892365 1070872852 /nfs/dbraw/zinc/87/28/52/1070872852.db2.gz YXPDQSHDNCQFGB-UHFFFAOYSA-N 0 0 633.951 7.438 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409345308 1070876632 /nfs/dbraw/zinc/87/66/32/1070876632.db2.gz LIRWMCKOYHZLFV-FMCGGJTJSA-N 0 0 504.589 5.147 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409346042 1070877783 /nfs/dbraw/zinc/87/77/83/1070877783.db2.gz MVAGOOXPMOUSFK-YBFXNURJSA-N 0 0 501.992 6.174 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(C)C ZINC000409367674 1070890864 /nfs/dbraw/zinc/89/08/64/1070890864.db2.gz DFOCKVCAXVNHMY-OCKHKDLRSA-N 0 0 526.467 5.975 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409368694 1070892395 /nfs/dbraw/zinc/89/23/95/1070892395.db2.gz IFABDRBEHUKGSF-OPVMPGTRSA-N 0 0 640.530 6.253 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000409373242 1070896025 /nfs/dbraw/zinc/89/60/25/1070896025.db2.gz SSWCGBNXUKFFQP-AWQFTUOYSA-N 0 0 606.425 6.540 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1F ZINC000408905557 1070900177 /nfs/dbraw/zinc/90/01/77/1070900177.db2.gz ZFVGLZMAAZHQEQ-FYJGNVAPSA-N 0 0 509.375 6.372 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408904641 1070900879 /nfs/dbraw/zinc/90/08/79/1070900879.db2.gz MNOVBJRVGZXUTR-WGOQTCKBSA-N 0 0 541.445 7.386 40 10 KKCBRN CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1I ZINC000408904242 1070901411 /nfs/dbraw/zinc/90/14/11/1070901411.db2.gz GYWHGAGLNQOCIV-UHFFFAOYSA-N 0 0 538.341 5.273 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408903455 1070903507 /nfs/dbraw/zinc/90/35/07/1070903507.db2.gz YDKBKGJNELQFCS-LDADJPATSA-N 0 0 522.442 5.196 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408903441 1070903539 /nfs/dbraw/zinc/90/35/39/1070903539.db2.gz XXVWWWLTIZRJPT-WPWMEQJKSA-N 0 0 514.647 7.218 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408903535 1070903896 /nfs/dbraw/zinc/90/38/96/1070903896.db2.gz ZIIHCLJKZJWCSB-VXLYETTFSA-N 0 0 501.797 7.041 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408903529 1070904047 /nfs/dbraw/zinc/90/40/47/1070904047.db2.gz ZDNFEYSKYGZQHG-FYJGNVAPSA-N 0 0 593.895 6.938 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902807 1070909828 /nfs/dbraw/zinc/90/98/28/1070909828.db2.gz RPPBFANVRHQNNA-DEDYPNTBSA-N 0 0 655.320 6.881 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408903212 1070905424 /nfs/dbraw/zinc/90/54/24/1070905424.db2.gz VTFNEKVWFJPOAP-WPWMEQJKSA-N 0 0 514.647 7.218 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408903061 1070906627 /nfs/dbraw/zinc/90/66/27/1070906627.db2.gz UFVDDCZKBOTMFY-PCLIKHOPSA-N 0 0 544.392 6.830 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409392141 1070907171 /nfs/dbraw/zinc/90/71/71/1070907171.db2.gz LKLZLYGQURKWDN-YVNNLAQVSA-N 0 0 512.860 5.897 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408902694 1070908622 /nfs/dbraw/zinc/90/86/22/1070908622.db2.gz QBFKNHNHJVKSME-FYJGNVAPSA-N 0 0 526.228 6.597 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408905584 1070900035 /nfs/dbraw/zinc/90/00/35/1070900035.db2.gz ZNEJMONGBLSAOE-LPYMAVHISA-N 0 0 536.382 6.141 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902434 1070911059 /nfs/dbraw/zinc/91/10/59/1070911059.db2.gz NPOSCOGIFRPNDT-BUVRLJJBSA-N 0 0 705.380 8.034 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902422 1070911345 /nfs/dbraw/zinc/91/13/45/1070911345.db2.gz NLBWHWRLXMXABI-UDWIEESQSA-N 0 0 595.765 7.850 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408902509 1070911735 /nfs/dbraw/zinc/91/17/35/1070911735.db2.gz OSZMWFIOWLRAIN-YBFXNURJSA-N 0 0 516.222 7.141 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902501 1070912071 /nfs/dbraw/zinc/91/20/71/1070912071.db2.gz OQXDVIKKPGXMAV-CIAFOILYSA-N 0 0 551.314 7.741 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408902248 1070912109 /nfs/dbraw/zinc/91/21/09/1070912109.db2.gz MLIQNPAUSCNIQB-RGVLZGJSSA-N 0 0 699.124 7.043 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902205 1070914111 /nfs/dbraw/zinc/91/41/11/1070914111.db2.gz LUWOGYHBPPDQOM-BUVRLJJBSA-N 0 0 658.380 8.192 40 10 KKCBRN O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 ZINC000408901617 1070919470 /nfs/dbraw/zinc/91/94/70/1070919470.db2.gz GVPXNUHXJJNNKY-KGENOOAVSA-N 0 0 525.449 5.872 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408902025 1070915309 /nfs/dbraw/zinc/91/53/09/1070915309.db2.gz JXMYZSPBMSEUFZ-FYJGNVAPSA-N 0 0 539.329 5.585 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408901557 1070918656 /nfs/dbraw/zinc/91/86/56/1070918656.db2.gz GJHLQKFYJOBSIQ-GIJQJNRQSA-N 0 0 642.118 7.746 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408901410 1070920273 /nfs/dbraw/zinc/92/02/73/1070920273.db2.gz FBCYSCMMENNGJX-MHWRWJLKSA-N 0 0 512.834 5.450 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409403147 1070922864 /nfs/dbraw/zinc/92/28/64/1070922864.db2.gz YVRMFTQLKWPNBA-FBHDLOMBSA-N 0 0 544.391 5.111 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408900922 1070928005 /nfs/dbraw/zinc/92/80/05/1070928005.db2.gz ACPVAGSGXXXNDH-HZHRSRAPSA-N 0 0 573.477 6.675 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408900947 1070925786 /nfs/dbraw/zinc/92/57/86/1070925786.db2.gz ALJCAJBBENGUCP-FYJGNVAPSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408901202 1070925815 /nfs/dbraw/zinc/92/58/15/1070925815.db2.gz CATFRHOVJLQQOL-MFKUBSTISA-N 0 0 574.418 6.838 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408900948 1070926035 /nfs/dbraw/zinc/92/60/35/1070926035.db2.gz ALPVQPDDDIEOIH-YDZHTSKRSA-N 0 0 571.474 6.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408900973 1070926574 /nfs/dbraw/zinc/92/65/74/1070926574.db2.gz AYYYIJQCDKYKFC-KGENOOAVSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OCC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408911234 1071063027 /nfs/dbraw/zinc/06/30/27/1071063027.db2.gz JNHJKHPKDPGZIC-MDNSZFDISA-N 0 0 675.807 5.919 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)c(Cl)c4)S(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000408911088 1071064098 /nfs/dbraw/zinc/06/40/98/1071064098.db2.gz YNBMNOLMWZWZID-NDZAJKAJSA-N 0 0 695.621 7.562 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408926339 1071072904 /nfs/dbraw/zinc/07/29/04/1071072904.db2.gz MRAPRUIKNSUXDT-USDTVRPUSA-N 0 0 622.574 5.750 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(Cl)c4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408924410 1071083358 /nfs/dbraw/zinc/08/33/58/1071083358.db2.gz IMVQPCLIKLFCOQ-LAUBZIAYSA-N 0 0 588.129 5.097 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000408920711 1071101473 /nfs/dbraw/zinc/10/14/73/1071101473.db2.gz KRWZGWWGCYDJKK-PRLWALMFSA-N 0 0 636.637 6.079 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000408919555 1071118657 /nfs/dbraw/zinc/11/86/57/1071118657.db2.gz AXSOZOGJRQBLEW-FUFNRSNVSA-N 0 0 592.186 5.970 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208691028 1071212392 /nfs/dbraw/zinc/21/23/92/1071212392.db2.gz VHKOQKNLVHWKGT-MYYYXRDXSA-N 0 0 580.500 7.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000208699211 1071213126 /nfs/dbraw/zinc/21/31/26/1071213126.db2.gz BNSNBUSAPIKZAT-UCQKPKSFSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(F)cc1 ZINC000408934638 1071233661 /nfs/dbraw/zinc/23/36/61/1071233661.db2.gz FLCUTXHXPMKNPO-LPYMAVHISA-N 0 0 584.385 5.850 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000408942587 1071261822 /nfs/dbraw/zinc/26/18/22/1071261822.db2.gz ZMPOXHZZVYJYFA-FYJGNVAPSA-N 0 0 600.840 6.364 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408946904 1071266498 /nfs/dbraw/zinc/26/64/98/1071266498.db2.gz MZHVNDLYUUAPEM-VSQRRKBNSA-N 0 0 728.656 6.593 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408946125 1071272374 /nfs/dbraw/zinc/27/23/74/1071272374.db2.gz XZWTULDWZFLTQQ-SRZZPIQSSA-N 0 0 588.285 7.176 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000408945017 1071283213 /nfs/dbraw/zinc/28/32/13/1071283213.db2.gz VQYJKAIIWBXFBZ-CIAFOILYSA-N 0 0 558.803 6.338 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)cc6Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408942742 1071297041 /nfs/dbraw/zinc/29/70/41/1071297041.db2.gz LBQJIAOSFWQVRR-WPKSMHDGSA-N 0 0 732.686 7.109 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408937290 1071341042 /nfs/dbraw/zinc/34/10/42/1071341042.db2.gz IRFHRHRWWOYACY-HYARGMPZSA-N 0 0 509.787 6.123 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(N(CC)CC)cc4OCc4ccccc4)c(=O)n32)cc1OCC ZINC000408949151 1071361754 /nfs/dbraw/zinc/36/17/54/1071361754.db2.gz SARMAVSMKNQJMG-ZNOGYKKMSA-N 0 0 641.790 5.241 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966996 1071407147 /nfs/dbraw/zinc/40/71/47/1071407147.db2.gz OQCCCWNDNSLLSV-IWIPYMOSSA-N 0 0 505.018 5.576 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000408959451 1071437238 /nfs/dbraw/zinc/43/72/38/1071437238.db2.gz ZRTPUYYSEKDXCY-YRSDHNRQSA-N 0 0 655.014 6.019 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973525 1071447248 /nfs/dbraw/zinc/44/72/48/1071447248.db2.gz TTZLJACNEFZLQT-HMAPJEAMSA-N 0 0 524.340 6.801 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCCCCC2)cc1 ZINC000408973362 1071447651 /nfs/dbraw/zinc/44/76/51/1071447651.db2.gz APCSZZCEZTYEPY-UHFFFAOYSA-N 0 0 556.691 7.881 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl ZINC000408969130 1071459504 /nfs/dbraw/zinc/45/95/04/1071459504.db2.gz HWDQLNPLYIXSAJ-NDENLUEZSA-N 0 0 535.349 7.320 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967403 1071467024 /nfs/dbraw/zinc/46/70/24/1071467024.db2.gz QKNMDBGJHDTAJM-USHMODERSA-N 0 0 572.731 5.903 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000408974862 1071478024 /nfs/dbraw/zinc/47/80/24/1071478024.db2.gz HRPCUQUWVYFUSA-AREMUKBSSA-N 0 0 604.735 8.495 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408978994 1071480996 /nfs/dbraw/zinc/48/09/96/1071480996.db2.gz BJZUHFRYQCAFTR-CRCYZHLCSA-N 0 0 578.159 5.581 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1 ZINC000408987053 1071484500 /nfs/dbraw/zinc/48/45/00/1071484500.db2.gz ABAVJKIELZHGIL-BXTSTYNKSA-N 0 0 504.677 6.117 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408986574 1071489375 /nfs/dbraw/zinc/48/93/75/1071489375.db2.gz QQAIRYNXTHAGHO-XSFVSMFZSA-N 0 0 539.267 7.390 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2OC)c1 ZINC000408986439 1071490195 /nfs/dbraw/zinc/49/01/95/1071490195.db2.gz CIRCQVHTIGYUKS-UHFFFAOYSA-N 0 0 580.662 6.040 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408985551 1071499238 /nfs/dbraw/zinc/49/92/38/1071499238.db2.gz NKOQBOFITKUSHE-QPJBPQEWSA-N 0 0 546.092 5.168 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000408985517 1071499287 /nfs/dbraw/zinc/49/92/87/1071499287.db2.gz MOVOHKHLFUJPHQ-RCCKNPSSSA-N 0 0 526.932 6.766 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)cc4Br)C3=O)o2)cc1 ZINC000408985455 1071501346 /nfs/dbraw/zinc/50/13/46/1071501346.db2.gz MCKMAFFWLIFOMI-HAVVHWLPSA-N 0 0 540.413 7.275 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)c1 ZINC000408984967 1071504734 /nfs/dbraw/zinc/50/47/34/1071504734.db2.gz JNQFLXPKKNTKOQ-NCELDCMTSA-N 0 0 519.553 6.381 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408984859 1071506178 /nfs/dbraw/zinc/50/61/78/1071506178.db2.gz NEDIQWUBMMNLMW-UQDCTOEPSA-N 0 0 620.569 5.285 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408984655 1071507670 /nfs/dbraw/zinc/50/76/70/1071507670.db2.gz IZDLRTKDNMWGIE-XDJHFCHBSA-N 0 0 527.789 6.815 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([C@H](C)CC)cc3)C2=O)cc1Br ZINC000408984242 1071511400 /nfs/dbraw/zinc/51/14/00/1071511400.db2.gz FVZVGRHMRRVXFO-HQXXTQMQSA-N 0 0 502.452 7.833 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408984251 1071511411 /nfs/dbraw/zinc/51/14/11/1071511411.db2.gz MHDNHOUNEFYNQV-HRIDGTDGSA-N 0 0 571.768 5.545 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726984 1071514575 /nfs/dbraw/zinc/51/45/75/1071514575.db2.gz XIZDMBDMTLZTIG-UHFFFAOYSA-N 0 0 563.566 6.156 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408983977 1071513819 /nfs/dbraw/zinc/51/38/19/1071513819.db2.gz LNAPTVBPLPXIBZ-KEQCBNTKSA-N 0 0 566.510 5.513 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408726418 1071517301 /nfs/dbraw/zinc/51/73/01/1071517301.db2.gz NNSPDBMRHHYKOQ-GKTKDVHMSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408726103 1071517834 /nfs/dbraw/zinc/51/78/34/1071517834.db2.gz PCCQCPUXQKLMEC-UHFFFAOYSA-N 0 0 553.014 6.901 40 10 KKCBRN CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000408726144 1071517848 /nfs/dbraw/zinc/51/78/48/1071517848.db2.gz QANSCGQBFAPYHQ-UHFFFAOYSA-N 0 0 500.620 5.849 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)c([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000408983410 1071519124 /nfs/dbraw/zinc/51/91/24/1071519124.db2.gz BOBPAXZKDCWQQB-XQNSMLJCSA-N 0 0 506.514 6.421 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408725664 1071519482 /nfs/dbraw/zinc/51/94/82/1071519482.db2.gz NJMZCYHVQQFTCU-BKUYFWCQSA-N 0 0 526.979 5.882 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408725717 1071519937 /nfs/dbraw/zinc/51/99/37/1071519937.db2.gz NENDOQLHPAXTLW-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408725173 1071521124 /nfs/dbraw/zinc/52/11/24/1071521124.db2.gz IBLUFQKEJIENOU-UHFFFAOYSA-N 0 0 567.041 7.128 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408725206 1071521279 /nfs/dbraw/zinc/52/12/79/1071521279.db2.gz FYLJDEMYRNQKGN-IPAKXIGBSA-N 0 0 778.496 6.363 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(N(C)C)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000408982956 1071522681 /nfs/dbraw/zinc/52/26/81/1071522681.db2.gz KDOPOTZBVLBMDZ-UXCHMGEPSA-N 0 0 613.736 5.081 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408724794 1071523615 /nfs/dbraw/zinc/52/36/15/1071523615.db2.gz CFZRJOPANKXDHM-ZTJHJZSNSA-N 0 0 697.595 5.136 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408723975 1071527097 /nfs/dbraw/zinc/52/70/97/1071527097.db2.gz BLJMWURUEWHBJR-DHOXXYLSSA-N 0 0 554.402 8.539 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408718968 1071548148 /nfs/dbraw/zinc/54/81/48/1071548148.db2.gz YSEVAZJDLLPHRY-YNMQQHPQSA-N 0 0 711.476 5.968 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995089 1071555304 /nfs/dbraw/zinc/55/53/04/1071555304.db2.gz ISELWYODCQOUFB-SWFBWHSRSA-N 0 0 540.710 6.961 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995067 1071555317 /nfs/dbraw/zinc/55/53/17/1071555317.db2.gz ILFKIFUCKZOYSS-SXDGJLEOSA-N 0 0 520.676 5.817 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Br)cc2)N1 ZINC000408994706 1071556228 /nfs/dbraw/zinc/55/62/28/1071556228.db2.gz ZSRBSWQMRFIRGH-RUZDIDTESA-N 0 0 535.511 6.362 40 10 KKCBRN Clc1ccccc1COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736082 1071558557 /nfs/dbraw/zinc/55/85/57/1071558557.db2.gz DHMXYTUKAZUIOH-CZSZKKDXSA-N 0 0 513.806 7.350 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408993530 1071564729 /nfs/dbraw/zinc/56/47/29/1071564729.db2.gz VYXGZNSHJKGWAL-UHFFFAOYSA-N 0 0 583.716 7.188 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408993794 1071562181 /nfs/dbraw/zinc/56/21/81/1071562181.db2.gz FXCCPKQTQGFKEC-SXDGJLEOSA-N 0 0 539.122 6.770 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735054 1071563190 /nfs/dbraw/zinc/56/31/90/1071563190.db2.gz NEQBPXNHWFQHOE-JLKMOJGBSA-N 0 0 711.622 5.608 40 10 KKCBRN O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408992764 1071569547 /nfs/dbraw/zinc/56/95/47/1071569547.db2.gz BRLPMAFADDFALB-CLCZQPDDSA-N 0 0 508.640 5.947 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992523 1071571638 /nfs/dbraw/zinc/57/16/38/1071571638.db2.gz SHANTYXLSVSTKF-UHFFFAOYSA-N 0 0 681.604 8.621 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)c(OC)c3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408991546 1071581019 /nfs/dbraw/zinc/58/10/19/1071581019.db2.gz YIAIRAVGVVFDMO-VZVSMJQGSA-N 0 0 691.806 5.537 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992016 1071576603 /nfs/dbraw/zinc/57/66/03/1071576603.db2.gz PZIDCTFIHNALHM-KAYWLYCHSA-N 0 0 842.808 9.707 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408990944 1071585535 /nfs/dbraw/zinc/58/55/35/1071585535.db2.gz MCDFGNLTGGPSHO-UHFFFAOYSA-N 0 0 769.930 9.590 40 10 KKCBRN Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1C ZINC000408990830 1071586854 /nfs/dbraw/zinc/58/68/54/1071586854.db2.gz OJMPOCROGKNFSD-MUUNZHRXSA-N 0 0 527.694 5.654 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408990177 1071591122 /nfs/dbraw/zinc/59/11/22/1071591122.db2.gz JSLDGEBKMIECRM-WGJPBTIMSA-N 0 0 747.880 6.019 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408989840 1071595299 /nfs/dbraw/zinc/59/52/99/1071595299.db2.gz UKCRRFMOVDTUAT-FPWMYLJGSA-N 0 0 688.633 6.667 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408728620 1071596446 /nfs/dbraw/zinc/59/64/46/1071596446.db2.gz PXQIAJVSNAQTKI-JBDHCHCMSA-N 0 0 667.569 5.127 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408728621 1071596507 /nfs/dbraw/zinc/59/65/07/1071596507.db2.gz PXQIAJVSNAQTKI-PIXWUVMMSA-N 0 0 667.569 5.127 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408989682 1071596605 /nfs/dbraw/zinc/59/66/05/1071596605.db2.gz VBXAXKAULOIJDV-JESJEVRBSA-N 0 0 729.640 6.265 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc(C)c(C)c1 ZINC000408988979 1071598991 /nfs/dbraw/zinc/59/89/91/1071598991.db2.gz SVZKPUXBULLOTH-MIUGUJGPSA-N 0 0 574.146 5.865 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739284 1071605065 /nfs/dbraw/zinc/60/50/65/1071605065.db2.gz VCDZJJCMWOXCBE-PRLWALMFSA-N 0 0 576.118 5.258 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408988306 1071606206 /nfs/dbraw/zinc/60/62/06/1071606206.db2.gz RZDGBMYWOYJWOM-ARLGEPFESA-N 0 0 671.957 5.448 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3I)C2=O)cc1Br ZINC000408987890 1071609843 /nfs/dbraw/zinc/60/98/43/1071609843.db2.gz ZORKEXOCOUPRBK-XMHGGMMESA-N 0 0 572.240 6.924 40 10 KKCBRN COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1 ZINC000408738402 1071609956 /nfs/dbraw/zinc/60/99/56/1071609956.db2.gz WXPYIEREFYBSCO-HEHNFIMWSA-N 0 0 526.386 6.967 40 10 KKCBRN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4SC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988078 1071609168 /nfs/dbraw/zinc/60/91/68/1071609168.db2.gz CLBKSFWFWDZSMK-NHDPSOOVSA-N 0 0 564.695 6.405 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738178 1071610369 /nfs/dbraw/zinc/61/03/69/1071610369.db2.gz IXGAAGJTLCFALO-VWGWLNKZSA-N 0 0 617.771 6.272 40 10 KKCBRN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1 ZINC000408738234 1071611075 /nfs/dbraw/zinc/61/10/75/1071611075.db2.gz SJHLJFBQPFFTFB-XSFVSMFZSA-N 0 0 598.267 8.638 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408744738 1071615490 /nfs/dbraw/zinc/61/54/90/1071615490.db2.gz ZQOQGCSFJUTADZ-LPYMAVHISA-N 0 0 592.283 7.934 40 10 KKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1 ZINC000408737859 1071612123 /nfs/dbraw/zinc/61/21/23/1071612123.db2.gz IMMWXOBVLPJKLY-RELWKKBWSA-N 0 0 512.403 7.579 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408737740 1071612530 /nfs/dbraw/zinc/61/25/30/1071612530.db2.gz GGBZRIHXCJPEER-CAPFRKAQSA-N 0 0 560.347 6.931 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408737959 1071612573 /nfs/dbraw/zinc/61/25/73/1071612573.db2.gz LPVBMJXYKUKFQP-XMHGGMMESA-N 0 0 584.240 8.329 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408737501 1071614059 /nfs/dbraw/zinc/61/40/59/1071614059.db2.gz BWEFBRCSIXBHNE-OQKWZONESA-N 0 0 525.402 7.139 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408737462 1071614072 /nfs/dbraw/zinc/61/40/72/1071614072.db2.gz AZTKSJUIHWJJKU-IMRQLAEWSA-N 0 0 597.534 7.393 40 10 KKCBRN C=C/C=C\C=C(/C)C1=C/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccccc1C(=O)OC ZINC000408737549 1071614223 /nfs/dbraw/zinc/61/42/23/1071614223.db2.gz DASSTPHAUBIPCK-UAOISWKPSA-N 0 0 532.423 8.043 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408997109 1071615340 /nfs/dbraw/zinc/61/53/40/1071615340.db2.gz REMDVBASOGTTJU-QPWQWLJXSA-N 0 0 634.621 5.486 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1ccccc1 ZINC000408744046 1071616667 /nfs/dbraw/zinc/61/66/67/1071616667.db2.gz WAQCESPRLPQBAK-YBFXNURJSA-N 0 0 542.223 6.781 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408743876 1071617250 /nfs/dbraw/zinc/61/72/50/1071617250.db2.gz VUKRMJNQBFKKID-GIJQJNRQSA-N 0 0 625.140 8.477 40 10 KKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408742985 1071619564 /nfs/dbraw/zinc/61/95/64/1071619564.db2.gz QYPUUQQUYYWEOI-VCHYOVAHSA-N 0 0 640.642 7.110 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408741968 1071622808 /nfs/dbraw/zinc/62/28/08/1071622808.db2.gz MEPFHQCJTGHQSO-YBFXNURJSA-N 0 0 546.244 7.715 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408741008 1071627946 /nfs/dbraw/zinc/62/79/46/1071627946.db2.gz GJUSGNHVQRFBAA-VCHYOVAHSA-N 0 0 532.217 7.325 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408740620 1071628987 /nfs/dbraw/zinc/62/89/87/1071628987.db2.gz COVVTDXPCDBJKS-VUTHCHCSSA-N 0 0 563.679 6.246 40 10 KKCBRN CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1I ZINC000408740542 1071629740 /nfs/dbraw/zinc/62/97/40/1071629740.db2.gz BYGWJZDGJSYOQC-AWNIVKPZSA-N 0 0 637.005 5.565 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408740361 1071630309 /nfs/dbraw/zinc/63/03/09/1071630309.db2.gz BIZIQQKSCWLMAJ-WOJGMQOQSA-N 0 0 591.093 7.534 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409005161 1071631120 /nfs/dbraw/zinc/63/11/20/1071631120.db2.gz CUERDMTUBRAVRT-NFYDWNOTSA-N 0 0 600.955 6.166 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409002901 1071639243 /nfs/dbraw/zinc/63/92/43/1071639243.db2.gz CFPJDQBVXAZCHY-JVWAILMASA-N 0 0 555.631 5.152 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c(OC)c1 ZINC000409002429 1071640771 /nfs/dbraw/zinc/64/07/71/1071640771.db2.gz UPJSFWHLQLTCLF-CTVOUCONSA-N 0 0 550.702 5.825 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408755919 1071642183 /nfs/dbraw/zinc/64/21/83/1071642183.db2.gz WVDRGNDMQPUMKF-VXLYETTFSA-N 0 0 562.703 8.459 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409001866 1071642944 /nfs/dbraw/zinc/64/29/44/1071642944.db2.gz XEVTYQGETHSGML-BXTSTYNKSA-N 0 0 520.676 5.817 40 10 KKCBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000409001749 1071643949 /nfs/dbraw/zinc/64/39/49/1071643949.db2.gz RBKPGFKVNHCEOT-WOJGMQOQSA-N 0 0 537.822 6.880 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000953 1071647158 /nfs/dbraw/zinc/64/71/58/1071647158.db2.gz OBKCFHQCWCEFBS-SMMDIQCVSA-N 0 0 616.699 6.065 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408998535 1071659121 /nfs/dbraw/zinc/65/91/21/1071659121.db2.gz REDSWEYQIOAOAW-UHFFFAOYSA-N 0 0 545.414 6.777 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408997446 1071663324 /nfs/dbraw/zinc/66/33/24/1071663324.db2.gz GDZMZMACVVNUMZ-VYKTZEHYSA-N 0 0 539.122 6.770 40 10 KKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408752305 1071664885 /nfs/dbraw/zinc/66/48/85/1071664885.db2.gz HQSLOTVJRXLCHD-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409016955 1071665553 /nfs/dbraw/zinc/66/55/53/1071665553.db2.gz BSBQZQSODYYRGA-PRPIGUFTSA-N 0 0 691.806 5.455 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409016709 1071665992 /nfs/dbraw/zinc/66/59/92/1071665992.db2.gz GVLOJWCAJZAGEJ-GSASKQFNSA-N 0 0 637.205 6.063 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014997 1071673349 /nfs/dbraw/zinc/67/33/49/1071673349.db2.gz QVNGASLVSARYED-YDZHTSKRSA-N 0 0 568.913 7.213 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409015082 1071673770 /nfs/dbraw/zinc/67/37/70/1071673770.db2.gz YMZBCOGLTXCYST-RUMWWMSVSA-N 0 0 661.176 6.990 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409014945 1071674532 /nfs/dbraw/zinc/67/45/32/1071674532.db2.gz QXDRUYIDYKODRD-UDWIEESQSA-N 0 0 581.861 5.596 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014374 1071675582 /nfs/dbraw/zinc/67/55/82/1071675582.db2.gz PCRTUQVAYXPHQP-AJBULDERSA-N 0 0 612.704 5.865 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n21 ZINC000409013698 1071678758 /nfs/dbraw/zinc/67/87/58/1071678758.db2.gz DBLGHMINIOTCJD-FJNIOPPGSA-N 0 0 663.638 5.431 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409011630 1071686880 /nfs/dbraw/zinc/68/68/80/1071686880.db2.gz OAIXSSJYCYKSJK-LQKURTRISA-N 0 0 529.999 6.559 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012365 1071684124 /nfs/dbraw/zinc/68/41/24/1071684124.db2.gz JLZWRCBRMQJIAK-UZLYPIQISA-N 0 0 645.177 7.066 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409011649 1071686902 /nfs/dbraw/zinc/68/69/02/1071686902.db2.gz HXECTQSBGUWUDY-AJBULDERSA-N 0 0 631.150 6.900 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009562 1071695178 /nfs/dbraw/zinc/69/51/78/1071695178.db2.gz GFAKMIJWUCIBHY-QOLAWOKTSA-N 0 0 610.732 6.413 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009497 1071695604 /nfs/dbraw/zinc/69/56/04/1071695604.db2.gz AMOLUOFRWUQCTG-UZWMFBFFSA-N 0 0 645.177 7.208 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009282 1071696186 /nfs/dbraw/zinc/69/61/86/1071696186.db2.gz CULVJOLPMOMGEF-UMBPSLTKSA-N 0 0 624.759 6.721 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(C)cc4)S(=O)(=O)c4ccc(Cl)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409017153 1071704150 /nfs/dbraw/zinc/70/41/50/1071704150.db2.gz FCBXYCJLCUYUTE-UZWMFBFFSA-N 0 0 661.176 6.908 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408758781 1071703531 /nfs/dbraw/zinc/70/35/31/1071703531.db2.gz RBSKNXTWOWWQEI-JXAWBTAJSA-N 0 0 513.762 6.425 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409007325 1071703536 /nfs/dbraw/zinc/70/35/36/1071703536.db2.gz PIHXAADMVDLKJJ-APSNUPSMSA-N 0 0 582.166 7.319 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408759249 1071701901 /nfs/dbraw/zinc/70/19/01/1071701901.db2.gz ANLLUIQJDDLNJM-JOHYPREOSA-N 0 0 745.639 5.965 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409025088 1071709925 /nfs/dbraw/zinc/70/99/25/1071709925.db2.gz QIXVJOQHGYQGFI-ZDLGFXPLSA-N 0 0 554.260 5.296 40 10 KKCBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C ZINC000408758132 1071708275 /nfs/dbraw/zinc/70/82/75/1071708275.db2.gz VRWJYMWFKULENH-BUVRLJJBSA-N 0 0 532.385 6.053 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408757564 1071710736 /nfs/dbraw/zinc/71/07/36/1071710736.db2.gz ZYTYJBKMMXLTIM-UDWIEESQSA-N 0 0 500.165 6.185 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409024340 1071712285 /nfs/dbraw/zinc/71/22/85/1071712285.db2.gz QSLGWEGDGPQASN-DWLKXISJSA-N 0 0 619.787 6.456 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000409024079 1071713228 /nfs/dbraw/zinc/71/32/28/1071713228.db2.gz UILBJSVYLNXERU-GSASKQFNSA-N 0 0 631.754 5.438 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023764 1071714105 /nfs/dbraw/zinc/71/41/05/1071714105.db2.gz OXYJXFIYSGGEDZ-YVBHXKDBSA-N 0 0 649.611 5.043 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409021719 1071721446 /nfs/dbraw/zinc/72/14/46/1071721446.db2.gz UXAFDQXZDSYUQX-KGENOOAVSA-N 0 0 540.458 5.949 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023213 1071716393 /nfs/dbraw/zinc/71/63/93/1071716393.db2.gz VAURVEIHOQYRHK-HNVAQCFTSA-N 0 0 682.640 6.423 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408766931 1071716866 /nfs/dbraw/zinc/71/68/66/1071716866.db2.gz XDBLZTBRCMKDDB-PXLXIMEGSA-N 0 0 519.022 6.805 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409022602 1071718035 /nfs/dbraw/zinc/71/80/35/1071718035.db2.gz CGDSESDGWNUVAT-HMAPJEAMSA-N 0 0 519.981 5.813 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020428 1071726951 /nfs/dbraw/zinc/72/69/51/1071726951.db2.gz PECDQZUKZMDCQI-LDADJPATSA-N 0 0 516.362 5.725 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409020823 1071724833 /nfs/dbraw/zinc/72/48/33/1071724833.db2.gz UIQOLUZOVPAVAD-MFKUBSTISA-N 0 0 562.022 5.072 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409020864 1071725279 /nfs/dbraw/zinc/72/52/79/1071725279.db2.gz UWPWZRMNSVYQCT-IWIPYMOSSA-N 0 0 539.459 6.325 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409018931 1071730938 /nfs/dbraw/zinc/73/09/38/1071730938.db2.gz XHTBJEKBOOJZFS-JESJEVRBSA-N 0 0 638.189 6.314 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409018514 1071732143 /nfs/dbraw/zinc/73/21/43/1071732143.db2.gz HPXSVEKKNWLLGM-GZTJUZNOSA-N 0 0 537.863 5.464 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409018470 1071732149 /nfs/dbraw/zinc/73/21/49/1071732149.db2.gz WXZFVBZPMQXRGZ-JVWAILMASA-N 0 0 583.106 5.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037201 1071736940 /nfs/dbraw/zinc/73/69/40/1071736940.db2.gz SMXGORQRHANTCW-UJOYXPLYSA-N 0 0 748.298 5.827 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409037078 1071738254 /nfs/dbraw/zinc/73/82/54/1071738254.db2.gz XKAALLMIOVTOGY-YBFXNURJSA-N 0 0 543.923 7.461 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409018211 1071733088 /nfs/dbraw/zinc/73/30/88/1071733088.db2.gz RFELQZVZYHXCEN-UFKHLRDRSA-N 0 0 649.744 5.577 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409037099 1071738636 /nfs/dbraw/zinc/73/86/36/1071738636.db2.gz SDXWARGPWJCTJM-NTEUORMPSA-N 0 0 527.276 7.074 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408761700 1071738844 /nfs/dbraw/zinc/73/88/44/1071738844.db2.gz KVNZWFGBSITLQV-XIEYBQDHSA-N 0 0 509.030 7.941 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccnc1 ZINC000408770680 1071741573 /nfs/dbraw/zinc/74/15/73/1071741573.db2.gz AHXMGZLSZJOCBU-PKAZHMFMSA-N 0 0 506.631 5.854 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408770001 1071744695 /nfs/dbraw/zinc/74/46/95/1071744695.db2.gz RQKSJLFDXJPKDL-DBHVVYFFSA-N 0 0 612.582 7.042 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035969 1071747877 /nfs/dbraw/zinc/74/78/77/1071747877.db2.gz UWXURKQYSBNARA-ZUZQMJOLSA-N 0 0 735.859 5.735 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408770021 1071745157 /nfs/dbraw/zinc/74/51/57/1071745157.db2.gz RWYWHKOYKYQNSU-ASUJOLEISA-N 0 0 592.562 6.489 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408770022 1071745208 /nfs/dbraw/zinc/74/52/08/1071745208.db2.gz RWYWHKOYKYQNSU-OGMUYLFESA-N 0 0 592.562 6.489 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408776693 1071747898 /nfs/dbraw/zinc/74/78/98/1071747898.db2.gz QEUSHRLLWCOANX-IMRQLAEWSA-N 0 0 516.638 5.398 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408777243 1071746068 /nfs/dbraw/zinc/74/60/68/1071746068.db2.gz XBVMRRDPDUCDFO-GARKAJJMSA-N 0 0 605.785 6.065 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)S2)cc1 ZINC000408776797 1071748570 /nfs/dbraw/zinc/74/85/70/1071748570.db2.gz QTFHQHVPEJZAAB-IMUCPKNRSA-N 0 0 527.665 6.974 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408776170 1071750912 /nfs/dbraw/zinc/75/09/12/1071750912.db2.gz UTHRFFBILBBJKZ-UHFFFAOYSA-N 0 0 587.417 6.282 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034844 1071756016 /nfs/dbraw/zinc/75/60/16/1071756016.db2.gz REDAURXLZGJIBF-WXKAHTKJSA-N 0 0 641.834 6.299 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000409034740 1071757539 /nfs/dbraw/zinc/75/75/39/1071757539.db2.gz NYLSUOVZYKFAEP-UQDCTOEPSA-N 0 0 598.165 5.095 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034322 1071761871 /nfs/dbraw/zinc/76/18/71/1071761871.db2.gz NFVUZQOUDXKIAH-UAMLYEQYSA-N 0 0 603.716 5.141 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000409034098 1071762416 /nfs/dbraw/zinc/76/24/16/1071762416.db2.gz GPTDOJGCSRAWHY-WQRHYEAKSA-N 0 0 529.896 7.153 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000409033947 1071763915 /nfs/dbraw/zinc/76/39/15/1071763915.db2.gz GNSKWQRONVHZHI-CXUHLZMHSA-N 0 0 598.309 6.680 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409033885 1071766195 /nfs/dbraw/zinc/76/61/95/1071766195.db2.gz MPSZVDKQGCMFKF-LICLKQGHSA-N 0 0 537.282 6.530 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408772894 1071770674 /nfs/dbraw/zinc/77/06/74/1071770674.db2.gz SFULHMLWUHGPKT-ONUIUJJFSA-N 0 0 550.596 6.147 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC1=S ZINC000409033019 1071774945 /nfs/dbraw/zinc/77/49/45/1071774945.db2.gz KEGRQAPSAZCQDJ-NVMNQCDNSA-N 0 0 680.327 6.240 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409032531 1071779140 /nfs/dbraw/zinc/77/91/40/1071779140.db2.gz JEYOOSXWETUQDF-FHQMNNMHSA-N 0 0 608.135 5.786 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1F ZINC000409032545 1071779173 /nfs/dbraw/zinc/77/91/73/1071779173.db2.gz JVSFUVRVDDZMQO-OVCLIPMQSA-N 0 0 599.325 7.068 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409030721 1071796833 /nfs/dbraw/zinc/79/68/33/1071796833.db2.gz HOJIICNTISXPFM-YVLHZVERSA-N 0 0 515.869 6.845 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000409030521 1071797847 /nfs/dbraw/zinc/79/78/47/1071797847.db2.gz GCQHNPNLYNPXNL-RIYZIHGNSA-N 0 0 618.727 7.025 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768673 1071798324 /nfs/dbraw/zinc/79/83/24/1071798324.db2.gz JNEJMCOWWYWHRZ-VIYYDIFJSA-N 0 0 715.464 5.748 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409030099 1071801470 /nfs/dbraw/zinc/80/14/70/1071801470.db2.gz CIUBFTZZSGVJQF-MLPAPPSSSA-N 0 0 596.166 8.381 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409029989 1071803756 /nfs/dbraw/zinc/80/37/56/1071803756.db2.gz BGQOBFTZYRPNTF-WUXMJOGZSA-N 0 0 577.300 5.291 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409029544 1071809053 /nfs/dbraw/zinc/80/90/53/1071809053.db2.gz BKWXWPZUTLYUQV-CHHVJCJISA-N 0 0 561.721 7.727 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000409029396 1071809291 /nfs/dbraw/zinc/80/92/91/1071809291.db2.gz AKXOOPXNVDFBEV-AUWJEWJLSA-N 0 0 582.279 6.438 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000409037643 1071821050 /nfs/dbraw/zinc/82/10/50/1071821050.db2.gz UDWAEOBFSFQCGU-ZDLGFXPLSA-N 0 0 515.869 6.845 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409037725 1071822323 /nfs/dbraw/zinc/82/23/23/1071822323.db2.gz YRNBFRIQFZVHDF-IUXPMGMMSA-N 0 0 550.314 7.498 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000408780493 1071823574 /nfs/dbraw/zinc/82/35/74/1071823574.db2.gz CKSXKNGOBKSWDA-ULJHMMPZSA-N 0 0 505.014 6.414 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408779535 1071829527 /nfs/dbraw/zinc/82/95/27/1071829527.db2.gz XXUQQOSVDOJQIW-OKMHPQNISA-N 0 0 611.098 6.427 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409046850 1071828797 /nfs/dbraw/zinc/82/87/97/1071828797.db2.gz KXWZFEVNBNVRME-WZUFQYTHSA-N 0 0 523.241 5.437 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409047241 1071825688 /nfs/dbraw/zinc/82/56/88/1071825688.db2.gz LZHYGRCZKNFKBY-ZVHZXABRSA-N 0 0 569.477 6.035 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408779333 1071830216 /nfs/dbraw/zinc/83/02/16/1071830216.db2.gz CVZGZEISADJAEV-YUMHPJSZSA-N 0 0 706.456 8.164 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000409046614 1071831487 /nfs/dbraw/zinc/83/14/87/1071831487.db2.gz RVKOTRILWJSWLW-CSJROMOCSA-N 0 0 568.139 5.087 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409046443 1071832828 /nfs/dbraw/zinc/83/28/28/1071832828.db2.gz KFGCGIXTEMIBSR-RIYZIHGNSA-N 0 0 606.172 7.837 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409046240 1071833349 /nfs/dbraw/zinc/83/33/49/1071833349.db2.gz JLXPMRPWKAYVBP-UDWIEESQSA-N 0 0 600.263 5.856 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000408778928 1071833392 /nfs/dbraw/zinc/83/33/92/1071833392.db2.gz NAJCPUBFYYPSHR-XYGWBWBKSA-N 0 0 533.466 6.741 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045462 1071841355 /nfs/dbraw/zinc/84/13/55/1071841355.db2.gz PQFLGDUIJPPGDR-FVUNBJOLSA-N 0 0 613.780 5.618 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045465 1071841410 /nfs/dbraw/zinc/84/14/10/1071841410.db2.gz PQFLGDUIJPPGDR-KFOJKGMOSA-N 0 0 613.780 5.618 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408778545 1071836965 /nfs/dbraw/zinc/83/69/65/1071836965.db2.gz GYHIYTKMQJIQHN-IGSNNMATSA-N 0 0 653.779 7.149 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000409045901 1071838916 /nfs/dbraw/zinc/83/89/16/1071838916.db2.gz JOLXCSYPCMFCOK-NVMNQCDNSA-N 0 0 632.339 7.591 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408778056 1071839437 /nfs/dbraw/zinc/83/94/37/1071839437.db2.gz PNDZLPWTSBKRQB-DAIZXWHWSA-N 0 0 619.812 6.373 40 10 KKCBRN CC(C)COc1c(Cl)cc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409045691 1071839617 /nfs/dbraw/zinc/83/96/17/1071839617.db2.gz HDCHQLDYYHOCTJ-UHFFFAOYSA-N 0 0 509.389 6.612 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409043834 1071856298 /nfs/dbraw/zinc/85/62/98/1071856298.db2.gz ZXIDHKUTVKLGDY-JAIQZWGSSA-N 0 0 587.932 6.780 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409043814 1071856435 /nfs/dbraw/zinc/85/64/35/1071856435.db2.gz ARUWSYKPNYJLIT-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409043411 1071860559 /nfs/dbraw/zinc/86/05/59/1071860559.db2.gz QQTBXPUSMDMZAH-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043200 1071861489 /nfs/dbraw/zinc/86/14/89/1071861489.db2.gz YDKQMQSDDUHXCN-ADVVJVSQSA-N 0 0 753.849 5.874 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)SC1=S ZINC000409042864 1071863790 /nfs/dbraw/zinc/86/37/90/1071863790.db2.gz DDMJIORZERZKBA-QRVIBDJDSA-N 0 0 512.494 7.039 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042510 1071870554 /nfs/dbraw/zinc/87/05/54/1071870554.db2.gz XZLVSAXKLFGJQZ-OWJNKBIGSA-N 0 0 782.897 6.216 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(C)C)c(Br)c3)sc2=N1 ZINC000409042528 1071870538 /nfs/dbraw/zinc/87/05/38/1071870538.db2.gz YENKVLHICQZXPA-AQIZGWBQSA-N 0 0 663.432 5.178 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2cccc(Cl)c2)c2ccccc12 ZINC000409042156 1071872822 /nfs/dbraw/zinc/87/28/22/1071872822.db2.gz WJNTYUCSEKEJIZ-UDWIEESQSA-N 0 0 558.959 8.287 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCc2ccc(Cl)cc2)c1 ZINC000409042005 1071873840 /nfs/dbraw/zinc/87/38/40/1071873840.db2.gz WVYALDXYXRVDLJ-NDENLUEZSA-N 0 0 563.954 7.267 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)sc2=N1 ZINC000409042009 1071874006 /nfs/dbraw/zinc/87/40/06/1071874006.db2.gz WWAYHBBWYBXQPO-WWWKDLBZSA-N 0 0 547.680 5.359 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408782828 1071874261 /nfs/dbraw/zinc/87/42/61/1071874261.db2.gz JYTIPNDRKCCVKA-ZMTYCLHQSA-N 0 0 627.553 6.941 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409042013 1071874619 /nfs/dbraw/zinc/87/46/19/1071874619.db2.gz WXEXGEFIKRXGQS-NVMNQCDNSA-N 0 0 575.775 7.301 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409040686 1071887521 /nfs/dbraw/zinc/88/75/21/1071887521.db2.gz UBQDMXBZYZIZMO-RIYZIHGNSA-N 0 0 555.272 6.669 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409040755 1071887907 /nfs/dbraw/zinc/88/79/07/1071887907.db2.gz YNTHCTZBVSTLFS-IMUCPKNRSA-N 0 0 615.752 5.010 40 10 KKCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)S2)cc1 ZINC000408791219 1071891639 /nfs/dbraw/zinc/89/16/39/1071891639.db2.gz XJBQVKMPNZVHMB-SFKHYTNKSA-N 0 0 541.633 6.352 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038829 1071904756 /nfs/dbraw/zinc/90/47/56/1071904756.db2.gz FSENDOSVEVWDFI-QPKMOXKASA-N 0 0 726.295 7.234 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039434 1071899846 /nfs/dbraw/zinc/89/98/46/1071899846.db2.gz GOFGJIPCAMABKU-IVQFASICSA-N 0 0 725.649 5.915 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409050582 1071911093 /nfs/dbraw/zinc/91/10/93/1071911093.db2.gz XGAIBCWLMVSSQL-UHFFFAOYSA-N 0 0 666.753 8.027 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409057185 1071917596 /nfs/dbraw/zinc/91/75/96/1071917596.db2.gz UTPJYLUPIDUSNR-NDENLUEZSA-N 0 0 549.376 7.297 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409056137 1071922548 /nfs/dbraw/zinc/92/25/48/1071922548.db2.gz MRAKTRGSFVFPSQ-QRVIBDJDSA-N 0 0 539.857 6.696 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409056182 1071923211 /nfs/dbraw/zinc/92/32/11/1071923211.db2.gz GOQKKAYDTNXZOT-HAHDFKILSA-N 0 0 549.421 5.520 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)OC)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409055935 1071925174 /nfs/dbraw/zinc/92/51/74/1071925174.db2.gz QLTHYGHUVXUDGT-UQQQWYQISA-N 0 0 514.578 5.157 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409055696 1071925197 /nfs/dbraw/zinc/92/51/97/1071925197.db2.gz DDWIGCARTUYSRR-CFRMEGHHSA-N 0 0 542.488 6.111 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409055767 1071925635 /nfs/dbraw/zinc/92/56/35/1071925635.db2.gz BAGQKICNFBVUCN-JAIQZWGSSA-N 0 0 545.850 6.940 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409055757 1071925742 /nfs/dbraw/zinc/92/57/42/1071925742.db2.gz AWBLAQKQXBGEOY-STGXNMSHSA-N 0 0 581.763 5.258 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)SC2=S)cc1 ZINC000409053972 1071935652 /nfs/dbraw/zinc/93/56/52/1071935652.db2.gz PEPVJLFFEBVGDY-UUYOSTAYSA-N 0 0 634.371 7.409 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409054606 1071933530 /nfs/dbraw/zinc/93/35/30/1071933530.db2.gz AEQLWJJXTZHDOA-UQQQWYQISA-N 0 0 500.595 5.687 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409054121 1071934550 /nfs/dbraw/zinc/93/45/50/1071934550.db2.gz MTFZORANCIBXNI-GATIEOLUSA-N 0 0 509.433 6.895 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=S)cc1 ZINC000409053558 1071939304 /nfs/dbraw/zinc/93/93/04/1071939304.db2.gz ZOLFTHMEQQKWOZ-MXAYSNPKSA-N 0 0 523.510 7.706 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409052723 1071944870 /nfs/dbraw/zinc/94/48/70/1071944870.db2.gz LVXNYLUNWRQZPD-QRVIBDJDSA-N 0 0 632.501 6.497 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409051661 1071950297 /nfs/dbraw/zinc/95/02/97/1071950297.db2.gz BFLLIBHNVPNTBW-POKSHJSXSA-N 0 0 614.167 5.506 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409049093 1071967922 /nfs/dbraw/zinc/96/79/22/1071967922.db2.gz WEFXFMWRWZJFTF-UDWIEESQSA-N 0 0 560.673 7.250 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409049113 1071968254 /nfs/dbraw/zinc/96/82/54/1071968254.db2.gz QAPKZAJWFNPNTL-MLPAPPSSSA-N 0 0 685.068 8.599 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409048090 1071975669 /nfs/dbraw/zinc/97/56/69/1071975669.db2.gz REXAWMKUFXDUFF-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409047742 1071977831 /nfs/dbraw/zinc/97/78/31/1071977831.db2.gz PHWOKEOTCGXKMA-UHFFFAOYSA-N 0 0 565.070 5.012 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409058448 1071987616 /nfs/dbraw/zinc/98/76/16/1071987616.db2.gz XVWIJBGKQLICPN-JUNLCRQGSA-N 0 0 557.760 5.611 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058232 1071988690 /nfs/dbraw/zinc/98/86/90/1071988690.db2.gz JOQPXICBTSAYLS-IWIPYMOSSA-N 0 0 521.013 6.032 40 10 KKCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409063122 1071996873 /nfs/dbraw/zinc/99/68/73/1071996873.db2.gz HHUHMPUEMFCNFX-UHFFFAOYSA-N 0 0 633.661 6.042 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409057553 1071993029 /nfs/dbraw/zinc/99/30/29/1071993029.db2.gz KBJQQHWNDQQDHA-BKUYFWCQSA-N 0 0 525.432 6.595 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409064351 1072015627 /nfs/dbraw/zinc/01/56/27/1072015627.db2.gz PANILGYWJQANMQ-ZGOFBEGVSA-N 0 0 546.092 5.168 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409062633 1072023790 /nfs/dbraw/zinc/02/37/90/1072023790.db2.gz YBHKSDBATGLJEV-POKSHJSXSA-N 0 0 658.618 5.615 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409062281 1072024746 /nfs/dbraw/zinc/02/47/46/1072024746.db2.gz RGMYFXPCHRBZLU-ASZNLBCTSA-N 0 0 580.150 5.149 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409061955 1072026855 /nfs/dbraw/zinc/02/68/55/1072026855.db2.gz KLJOWSFIPLKDRM-HAHDFKILSA-N 0 0 504.970 5.411 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000409061621 1072028425 /nfs/dbraw/zinc/02/84/25/1072028425.db2.gz YOLUBURLPGWTIM-IWIPYMOSSA-N 0 0 500.595 5.605 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409060877 1072031769 /nfs/dbraw/zinc/03/17/69/1072031769.db2.gz WVNUBFBNXQEKNU-AQHIEDMUSA-N 0 0 529.851 7.240 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409059832 1072037399 /nfs/dbraw/zinc/03/73/99/1072037399.db2.gz XQPUPDJGCDYSDX-LICLKQGHSA-N 0 0 501.753 5.892 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409059707 1072038931 /nfs/dbraw/zinc/03/89/31/1072038931.db2.gz NMJZOGZKIMTCKR-AQHIEDMUSA-N 0 0 549.376 7.297 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000409076879 1072044310 /nfs/dbraw/zinc/04/43/10/1072044310.db2.gz BQKHMJPMWODDKQ-ASUJOLEISA-N 0 0 619.703 5.198 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409076723 1072046409 /nfs/dbraw/zinc/04/64/09/1072046409.db2.gz CBHUGYHHIRLTOT-BCUAHEQISA-N 0 0 535.441 5.317 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)S1 ZINC000409076477 1072050445 /nfs/dbraw/zinc/05/04/45/1072050445.db2.gz ABVPVWWAPOXSPY-OMCISZLKSA-N 0 0 579.097 6.204 40 10 KKCBRN O=C1C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409076269 1072054306 /nfs/dbraw/zinc/05/43/06/1072054306.db2.gz AIPIFWWFANGBMO-UHFFFAOYSA-N 0 0 550.483 5.879 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076017 1072054685 /nfs/dbraw/zinc/05/46/85/1072054685.db2.gz WOKGSSOKXGDIKF-UHFFFAOYSA-N 0 0 714.921 6.304 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409073345 1072076995 /nfs/dbraw/zinc/07/69/95/1072076995.db2.gz MLIHAXGNMUQRLE-JVWAILMASA-N 0 0 542.592 6.386 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409073606 1072074841 /nfs/dbraw/zinc/07/48/41/1072074841.db2.gz QNCZQSSMAYDRDQ-UHFFFAOYSA-N 0 0 637.895 6.454 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409071298 1072090949 /nfs/dbraw/zinc/09/09/49/1072090949.db2.gz GNXAPWJQBSJKSH-KGENOOAVSA-N 0 0 588.423 5.264 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409071429 1072089935 /nfs/dbraw/zinc/08/99/35/1072089935.db2.gz JYEWLZAHCDDFEK-MAKCPWPFSA-N 0 0 508.571 5.410 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079680 1072131342 /nfs/dbraw/zinc/13/13/42/1072131342.db2.gz LNKQGRHIBYYCGR-HNIBHBHRSA-N 0 0 514.883 6.606 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409079217 1072135896 /nfs/dbraw/zinc/13/58/96/1072135896.db2.gz AERIAACTCGPYRO-BWAHOGKJSA-N 0 0 573.468 6.360 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409079101 1072137659 /nfs/dbraw/zinc/13/76/59/1072137659.db2.gz JUIGYXJOIWTHSC-HQOKVJKCSA-N 0 0 603.387 7.114 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078192 1072146509 /nfs/dbraw/zinc/14/65/09/1072146509.db2.gz GXTQGDMXEJHPBO-UHFFFAOYSA-N 0 0 603.509 6.998 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077949 1072150127 /nfs/dbraw/zinc/15/01/27/1072150127.db2.gz GMTIRGRQOYMYLV-XYGWBWBKSA-N 0 0 633.296 7.533 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409087082 1072158237 /nfs/dbraw/zinc/15/82/37/1072158237.db2.gz GEYJESSFNSKFJX-IWEBCOIVSA-N 0 0 538.460 5.556 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409086822 1072161131 /nfs/dbraw/zinc/16/11/31/1072161131.db2.gz BKHOQQLEVZCSMX-UHFFFAOYSA-N 0 0 584.928 6.532 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)S1 ZINC000409077439 1072157216 /nfs/dbraw/zinc/15/72/16/1072157216.db2.gz DWNGKSNWSFMGHD-LZYBPNLTSA-N 0 0 500.201 5.441 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409077292 1072157244 /nfs/dbraw/zinc/15/72/44/1072157244.db2.gz DLYMKNIJLPYJLR-ISRVBRPNSA-N 0 0 535.441 5.317 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409086065 1072169867 /nfs/dbraw/zinc/16/98/67/1072169867.db2.gz QAQFRJWTKOJKRY-BYINCCNUSA-N 0 0 520.470 5.417 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409086425 1072166912 /nfs/dbraw/zinc/16/69/12/1072166912.db2.gz VNXDHESHFQJMKD-LZAZYHHXSA-N 0 0 534.497 5.807 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409086486 1072167533 /nfs/dbraw/zinc/16/75/33/1072167533.db2.gz ZUJNQMJANSTFOU-ULJHMMPZSA-N 0 0 636.467 5.902 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1F ZINC000409085823 1072173262 /nfs/dbraw/zinc/17/32/62/1072173262.db2.gz ZUPDHFHGQQLTMR-JLPGSUDCSA-N 0 0 604.419 6.852 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409085818 1072173286 /nfs/dbraw/zinc/17/32/86/1072173286.db2.gz ZTOBWHJKWISKTK-UQQQWYQISA-N 0 0 543.450 7.806 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085756 1072175977 /nfs/dbraw/zinc/17/59/77/1072175977.db2.gz DDKNNLSAOJIXLP-ITYLOYPMSA-N 0 0 554.400 6.771 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409085737 1072176065 /nfs/dbraw/zinc/17/60/65/1072176065.db2.gz ZUVRCMHJCXJYRL-DXTKDLSISA-N 0 0 703.030 6.168 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409085033 1072184390 /nfs/dbraw/zinc/18/43/90/1072184390.db2.gz NPZNJEHKCBAFKY-CVHFWEDTSA-N 0 0 534.497 5.807 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409084050 1072193392 /nfs/dbraw/zinc/19/33/92/1072193392.db2.gz WTCGZZBDELRESE-UHFFFAOYSA-N 0 0 708.275 7.404 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)S1 ZINC000409084008 1072196087 /nfs/dbraw/zinc/19/60/87/1072196087.db2.gz WZVOYCMMNWWLBC-FRKPEAEDSA-N 0 0 544.652 5.550 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083811 1072197070 /nfs/dbraw/zinc/19/70/70/1072197070.db2.gz WJZOVPPBDZRWBE-IWIPYMOSSA-N 0 0 667.195 8.388 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000409083707 1072199058 /nfs/dbraw/zinc/19/90/58/1072199058.db2.gz VNUKZUZCCJQDGI-OGMUYLFESA-N 0 0 609.151 5.943 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409083354 1072201604 /nfs/dbraw/zinc/20/16/04/1072201604.db2.gz OCAWTWZGZWOPNO-DMOKECBHSA-N 0 0 589.360 6.724 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082994 1072204255 /nfs/dbraw/zinc/20/42/55/1072204255.db2.gz RPXUVSKMSSJNCK-UQQQWYQISA-N 0 0 554.400 6.771 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409082490 1072211460 /nfs/dbraw/zinc/21/14/60/1072211460.db2.gz JIMUDAWWSAGIRQ-BCUAHEQISA-N 0 0 612.467 5.167 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409081706 1072219364 /nfs/dbraw/zinc/21/93/64/1072219364.db2.gz KSWANNOINSJKCG-CVKSISIWSA-N 0 0 757.477 8.941 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409081321 1072224553 /nfs/dbraw/zinc/22/45/53/1072224553.db2.gz PMFCLSKUOKMJJR-SOFYTKRASA-N 0 0 554.915 6.070 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000409327268 1072241016 /nfs/dbraw/zinc/24/10/16/1072241016.db2.gz ISLLAFIPGGLNBO-WPWMEQJKSA-N 0 0 513.640 6.842 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)cc1 ZINC000409095198 1072241595 /nfs/dbraw/zinc/24/15/95/1072241595.db2.gz GQPLZBNPGGWDFE-RDRPBHBLSA-N 0 0 628.732 7.227 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095239 1072242072 /nfs/dbraw/zinc/24/20/72/1072242072.db2.gz HCUSOTRRFVHMTP-KEPJHFNWSA-N 0 0 699.058 6.078 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409327066 1072243167 /nfs/dbraw/zinc/24/31/67/1072243167.db2.gz HIXAGLNBEXSKAF-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409326898 1072244092 /nfs/dbraw/zinc/24/40/92/1072244092.db2.gz GDSXIXYYVHXSGA-NUGSKGIGSA-N 0 0 686.376 7.710 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409326703 1072244940 /nfs/dbraw/zinc/24/49/40/1072244940.db2.gz DNMBOIGQWWMSLX-LPYMAVHISA-N 0 0 638.834 7.916 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409326608 1072246723 /nfs/dbraw/zinc/24/67/23/1072246723.db2.gz CNAHLDLSAXNLNI-KSEXSDGBSA-N 0 0 603.459 6.013 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 ZINC000409326452 1072248082 /nfs/dbraw/zinc/24/80/82/1072248082.db2.gz BVSVJBWDECHTEW-XKZIYDEJSA-N 0 0 505.577 5.327 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409326408 1072247147 /nfs/dbraw/zinc/24/71/47/1072247147.db2.gz BLRCPNPCAQXOGZ-YSURURNPSA-N 0 0 574.993 7.985 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094008 1072249238 /nfs/dbraw/zinc/24/92/38/1072249238.db2.gz CHTGPHGUQAEWHB-NSFGRKQPSA-N 0 0 660.840 6.195 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409092931 1072257011 /nfs/dbraw/zinc/25/70/11/1072257011.db2.gz WXULVCSEFLXEAI-UQQQWYQISA-N 0 0 527.393 7.002 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409092981 1072257459 /nfs/dbraw/zinc/25/74/59/1072257459.db2.gz YIOOOHSTXKGZDM-XYGWBWBKSA-N 0 0 512.968 6.901 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409092358 1072262202 /nfs/dbraw/zinc/26/22/02/1072262202.db2.gz UZGQCOYQJBMQOV-HAHDFKILSA-N 0 0 583.880 7.249 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091288 1072273742 /nfs/dbraw/zinc/27/37/42/1072273742.db2.gz PEXRGJMHXYXDEQ-BXMULHQWSA-N 0 0 664.622 5.684 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409091696 1072269764 /nfs/dbraw/zinc/26/97/64/1072269764.db2.gz TWUXAYUKZYGIAF-UMUMUWHJSA-N 0 0 615.942 6.303 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccccc1 ZINC000409091461 1072270058 /nfs/dbraw/zinc/27/00/58/1072270058.db2.gz UOSCTHLRUBAEAY-OGLMXYFKSA-N 0 0 570.667 7.071 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409091404 1072272351 /nfs/dbraw/zinc/27/23/51/1072272351.db2.gz TZTAVUSFKNXDHD-STBIYBPSSA-N 0 0 569.061 6.166 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC ZINC000409090487 1072280641 /nfs/dbraw/zinc/28/06/41/1072280641.db2.gz NLZCRPIVOGZGPD-JWGURIENSA-N 0 0 505.412 6.471 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)NC1=S ZINC000409089702 1072288518 /nfs/dbraw/zinc/28/85/18/1072288518.db2.gz JRDYOCIYQHYFGW-MFOYZWKCSA-N 0 0 500.245 5.803 40 10 KKCBRN COC(=O)Cn1c(C)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409089632 1072288043 /nfs/dbraw/zinc/28/80/43/1072288043.db2.gz OJGPCCMVLGJFBA-MFKUBSTISA-N 0 0 559.644 5.920 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089366 1072290371 /nfs/dbraw/zinc/29/03/71/1072290371.db2.gz MFBJITXSTHCTHF-VCHYOVAHSA-N 0 0 553.325 5.873 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409087948 1072304973 /nfs/dbraw/zinc/30/49/73/1072304973.db2.gz VEKPOJOUWNAPGT-WSLMLHKMSA-N 0 0 606.334 6.557 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409087761 1072305721 /nfs/dbraw/zinc/30/57/21/1072305721.db2.gz JVBAGMOSDQRGHT-LQKURTRISA-N 0 0 742.486 8.987 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2)cc1 ZINC000409100881 1072317711 /nfs/dbraw/zinc/31/77/11/1072317711.db2.gz XDBNRUDPNAXSGW-OGLMXYFKSA-N 0 0 554.668 7.371 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)cc1 ZINC000409100592 1072319665 /nfs/dbraw/zinc/31/96/65/1072319665.db2.gz VDOKCWFNMRVGTH-KOEQRZSOSA-N 0 0 501.608 5.514 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1OC ZINC000409336598 1072329024 /nfs/dbraw/zinc/32/90/24/1072329024.db2.gz QESHTUBAKOQUNU-CTVOUCONSA-N 0 0 550.702 5.825 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)c1 ZINC000409098513 1072330922 /nfs/dbraw/zinc/33/09/22/1072330922.db2.gz PABMBMLLPQJLDF-JVWAILMASA-N 0 0 585.638 6.971 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)c1 ZINC000409098342 1072331811 /nfs/dbraw/zinc/33/18/11/1072331811.db2.gz OITWXGQLHBWSAI-STBIYBPSSA-N 0 0 581.669 7.626 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OC(C)C ZINC000409098435 1072332297 /nfs/dbraw/zinc/33/22/97/1072332297.db2.gz OVUXDYYJTPHAIZ-YDZHTSKRSA-N 0 0 648.519 6.884 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OC(C)C ZINC000409098014 1072335080 /nfs/dbraw/zinc/33/50/80/1072335080.db2.gz OQLLDZIBVSDRBN-ZVHZXABRSA-N 0 0 662.546 7.274 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409335698 1072337733 /nfs/dbraw/zinc/33/77/33/1072337733.db2.gz YQROOYWVKFJMCB-OYKKKHCWSA-N 0 0 589.577 6.626 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)c1 ZINC000409335295 1072339382 /nfs/dbraw/zinc/33/93/82/1072339382.db2.gz ZZAOKTBZXFZJEQ-UCQKPKSFSA-N 0 0 506.674 6.140 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409335377 1072339887 /nfs/dbraw/zinc/33/98/87/1072339887.db2.gz ZKOKXPYNIKASKF-UKWGHVSLSA-N 0 0 626.388 7.482 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409334767 1072343511 /nfs/dbraw/zinc/34/35/11/1072343511.db2.gz WDSGZPQHFQLPTJ-WQRHYEAKSA-N 0 0 570.430 5.398 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409334725 1072343584 /nfs/dbraw/zinc/34/35/84/1072343584.db2.gz VYRZLGBGMBBSQM-SXGWCWSVSA-N 0 0 542.376 5.013 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409334826 1072344034 /nfs/dbraw/zinc/34/40/34/1072344034.db2.gz WJRKGRPCUXZXAJ-FMCGGJTJSA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409334794 1072344155 /nfs/dbraw/zinc/34/41/55/1072344155.db2.gz WGTWALBOXJZFTL-UUYOSTAYSA-N 0 0 557.993 6.753 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334816 1072344165 /nfs/dbraw/zinc/34/41/65/1072344165.db2.gz XSQDTBUHUUIECI-YDZHTSKRSA-N 0 0 593.941 7.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409334300 1072346755 /nfs/dbraw/zinc/34/67/55/1072346755.db2.gz WRZWDPHUXITRHG-NHDPSOOVSA-N 0 0 638.892 6.846 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409105860 1072347691 /nfs/dbraw/zinc/34/76/91/1072347691.db2.gz LNZREPMENYVMQE-HVKIWYFVSA-N 0 0 635.233 6.832 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000409334144 1072348044 /nfs/dbraw/zinc/34/80/44/1072348044.db2.gz UMQNQEQOAAIJLD-ONUIUJJFSA-N 0 0 623.537 7.828 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334233 1072348515 /nfs/dbraw/zinc/34/85/15/1072348515.db2.gz WHQZTFIJXVWOHI-AFUMVMLFSA-N 0 0 601.374 8.894 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000409334252 1072348810 /nfs/dbraw/zinc/34/88/10/1072348810.db2.gz WKCMBNOMLGWDOD-GZTJUZNOSA-N 0 0 529.396 5.634 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409333717 1072351143 /nfs/dbraw/zinc/35/11/43/1072351143.db2.gz VINMPFKBXKMWJW-QFEZKATASA-N 0 0 613.555 6.506 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409333712 1072351181 /nfs/dbraw/zinc/35/11/81/1072351181.db2.gz VHVIQJZAETYOAZ-FBHDLOMBSA-N 0 0 599.330 7.888 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)SC2=S)cc1Cl ZINC000409333610 1072352788 /nfs/dbraw/zinc/35/27/88/1072352788.db2.gz URUKQQASRGXWFD-AUEPDCJTSA-N 0 0 621.918 7.013 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409333457 1072353874 /nfs/dbraw/zinc/35/38/74/1072353874.db2.gz TXOWZVGWTBEHGP-PXNMLYILSA-N 0 0 511.909 6.486 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409332917 1072358100 /nfs/dbraw/zinc/35/81/00/1072358100.db2.gz SUHCYUBVPZRSKE-SRZZPIQSSA-N 0 0 641.859 8.572 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409104183 1072355572 /nfs/dbraw/zinc/35/55/72/1072355572.db2.gz GGHLTUXNHRJAMF-SDCZFJSOSA-N 0 0 525.026 5.924 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409332949 1072356391 /nfs/dbraw/zinc/35/63/91/1072356391.db2.gz SPRKKRIPSQRHMM-DHRITJCHSA-N 0 0 538.525 7.468 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409332801 1072357182 /nfs/dbraw/zinc/35/71/82/1072357182.db2.gz RWQREJGGVTWIMQ-CFRMEGHHSA-N 0 0 623.421 8.756 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409332521 1072359344 /nfs/dbraw/zinc/35/93/44/1072359344.db2.gz PXIFKMDHBWPBBD-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409332549 1072359828 /nfs/dbraw/zinc/35/98/28/1072359828.db2.gz QDUIMVRZVBIULZ-JFLMPSFJSA-N 0 0 586.610 7.890 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409332440 1072361130 /nfs/dbraw/zinc/36/11/30/1072361130.db2.gz RMPSOVWSVSJZTR-NKVSQWTQSA-N 0 0 601.411 8.127 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409103210 1072361901 /nfs/dbraw/zinc/36/19/01/1072361901.db2.gz XLZZMBLZODEKCN-OGLMXYFKSA-N 0 0 581.654 5.993 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409332231 1072362004 /nfs/dbraw/zinc/36/20/04/1072362004.db2.gz QMYVYPWNGAGOAO-YSURURNPSA-N 0 0 548.045 6.068 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409103052 1072362248 /nfs/dbraw/zinc/36/22/48/1072362248.db2.gz CZFSVHLQPVNLJK-BUVRLJJBSA-N 0 0 548.621 5.992 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409332100 1072363878 /nfs/dbraw/zinc/36/38/78/1072363878.db2.gz PJJNIHUHWPNYSB-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409331890 1072366988 /nfs/dbraw/zinc/36/69/88/1072366988.db2.gz PHPMKMUNWGPNEQ-MFKUBSTISA-N 0 0 534.659 5.744 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409331663 1072367451 /nfs/dbraw/zinc/36/74/51/1072367451.db2.gz OVOZSTSHDZKILN-CXUHLZMHSA-N 0 0 502.828 5.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409331755 1072367907 /nfs/dbraw/zinc/36/79/07/1072367907.db2.gz PMAFDVJZMMAALL-BUVRLJJBSA-N 0 0 555.077 5.873 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409331004 1072373284 /nfs/dbraw/zinc/37/32/84/1072373284.db2.gz NXGIKZHMVBSLNT-LSHDLFTRSA-N 0 0 640.364 8.048 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409331249 1072370727 /nfs/dbraw/zinc/37/07/27/1072370727.db2.gz MZTWFLXUMVKWSR-FMCGGJTJSA-N 0 0 623.921 6.947 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330811 1072374140 /nfs/dbraw/zinc/37/41/40/1072374140.db2.gz MCZAWCJUDUSDND-PKAZHMFMSA-N 0 0 546.714 6.940 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 ZINC000409330794 1072374145 /nfs/dbraw/zinc/37/41/45/1072374145.db2.gz MUWBATVUMFLUGO-XKZIYDEJSA-N 0 0 530.896 7.083 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1 ZINC000409330853 1072374550 /nfs/dbraw/zinc/37/45/50/1072374550.db2.gz NCPGKGDSRRMABY-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000409330881 1072374589 /nfs/dbraw/zinc/37/45/89/1072374589.db2.gz NIZKPSSPECMGPF-UYRXBGFRSA-N 0 0 539.460 6.193 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000409330589 1072376779 /nfs/dbraw/zinc/37/67/79/1072376779.db2.gz KWXCONURDMGSGE-NDENLUEZSA-N 0 0 562.481 6.599 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409330278 1072379073 /nfs/dbraw/zinc/37/90/73/1072379073.db2.gz KLIGBDKUBPWOCQ-ZVHZXABRSA-N 0 0 544.525 7.994 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S ZINC000409330244 1072379139 /nfs/dbraw/zinc/37/91/39/1072379139.db2.gz KINZSXJLNQPYQE-CIAFOILYSA-N 0 0 507.999 6.929 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330281 1072379180 /nfs/dbraw/zinc/37/91/80/1072379180.db2.gz KLWYYMVYPHGMDY-OYKKKHCWSA-N 0 0 559.581 6.863 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409329739 1072382010 /nfs/dbraw/zinc/38/20/10/1072382010.db2.gz HNTVQXDRXAGQOM-MSXFZWOLSA-N 0 0 623.421 8.756 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c(OCc2ccccc2)c1 ZINC000409330079 1072380024 /nfs/dbraw/zinc/38/00/24/1072380024.db2.gz JKMZGSKHNWUWDV-CEUNXORHSA-N 0 0 524.711 7.671 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OCC)c3)SC2=S)cc1 ZINC000409329877 1072380462 /nfs/dbraw/zinc/38/04/62/1072380462.db2.gz IDPZNHPNYQJHEP-ONUIUJJFSA-N 0 0 505.661 6.777 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409330140 1072380491 /nfs/dbraw/zinc/38/04/91/1072380491.db2.gz JKKJBKXAQZXMJF-YUMHPJSZSA-N 0 0 554.096 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329910 1072380925 /nfs/dbraw/zinc/38/09/25/1072380925.db2.gz IRZVEVCSBWTLDN-AFUMVMLFSA-N 0 0 569.104 6.479 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409329793 1072382543 /nfs/dbraw/zinc/38/25/43/1072382543.db2.gz IIPCSABCIXUCBM-OYKKKHCWSA-N 0 0 556.631 7.252 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)SC2=S)cc1 ZINC000409329800 1072382576 /nfs/dbraw/zinc/38/25/76/1072382576.db2.gz GPFINVCWGXRBST-BUVRLJJBSA-N 0 0 536.631 5.136 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)c(OC)c3)SC2=S)cc1 ZINC000409329556 1072384782 /nfs/dbraw/zinc/38/47/82/1072384782.db2.gz FVZMWDITMSWHOQ-WGOQTCKBSA-N 0 0 548.686 6.251 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409329563 1072385354 /nfs/dbraw/zinc/38/53/54/1072385354.db2.gz FYFKCRDCLOJNAQ-FOKLQQMPSA-N 0 0 556.471 7.132 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409329204 1072386598 /nfs/dbraw/zinc/38/65/98/1072386598.db2.gz BZMVFWQZOSKPQW-KSEXSDGBSA-N 0 0 557.897 7.650 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409329223 1072386701 /nfs/dbraw/zinc/38/67/01/1072386701.db2.gz CKWRUIDHONXFTD-QFEZKATASA-N 0 0 582.581 7.974 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409328880 1072388478 /nfs/dbraw/zinc/38/84/78/1072388478.db2.gz BSKYIRPFPVSIDH-LPYMAVHISA-N 0 0 546.548 7.210 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1 ZINC000409328901 1072388913 /nfs/dbraw/zinc/38/89/13/1072388913.db2.gz ACDZMDJOKFXXAI-UDWIEESQSA-N 0 0 530.425 6.089 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409328715 1072389444 /nfs/dbraw/zinc/38/94/44/1072389444.db2.gz AHCWDGOXLQYQGS-YSURURNPSA-N 0 0 581.597 6.433 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409328954 1072389562 /nfs/dbraw/zinc/38/95/62/1072389562.db2.gz BAVBXMUTTOCQSK-WSDLNYQXSA-N 0 0 546.895 7.096 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328720 1072389846 /nfs/dbraw/zinc/38/98/46/1072389846.db2.gz AHQGQMGUESISSV-OEAKJJBVSA-N 0 0 632.501 6.891 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409328816 1072390363 /nfs/dbraw/zinc/39/03/63/1072390363.db2.gz AZIVBDVYCDHMMX-MTJSOVHGSA-N 0 0 527.421 6.342 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409328819 1072390410 /nfs/dbraw/zinc/39/04/10/1072390410.db2.gz BEJIVYQPJCJIKI-HMAPJEAMSA-N 0 0 532.912 7.840 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409328691 1072391685 /nfs/dbraw/zinc/39/16/85/1072391685.db2.gz ZXRRAZJLEASRPO-QQXSKIMKSA-N 0 0 657.982 8.481 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1 ZINC000409328433 1072391745 /nfs/dbraw/zinc/39/17/45/1072391745.db2.gz VFPAOJNRMYLKDL-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409328481 1072392355 /nfs/dbraw/zinc/39/23/55/1072392355.db2.gz WAUJYFIVGDAWDC-IMRQLAEWSA-N 0 0 503.689 7.351 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328152 1072394543 /nfs/dbraw/zinc/39/45/43/1072394543.db2.gz PLFKPJKBDASIEL-DNTJNYDQSA-N 0 0 694.732 8.990 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409328204 1072395143 /nfs/dbraw/zinc/39/51/43/1072395143.db2.gz PZMJNZHHMYTKQG-IWIPYMOSSA-N 0 0 602.519 6.351 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409327924 1072397363 /nfs/dbraw/zinc/39/73/63/1072397363.db2.gz NPVVJKOZXFYLKT-XKZIYDEJSA-N 0 0 607.922 7.246 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409327926 1072397420 /nfs/dbraw/zinc/39/74/20/1072397420.db2.gz NQWLEXLNOJIXAU-UKWGHVSLSA-N 0 0 664.655 9.157 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409327971 1072397826 /nfs/dbraw/zinc/39/78/26/1072397826.db2.gz OLWGQAJBLFRQLI-WSDLNYQXSA-N 0 0 601.415 8.268 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409327604 1072399705 /nfs/dbraw/zinc/39/97/05/1072399705.db2.gz LIWOXUSNIAWQOS-ODCIPOBUSA-N 0 0 625.400 7.303 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)c1 ZINC000409327508 1072401845 /nfs/dbraw/zinc/40/18/45/1072401845.db2.gz KKNPDWSTYGDELP-UUYOSTAYSA-N 0 0 558.684 5.799 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409108761 1072404635 /nfs/dbraw/zinc/40/46/35/1072404635.db2.gz VVIXZGFLDWIVPC-ZEZCTPEWSA-N 0 0 582.770 5.112 40 10 KKCBRN COC(=O)Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409108803 1072405178 /nfs/dbraw/zinc/40/51/78/1072405178.db2.gz WCOOAEYIIOUSEO-ZVHZXABRSA-N 0 0 545.617 5.612 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OC(C)C ZINC000409108622 1072406287 /nfs/dbraw/zinc/40/62/87/1072406287.db2.gz XSKAHSBZLNQBCU-ZVHZXABRSA-N 0 0 615.546 7.432 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409107836 1072411132 /nfs/dbraw/zinc/41/11/32/1072411132.db2.gz RFMQHAWMWVJBMD-XSTKMXAKSA-N 0 0 653.632 5.835 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409346848 1072411736 /nfs/dbraw/zinc/41/17/36/1072411736.db2.gz OOFNONRETJZANQ-FMCGGJTJSA-N 0 0 672.393 7.990 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)c(Cl)c1 ZINC000409346730 1072413521 /nfs/dbraw/zinc/41/35/21/1072413521.db2.gz OGYZKOHYLOQRQM-HYARGMPZSA-N 0 0 538.050 5.212 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409346540 1072413842 /nfs/dbraw/zinc/41/38/42/1072413842.db2.gz KJRUGQQTXMWOIT-CAOOACKPSA-N 0 0 577.305 6.112 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409346583 1072414487 /nfs/dbraw/zinc/41/44/87/1072414487.db2.gz KRRRBDREBLZWOR-KSEXSDGBSA-N 0 0 600.922 7.241 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409346492 1072415985 /nfs/dbraw/zinc/41/59/85/1072415985.db2.gz LAVCZZWJIBWXRK-YZSQISJMSA-N 0 0 532.086 7.877 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409123070 1072418020 /nfs/dbraw/zinc/41/80/20/1072418020.db2.gz DNBUCPGAKJEFRV-OIHNEICTSA-N 0 0 531.747 6.049 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409346164 1072418030 /nfs/dbraw/zinc/41/80/30/1072418030.db2.gz NLLSMULBJKSIFK-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409346078 1072419757 /nfs/dbraw/zinc/41/97/57/1072419757.db2.gz MOMMCIGQMZZTNZ-XKZIYDEJSA-N 0 0 636.920 6.078 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409345654 1072421202 /nfs/dbraw/zinc/42/12/02/1072421202.db2.gz IPWUWDAKQVRWKL-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409345783 1072422293 /nfs/dbraw/zinc/42/22/93/1072422293.db2.gz LXGFGPJCARHHQK-VEILYXNESA-N 0 0 527.667 7.232 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409345575 1072423305 /nfs/dbraw/zinc/42/33/05/1072423305.db2.gz JIVCPSRTPQDUQY-CFRMEGHHSA-N 0 0 557.524 7.540 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409345410 1072424241 /nfs/dbraw/zinc/42/42/41/1072424241.db2.gz IIKHSQNYFFOCMK-UCQKPKSFSA-N 0 0 505.462 6.858 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S ZINC000409345290 1072425877 /nfs/dbraw/zinc/42/58/77/1072425877.db2.gz KXGFNCJTHNFXLL-ROTLSHHCSA-N 0 0 527.627 5.723 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC ZINC000409345335 1072426359 /nfs/dbraw/zinc/42/63/59/1072426359.db2.gz LNMSFTXVRAAQEK-PDGQHHTCSA-N 0 0 525.433 5.803 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409344734 1072430573 /nfs/dbraw/zinc/43/05/73/1072430573.db2.gz GTIKKNLXVFLOFN-YSMPRRRNSA-N 0 0 592.699 5.873 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409344371 1072432284 /nfs/dbraw/zinc/43/22/84/1072432284.db2.gz IUXHNEDXCYESGC-CIAFOILYSA-N 0 0 595.765 7.850 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409344359 1072432400 /nfs/dbraw/zinc/43/24/00/1072432400.db2.gz ITLDJHSFSWPGRL-BHGWPJFGSA-N 0 0 569.060 5.891 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409344213 1072433470 /nfs/dbraw/zinc/43/34/70/1072433470.db2.gz IDAYZAVTUYAVFA-BKUYFWCQSA-N 0 0 528.449 5.950 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409344303 1072434479 /nfs/dbraw/zinc/43/44/79/1072434479.db2.gz IORIPCUSUOTSEP-UCQKPKSFSA-N 0 0 632.501 6.579 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409344309 1072434492 /nfs/dbraw/zinc/43/44/92/1072434492.db2.gz INUCNKYYXKPKQK-PKAZHMFMSA-N 0 0 532.086 7.877 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409344292 1072434562 /nfs/dbraw/zinc/43/45/62/1072434562.db2.gz IJVSJOUIRAQVHZ-MXAYSNPKSA-N 0 0 519.688 6.531 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409344051 1072434890 /nfs/dbraw/zinc/43/48/90/1072434890.db2.gz FETGASKPCUKDQJ-MXAYSNPKSA-N 0 0 561.531 7.964 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409343517 1072440095 /nfs/dbraw/zinc/44/00/95/1072440095.db2.gz HKNONSQJFJYCPU-ZMOGYAJESA-N 0 0 662.425 7.260 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409343533 1072440136 /nfs/dbraw/zinc/44/01/36/1072440136.db2.gz DUJNUHQYUMKSAF-CFRMEGHHSA-N 0 0 509.027 6.897 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409343523 1072440178 /nfs/dbraw/zinc/44/01/78/1072440178.db2.gz DSGUKEGNZCNPCK-YSURURNPSA-N 0 0 523.010 6.617 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O ZINC000409343571 1072440830 /nfs/dbraw/zinc/44/08/30/1072440830.db2.gz HTEOFQRIOFQUFC-RIYZIHGNSA-N 0 0 501.221 5.332 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409343339 1072441182 /nfs/dbraw/zinc/44/11/82/1072441182.db2.gz GJHPFAIGGXJVMS-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409343033 1072443843 /nfs/dbraw/zinc/44/38/43/1072443843.db2.gz FUJDPZYIKOADEX-MTJSOVHGSA-N 0 0 538.569 6.948 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409343112 1072444344 /nfs/dbraw/zinc/44/43/44/1072444344.db2.gz FZXZMCZODIGKCG-UFFVCSGVSA-N 0 0 660.236 8.512 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409342838 1072447078 /nfs/dbraw/zinc/44/70/78/1072447078.db2.gz FOCZJHZPPIMYJW-MTJSOVHGSA-N 0 0 609.792 7.845 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)c1 ZINC000409342638 1072447550 /nfs/dbraw/zinc/44/75/50/1072447550.db2.gz BZNAEDFUVSAQTL-MTJSOVHGSA-N 0 0 516.522 7.120 40 10 KKCBRN O=C1NC(=S)S/C1=C/c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342313 1072449037 /nfs/dbraw/zinc/44/90/37/1072449037.db2.gz BMUQGLRYHSHQRM-NSIKDUERSA-N 0 0 505.293 5.657 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409342198 1072450915 /nfs/dbraw/zinc/45/09/15/1072450915.db2.gz AOODUEJVBNQOSA-QRVIBDJDSA-N 0 0 508.596 5.566 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409342068 1072451875 /nfs/dbraw/zinc/45/18/75/1072451875.db2.gz DDHJKEZTKLZOIH-FSJBWODESA-N 0 0 625.393 8.148 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409342057 1072451913 /nfs/dbraw/zinc/45/19/13/1072451913.db2.gz BQDCZZASPDZMDS-NHDPSOOVSA-N 0 0 661.892 7.957 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409342061 1072451920 /nfs/dbraw/zinc/45/19/20/1072451920.db2.gz BGPDAQNJMXNXQG-OEAKJJBVSA-N 0 0 635.399 7.604 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)S1)c1ccccc1 ZINC000409126573 1072452060 /nfs/dbraw/zinc/45/20/60/1072452060.db2.gz CTMXVHUICPYMGF-BKUYFWCQSA-N 0 0 527.827 6.082 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409341936 1072454345 /nfs/dbraw/zinc/45/43/45/1072454345.db2.gz AOPLYIUEJPBDCB-NKVSQWTQSA-N 0 0 596.311 7.649 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S ZINC000409341846 1072455482 /nfs/dbraw/zinc/45/54/82/1072455482.db2.gz CJSXJMRKZSCYSI-MFKUBSTISA-N 0 0 505.064 7.028 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000409341825 1072455500 /nfs/dbraw/zinc/45/55/00/1072455500.db2.gz AAYQAFFTYABMTN-YBFXNURJSA-N 0 0 515.956 5.063 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409125988 1072456097 /nfs/dbraw/zinc/45/60/97/1072456097.db2.gz GLQFGVNEVILHMN-MSXFZWOLSA-N 0 0 577.972 8.026 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000409125694 1072458489 /nfs/dbraw/zinc/45/84/89/1072458489.db2.gz JWMADBVPQCWMBP-ONUIUJJFSA-N 0 0 500.664 6.835 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409341296 1072458714 /nfs/dbraw/zinc/45/87/14/1072458714.db2.gz BAHVBRVLRSHCCY-UFFVCSGVSA-N 0 0 660.236 8.512 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1 ZINC000409341322 1072459078 /nfs/dbraw/zinc/45/90/78/1072459078.db2.gz BFEFSZBGHNHPPW-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1Cl ZINC000409341332 1072459097 /nfs/dbraw/zinc/45/90/97/1072459097.db2.gz BDPXIUPWKSQYTQ-ZVBGSRNCSA-N 0 0 645.862 8.236 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409341260 1072461031 /nfs/dbraw/zinc/46/10/31/1072461031.db2.gz ANEIKULTWLODOV-OYKKKHCWSA-N 0 0 553.934 7.820 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 ZINC000409341222 1072461057 /nfs/dbraw/zinc/46/10/57/1072461057.db2.gz AHWPYSJUSRCYTI-JAIQZWGSSA-N 0 0 513.940 6.355 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409124838 1072464305 /nfs/dbraw/zinc/46/43/05/1072464305.db2.gz CYCCSXSRJKENPH-CFRMEGHHSA-N 0 0 523.014 6.497 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409340542 1072464782 /nfs/dbraw/zinc/46/47/82/1072464782.db2.gz YVOOEANSOSJIJR-QQXSKIMKSA-N 0 0 577.684 6.540 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409340460 1072466428 /nfs/dbraw/zinc/46/64/28/1072466428.db2.gz XNZKSCCVOAWQNP-YDZHTSKRSA-N 0 0 535.603 5.335 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409340295 1072467391 /nfs/dbraw/zinc/46/73/91/1072467391.db2.gz UHTUTKFYWCUILZ-IMRQLAEWSA-N 0 0 503.689 7.351 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409340326 1072467894 /nfs/dbraw/zinc/46/78/94/1072467894.db2.gz VFHULRUVLSTBFN-JAIQZWGSSA-N 0 0 543.966 6.363 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409340343 1072468019 /nfs/dbraw/zinc/46/80/19/1072468019.db2.gz VOVLISYXYPATSG-ZDLGFXPLSA-N 0 0 525.877 5.744 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)SC2=S)cc1 ZINC000409340353 1072468115 /nfs/dbraw/zinc/46/81/15/1072468115.db2.gz VRZXLDXGAOSXJV-MTDXEUNCSA-N 0 0 667.590 8.227 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409340153 1072469114 /nfs/dbraw/zinc/46/91/14/1072469114.db2.gz RHLQOMSDETZZFC-MYKKPKGFSA-N 0 0 652.419 7.805 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409340029 1072470170 /nfs/dbraw/zinc/47/01/70/1072470170.db2.gz OZLKGNHFTXGHTQ-PCLIKHOPSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1 ZINC000409340022 1072470178 /nfs/dbraw/zinc/47/01/78/1072470178.db2.gz OWPZBMNONJKPGN-MYYYXRDXSA-N 0 0 531.634 5.692 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409340062 1072470734 /nfs/dbraw/zinc/47/07/34/1072470734.db2.gz PSYDSDHERHOGDT-XKZIYDEJSA-N 0 0 578.912 7.625 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)SC2=S)cc1 ZINC000409339813 1072471283 /nfs/dbraw/zinc/47/12/83/1072471283.db2.gz YWEYWSHKBDKXTR-PCLIKHOPSA-N 0 0 536.631 6.377 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409340085 1072471288 /nfs/dbraw/zinc/47/12/88/1072471288.db2.gz QFGCWYIKEGSHRL-VULFUBBASA-N 0 0 504.721 6.635 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339843 1072471770 /nfs/dbraw/zinc/47/17/70/1072471770.db2.gz LNXSQKNXYFZNEE-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409339901 1072471782 /nfs/dbraw/zinc/47/17/82/1072471782.db2.gz MQUCJVKUDFXCKH-PCLIKHOPSA-N 0 0 518.059 7.487 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC1=S ZINC000409123665 1072471969 /nfs/dbraw/zinc/47/19/69/1072471969.db2.gz HIBPVOMEGKPPIC-JAIQZWGSSA-N 0 0 505.434 5.843 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339910 1072472220 /nfs/dbraw/zinc/47/22/20/1072472220.db2.gz ZSGZIZHURQISLU-AFUMVMLFSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409339732 1072472824 /nfs/dbraw/zinc/47/28/24/1072472824.db2.gz LIPIUEDVOSNSPL-UCQKPKSFSA-N 0 0 535.603 5.335 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409339683 1072472959 /nfs/dbraw/zinc/47/29/59/1072472959.db2.gz KNTOBOWXLBLQRY-RQZCQDPDSA-N 0 0 580.296 6.801 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409339737 1072472988 /nfs/dbraw/zinc/47/29/88/1072472988.db2.gz LLZDINIOAGYFHF-SRZZPIQSSA-N 0 0 654.442 6.723 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409339702 1072473058 /nfs/dbraw/zinc/47/30/58/1072473058.db2.gz KUFSDPWLIRHEOX-YSURURNPSA-N 0 0 574.551 7.530 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccn4)c(OC)c3)SC2=S)cc1Cl ZINC000409339553 1072474212 /nfs/dbraw/zinc/47/42/12/1072474212.db2.gz WBXMINIJQRHFER-SRZZPIQSSA-N 0 0 577.909 6.500 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409339374 1072475260 /nfs/dbraw/zinc/47/52/60/1072475260.db2.gz UQAROODDQOIBHY-FBHDLOMBSA-N 0 0 540.415 7.997 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409339432 1072475847 /nfs/dbraw/zinc/47/58/47/1072475847.db2.gz VOHRCQJCTOEGER-CFRMEGHHSA-N 0 0 571.924 7.959 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409339279 1072477147 /nfs/dbraw/zinc/47/71/47/1072477147.db2.gz GSASZQKMKRGMAO-JMIUGGIZSA-N 0 0 724.210 8.187 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409339112 1072478157 /nfs/dbraw/zinc/47/81/57/1072478157.db2.gz RXYYERFKRMUICZ-JJFYIABZSA-N 0 0 629.812 8.793 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000409338955 1072479089 /nfs/dbraw/zinc/47/90/89/1072479089.db2.gz CLNSHLLWQNJFSX-XKZIYDEJSA-N 0 0 573.465 5.722 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409338995 1072479799 /nfs/dbraw/zinc/47/97/99/1072479799.db2.gz CYJNVTYPFGIPIR-WNFQYIGGSA-N 0 0 650.230 9.056 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409339043 1072480317 /nfs/dbraw/zinc/48/03/17/1072480317.db2.gz RGGKPELFVKOJOT-FMCGGJTJSA-N 0 0 534.461 7.516 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409338804 1072480795 /nfs/dbraw/zinc/48/07/95/1072480795.db2.gz BJKVIPCLSQBKEW-FSJBWODESA-N 0 0 605.919 7.394 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409338646 1072481857 /nfs/dbraw/zinc/48/18/57/1072481857.db2.gz NOHHQRCSBRVZQY-MYYYXRDXSA-N 0 0 542.648 7.536 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409338654 1072481895 /nfs/dbraw/zinc/48/18/95/1072481895.db2.gz NTBOSEZPILYBFY-JFLMPSFJSA-N 0 0 518.748 7.025 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000409338761 1072482977 /nfs/dbraw/zinc/48/29/77/1072482977.db2.gz AJRLNYUXVMZZNZ-BKUYFWCQSA-N 0 0 542.063 6.254 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000409338743 1072483002 /nfs/dbraw/zinc/48/30/02/1072483002.db2.gz AAYUXEYDOJCDOU-UCQKPKSFSA-N 0 0 544.467 6.972 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1Cl ZINC000409338758 1072483019 /nfs/dbraw/zinc/48/30/19/1072483019.db2.gz AHYLRHGHJJGZHO-VULFUBBASA-N 0 0 626.981 8.258 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409338512 1072483694 /nfs/dbraw/zinc/48/36/94/1072483694.db2.gz LELPJTADWRSOJZ-FBHDLOMBSA-N 0 0 577.518 6.729 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409135636 1072484212 /nfs/dbraw/zinc/48/42/12/1072484212.db2.gz ZMWKVDOIRMTSQZ-OYKKKHCWSA-N 0 0 523.014 6.497 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000409338382 1072485504 /nfs/dbraw/zinc/48/55/04/1072485504.db2.gz IWKQAFWUJATDRD-DEDYPNTBSA-N 0 0 514.422 6.292 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1C ZINC000409338420 1072485636 /nfs/dbraw/zinc/48/56/36/1072485636.db2.gz JOEIFHIOEDGAER-QRVIBDJDSA-N 0 0 528.468 7.190 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409338438 1072486069 /nfs/dbraw/zinc/48/60/69/1072486069.db2.gz JXGDWLGYVPRRGF-XKZIYDEJSA-N 0 0 573.465 5.722 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1 ZINC000409338459 1072486177 /nfs/dbraw/zinc/48/61/77/1072486177.db2.gz KJYZAOHTEURATB-BKUYFWCQSA-N 0 0 577.440 6.424 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409338218 1072486752 /nfs/dbraw/zinc/48/67/52/1072486752.db2.gz FXZRWJVJASKEBG-NDENLUEZSA-N 0 0 557.009 5.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338284 1072487267 /nfs/dbraw/zinc/48/72/67/1072487267.db2.gz HGRVOPHISNTBEE-OEAKJJBVSA-N 0 0 680.973 6.477 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409338331 1072488225 /nfs/dbraw/zinc/48/82/25/1072488225.db2.gz HWRIGWULYZQJLN-RGVLZGJSSA-N 0 0 502.957 5.931 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338048 1072490393 /nfs/dbraw/zinc/49/03/93/1072490393.db2.gz CAFCNGXWJMZIDD-JJFYIABZSA-N 0 0 580.993 7.864 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409338028 1072490405 /nfs/dbraw/zinc/49/04/05/1072490405.db2.gz BSWRYAHNMKVTBB-KALUYTGESA-N 0 0 580.150 6.931 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409337429 1072496045 /nfs/dbraw/zinc/49/60/45/1072496045.db2.gz UPHOERFKCZQLDA-FMCGGJTJSA-N 0 0 576.921 7.105 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409133518 1072497766 /nfs/dbraw/zinc/49/77/66/1072497766.db2.gz MTNUUBZBGFOZCT-FMCGGJTJSA-N 0 0 573.921 7.131 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409133574 1072498346 /nfs/dbraw/zinc/49/83/46/1072498346.db2.gz LNPQQMVBAYVYBG-AUFPJITRSA-N 0 0 523.768 6.386 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409133324 1072500360 /nfs/dbraw/zinc/50/03/60/1072500360.db2.gz QETPQRZLORBPCH-MSXFZWOLSA-N 0 0 522.070 6.841 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409132385 1072504659 /nfs/dbraw/zinc/50/46/59/1072504659.db2.gz XQIJAPOCECYWKO-TWKHWXDSSA-N 0 0 540.660 7.481 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409354471 1072515095 /nfs/dbraw/zinc/51/50/95/1072515095.db2.gz FXKIDXLXQPEJMK-MFINZOPQSA-N 0 0 527.654 6.244 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409129696 1072519301 /nfs/dbraw/zinc/51/93/01/1072519301.db2.gz SAHNQAZBDVJUGL-OYKKKHCWSA-N 0 0 572.912 6.588 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409129469 1072519589 /nfs/dbraw/zinc/51/95/89/1072519589.db2.gz GTJGKLRTSSDWHH-RDPJMFKYSA-N 0 0 565.917 6.625 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409129454 1072519713 /nfs/dbraw/zinc/51/97/13/1072519713.db2.gz GSKSDLFHCITAIA-HMAPJEAMSA-N 0 0 616.331 6.590 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)SC2=S)cc1 ZINC000409129355 1072520443 /nfs/dbraw/zinc/52/04/43/1072520443.db2.gz FWPKBBYPMHKQQQ-ONUIUJJFSA-N 0 0 519.692 5.341 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409128900 1072523191 /nfs/dbraw/zinc/52/31/91/1072523191.db2.gz LFWLIMKVJFRWTQ-MXAYSNPKSA-N 0 0 523.054 6.892 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409352968 1072524449 /nfs/dbraw/zinc/52/44/49/1072524449.db2.gz ZRKRKDGBPUKSQT-NHDPSOOVSA-N 0 0 561.866 6.996 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409128107 1072526677 /nfs/dbraw/zinc/52/66/77/1072526677.db2.gz DQOKKKFQMSJUCL-JJFYIABZSA-N 0 0 558.523 5.657 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409352636 1072527918 /nfs/dbraw/zinc/52/79/18/1072527918.db2.gz XNCDBYVROPLRHN-WSDLNYQXSA-N 0 0 625.444 7.973 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc2ccccc21 ZINC000409352638 1072527945 /nfs/dbraw/zinc/52/79/45/1072527945.db2.gz XZTIZOKSGSCAPL-OYKKKHCWSA-N 0 0 705.380 8.034 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409352175 1072529863 /nfs/dbraw/zinc/52/98/63/1072529863.db2.gz WNLFGGVBUULJBY-LPYMAVHISA-N 0 0 666.946 6.087 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352140 1072529924 /nfs/dbraw/zinc/52/99/24/1072529924.db2.gz WKJIXLXUYJSTRB-VCHYOVAHSA-N 0 0 555.700 7.531 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352002 1072530971 /nfs/dbraw/zinc/53/09/71/1072530971.db2.gz VLEUNADTFYXZTK-DNTJNYDQSA-N 0 0 694.732 8.990 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409352212 1072531015 /nfs/dbraw/zinc/53/10/15/1072531015.db2.gz WQQKCRSVKAQTCQ-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1 ZINC000409352056 1072531290 /nfs/dbraw/zinc/53/12/90/1072531290.db2.gz VYYKMWLTUJATSK-OYKKKHCWSA-N 0 0 534.062 5.898 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409144814 1072531982 /nfs/dbraw/zinc/53/19/82/1072531982.db2.gz LBSKQUPUQFKLDK-OEAKJJBVSA-N 0 0 664.974 6.777 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409144867 1072532489 /nfs/dbraw/zinc/53/24/89/1072532489.db2.gz QINMDYUDOMBJFZ-CFRMEGHHSA-N 0 0 534.504 6.806 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409351657 1072532857 /nfs/dbraw/zinc/53/28/57/1072532857.db2.gz VJKMEGUZLCXGRB-JAIQZWGSSA-N 0 0 700.317 6.789 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409144457 1072533382 /nfs/dbraw/zinc/53/33/82/1072533382.db2.gz KFKIPHAPAWBXQT-UUYOSTAYSA-N 0 0 618.918 6.444 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409351549 1072534074 /nfs/dbraw/zinc/53/40/74/1072534074.db2.gz VCSFNOXMNBETJD-GTWSWNCMSA-N 0 0 547.701 8.377 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409144318 1072534379 /nfs/dbraw/zinc/53/43/79/1072534379.db2.gz OOCJAQFRVZWIDN-XYGWBWBKSA-N 0 0 524.712 6.384 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409351585 1072534518 /nfs/dbraw/zinc/53/45/18/1072534518.db2.gz VEXFSKVSDKSIIY-MTJSOVHGSA-N 0 0 577.884 6.367 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409351388 1072535440 /nfs/dbraw/zinc/53/54/40/1072535440.db2.gz UMLBDOXPUIHTJH-BUVRLJJBSA-N 0 0 549.630 5.725 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409351200 1072536790 /nfs/dbraw/zinc/53/67/90/1072536790.db2.gz ZEAXEARSJBLZRV-QFEZKATASA-N 0 0 566.929 8.241 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409351264 1072537150 /nfs/dbraw/zinc/53/71/50/1072537150.db2.gz STBWFYNSQZHCEH-CVKSISIWSA-N 0 0 503.092 7.674 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409143771 1072538526 /nfs/dbraw/zinc/53/85/26/1072538526.db2.gz HOYRSWFXWWUROD-JMIUGGIZSA-N 0 0 612.555 5.537 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409351178 1072539048 /nfs/dbraw/zinc/53/90/48/1072539048.db2.gz ZWMTWRXPCIENPZ-UFFVCSGVSA-N 0 0 581.480 6.384 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409351165 1072539077 /nfs/dbraw/zinc/53/90/77/1072539077.db2.gz ZUCMMSIYFUFZLQ-SSDVNMTOSA-N 0 0 673.279 8.569 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409143822 1072539138 /nfs/dbraw/zinc/53/91/38/1072539138.db2.gz IJPOZAPSGVQOIT-ROTLSHHCSA-N 0 0 552.693 5.862 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C ZINC000409143844 1072539546 /nfs/dbraw/zinc/53/95/46/1072539546.db2.gz JBKARVFBBDDXBY-KSEXSDGBSA-N 0 0 514.713 5.569 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409350773 1072539884 /nfs/dbraw/zinc/53/98/84/1072539884.db2.gz ZBFWXKQUIZPWNQ-ZVBGSRNCSA-N 0 0 639.774 7.579 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409350822 1072540410 /nfs/dbraw/zinc/54/04/10/1072540410.db2.gz SQCYCXFHFXFMPI-IWIPYMOSSA-N 0 0 520.632 5.137 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409143367 1072541659 /nfs/dbraw/zinc/54/16/59/1072541659.db2.gz DSTVDRIRJUSKDY-FMCGGJTJSA-N 0 0 613.073 5.129 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409350707 1072541779 /nfs/dbraw/zinc/54/17/79/1072541779.db2.gz YVPYLVSBYUVATR-YSMPRRRNSA-N 0 0 644.534 9.005 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409350470 1072542109 /nfs/dbraw/zinc/54/21/09/1072542109.db2.gz YFXHVUYXSRHLEH-SSDVNMTOSA-N 0 0 581.340 7.749 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409350748 1072542171 /nfs/dbraw/zinc/54/21/71/1072542171.db2.gz SKXYWELIXAREJX-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409350508 1072542307 /nfs/dbraw/zinc/54/23/07/1072542307.db2.gz YKLUVCBTGRQYCM-LPYMAVHISA-N 0 0 529.014 5.613 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409350549 1072542597 /nfs/dbraw/zinc/54/25/97/1072542597.db2.gz RXCUZOXSWGQOEY-JJFYIABZSA-N 0 0 520.434 7.126 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409350321 1072543100 /nfs/dbraw/zinc/54/31/00/1072543100.db2.gz XMIRLOQKJAKVPH-ZVHZXABRSA-N 0 0 635.976 7.945 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409350341 1072543128 /nfs/dbraw/zinc/54/31/28/1072543128.db2.gz XPSIFORKDMCSIM-QRVIBDJDSA-N 0 0 534.461 7.516 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409143039 1072543149 /nfs/dbraw/zinc/54/31/49/1072543149.db2.gz MQFJFEQFWPJAFZ-USHMODERSA-N 0 0 571.749 7.597 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142997 1072543231 /nfs/dbraw/zinc/54/32/31/1072543231.db2.gz SVIFVYBGIFVREZ-UFWORHAWSA-N 0 0 545.061 5.510 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409350374 1072543551 /nfs/dbraw/zinc/54/35/51/1072543551.db2.gz RLKDOUWLBDXDJJ-WSDLNYQXSA-N 0 0 612.464 7.991 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409350380 1072543617 /nfs/dbraw/zinc/54/36/17/1072543617.db2.gz XZTAQHUUZBFASD-ROTLSHHCSA-N 0 0 588.538 7.733 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 ZINC000409350433 1072543881 /nfs/dbraw/zinc/54/38/81/1072543881.db2.gz XUEFBAVEFLEAPW-LPYMAVHISA-N 0 0 529.014 5.613 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409142965 1072544486 /nfs/dbraw/zinc/54/44/86/1072544486.db2.gz GEFRFQCXZKUWOM-FOKLQQMPSA-N 0 0 681.417 6.637 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409350054 1072545252 /nfs/dbraw/zinc/54/52/52/1072545252.db2.gz XBTIQGLZWUNSFJ-WYMPLXKRSA-N 0 0 540.106 6.876 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409350027 1072545371 /nfs/dbraw/zinc/54/53/71/1072545371.db2.gz WYJSSSMICPUDPV-ZVBGSRNCSA-N 0 0 676.304 9.225 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)cc1C ZINC000409349933 1072546144 /nfs/dbraw/zinc/54/61/44/1072546144.db2.gz WNXQUAFCYBFCLN-WSDLNYQXSA-N 0 0 530.549 7.429 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409142833 1072546312 /nfs/dbraw/zinc/54/63/12/1072546312.db2.gz CMMIXEMAOUDFHT-SRZZPIQSSA-N 0 0 670.807 7.438 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409349979 1072546697 /nfs/dbraw/zinc/54/66/97/1072546697.db2.gz WREGLPSVWIXZKN-IWIPYMOSSA-N 0 0 582.103 5.611 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409142683 1072546744 /nfs/dbraw/zinc/54/67/44/1072546744.db2.gz LIVINNFVVGWLAW-JJFYIABZSA-N 0 0 555.523 5.213 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409349969 1072546761 /nfs/dbraw/zinc/54/67/61/1072546761.db2.gz WRGNYVJSQBOBEU-ODCIPOBUSA-N 0 0 625.400 7.303 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409349630 1072548005 /nfs/dbraw/zinc/54/80/05/1072548005.db2.gz QEGUWCDGLUJECG-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409349458 1072548890 /nfs/dbraw/zinc/54/88/90/1072548890.db2.gz PLMOBHOBCNTGNO-XKZIYDEJSA-N 0 0 652.919 7.236 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409349514 1072549212 /nfs/dbraw/zinc/54/92/12/1072549212.db2.gz QOJGBHQHPOBFDA-PCLIKHOPSA-N 0 0 535.647 6.044 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409349541 1072549667 /nfs/dbraw/zinc/54/96/67/1072549667.db2.gz QSNPIZMMHCRRGQ-ZVHZXABRSA-N 0 0 646.528 7.200 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409142001 1072550179 /nfs/dbraw/zinc/55/01/79/1072550179.db2.gz PDRNJJRNVDAYFE-BHGWPJFGSA-N 0 0 631.589 6.625 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409142070 1072550490 /nfs/dbraw/zinc/55/04/90/1072550490.db2.gz AWOVKNWSGUIRLW-AFUMVMLFSA-N 0 0 596.130 5.838 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409349171 1072551062 /nfs/dbraw/zinc/55/10/62/1072551062.db2.gz VHBGIRUAVGKPIC-UUYOSTAYSA-N 0 0 502.492 6.873 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)S1)c1ccccc1 ZINC000409141567 1072552148 /nfs/dbraw/zinc/55/21/48/1072552148.db2.gz VODFWOGHQWRZDO-NDENLUEZSA-N 0 0 711.275 5.783 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409141614 1072552646 /nfs/dbraw/zinc/55/26/46/1072552646.db2.gz WCYXIYXBUXORLL-YVNNLAQVSA-N 0 0 503.520 7.416 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC1=S ZINC000409141672 1072552728 /nfs/dbraw/zinc/55/27/28/1072552728.db2.gz IMMQMCOFXCAFAA-NKVSQWTQSA-N 0 0 519.917 6.963 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409348880 1072553350 /nfs/dbraw/zinc/55/33/50/1072553350.db2.gz TULMALRQJNINIO-UFFVCSGVSA-N 0 0 703.261 7.652 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409348949 1072553793 /nfs/dbraw/zinc/55/37/93/1072553793.db2.gz TVVYLCDUTPRMBZ-MYYYXRDXSA-N 0 0 596.130 6.036 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409348735 1072554308 /nfs/dbraw/zinc/55/43/08/1072554308.db2.gz OZEDSKXNFJPZSA-RGVLZGJSSA-N 0 0 674.661 8.612 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409141099 1072554594 /nfs/dbraw/zinc/55/45/94/1072554594.db2.gz UDTBMQFCTSRMNE-HMAPJEAMSA-N 0 0 571.880 6.481 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409348618 1072555583 /nfs/dbraw/zinc/55/55/83/1072555583.db2.gz PHICWTPCRDMAPN-MSXFZWOLSA-N 0 0 552.052 6.037 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409348463 1072556471 /nfs/dbraw/zinc/55/64/71/1072556471.db2.gz NPAGIHHJWRHBOO-WGOQTCKBSA-N 0 0 641.531 6.391 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409348558 1072556850 /nfs/dbraw/zinc/55/68/50/1072556850.db2.gz OQITYOCTELGRGY-XYGWBWBKSA-N 0 0 532.484 7.587 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409348519 1072556866 /nfs/dbraw/zinc/55/68/66/1072556866.db2.gz TUSJSOZPLPWJLZ-WOJGMQOQSA-N 0 0 570.430 5.793 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409348303 1072557392 /nfs/dbraw/zinc/55/73/92/1072557392.db2.gz RZYPHCSIHMXALL-FBHDLOMBSA-N 0 0 577.518 6.729 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409348358 1072557777 /nfs/dbraw/zinc/55/77/77/1072557777.db2.gz SQDVYFCLYBYGPX-LDADJPATSA-N 0 0 525.433 5.803 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1C ZINC000409348363 1072557850 /nfs/dbraw/zinc/55/78/50/1072557850.db2.gz SFRUSQWBSMVBTQ-WSDLNYQXSA-N 0 0 683.374 7.497 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)c(Cl)c1 ZINC000409140564 1072558039 /nfs/dbraw/zinc/55/80/39/1072558039.db2.gz JBXKEHAXVKUNRZ-XQNSMLJCSA-N 0 0 525.051 5.652 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)c2C)cc1 ZINC000409348138 1072558211 /nfs/dbraw/zinc/55/82/11/1072558211.db2.gz RRBAGJFWQJWJIA-XKZIYDEJSA-N 0 0 540.439 5.540 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1 ZINC000409348201 1072558706 /nfs/dbraw/zinc/55/87/06/1072558706.db2.gz RZCXCFAIXPCSDV-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000409348246 1072559206 /nfs/dbraw/zinc/55/92/06/1072559206.db2.gz SFQCQIXZAFZXKZ-QRVIBDJDSA-N 0 0 605.494 7.041 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409347787 1072561959 /nfs/dbraw/zinc/56/19/59/1072561959.db2.gz MUHLPDPMWLVYAF-UDWIEESQSA-N 0 0 590.908 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347605 1072562218 /nfs/dbraw/zinc/56/22/18/1072562218.db2.gz MUOAPNDLEGGQCX-UCQKPKSFSA-N 0 0 574.949 7.794 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(F)c1 ZINC000409347592 1072562243 /nfs/dbraw/zinc/56/22/43/1072562243.db2.gz QLORVMUDNCHFRG-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409347608 1072562808 /nfs/dbraw/zinc/56/28/08/1072562808.db2.gz MIGHKQKFNYRWKR-ZVHZXABRSA-N 0 0 587.504 6.901 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409347420 1072563393 /nfs/dbraw/zinc/56/33/93/1072563393.db2.gz PXQVLWRDVZPENK-ZDLGFXPLSA-N 0 0 500.350 7.678 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409347480 1072563872 /nfs/dbraw/zinc/56/38/72/1072563872.db2.gz QDPOAENWKJVZDL-CVKSISIWSA-N 0 0 579.530 7.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409347451 1072563889 /nfs/dbraw/zinc/56/38/89/1072563889.db2.gz QARZSLXMNGWOPR-XKZIYDEJSA-N 0 0 605.919 7.394 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Br)C1=O ZINC000409347313 1072564423 /nfs/dbraw/zinc/56/44/23/1072564423.db2.gz PMJWDYTZQDLTMJ-DEDYPNTBSA-N 0 0 500.418 5.033 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCC ZINC000409139307 1072566122 /nfs/dbraw/zinc/56/61/22/1072566122.db2.gz CMDUPVITFUQCEF-WOJGMQOQSA-N 0 0 511.452 5.645 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000409137931 1072572995 /nfs/dbraw/zinc/57/29/95/1072572995.db2.gz XIUZLYRLFWTUDA-XYGWBWBKSA-N 0 0 549.624 5.865 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409137820 1072573921 /nfs/dbraw/zinc/57/39/21/1072573921.db2.gz YZFZALXEYRBZDL-UUYOSTAYSA-N 0 0 518.477 5.386 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409137462 1072574732 /nfs/dbraw/zinc/57/47/32/1072574732.db2.gz WPIINMIDKCEPRN-PKAZHMFMSA-N 0 0 577.569 7.235 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409137483 1072574898 /nfs/dbraw/zinc/57/48/98/1072574898.db2.gz VKIYLDTZCUCBKB-OYKKKHCWSA-N 0 0 574.610 6.444 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409147185 1072577634 /nfs/dbraw/zinc/57/76/34/1072577634.db2.gz VLJFXFJTNKFQPA-JWRUUXOFSA-N 0 0 557.535 6.171 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409146974 1072578082 /nfs/dbraw/zinc/57/80/82/1072578082.db2.gz VUTFUNYUXFNAAD-KIBLKLHPSA-N 0 0 691.069 6.577 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409365555 1072578091 /nfs/dbraw/zinc/57/80/91/1072578091.db2.gz YLDCOHACPFMTCT-VULFUBBASA-N 0 0 557.653 5.732 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409146367 1072581516 /nfs/dbraw/zinc/58/15/16/1072581516.db2.gz SMAWTNLYEOYNAW-SRZZPIQSSA-N 0 0 528.011 5.980 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)c(Cl)c1 ZINC000409146260 1072582329 /nfs/dbraw/zinc/58/23/29/1072582329.db2.gz SAMPJDBMJSLVGA-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409146057 1072585045 /nfs/dbraw/zinc/58/50/45/1072585045.db2.gz QJVLNPMCRXSRMY-ZVHZXABRSA-N 0 0 573.523 6.826 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409145889 1072585609 /nfs/dbraw/zinc/58/56/09/1072585609.db2.gz QMQGGNUXLGSDEK-HYARGMPZSA-N 0 0 539.034 5.422 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409145367 1072587374 /nfs/dbraw/zinc/58/73/74/1072587374.db2.gz OSQDTGOTQBSDFE-JJFYIABZSA-N 0 0 566.661 5.240 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409156978 1072593465 /nfs/dbraw/zinc/59/34/65/1072593465.db2.gz OROAZFJGRAUBBQ-LGJNPRDNSA-N 0 0 638.102 5.787 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)N2 ZINC000409156579 1072593777 /nfs/dbraw/zinc/59/37/77/1072593777.db2.gz OYABXWPYGATENA-BFIDETRKSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156765 1072593880 /nfs/dbraw/zinc/59/38/80/1072593880.db2.gz STWOLDQBJKUDDV-RPPIVITFSA-N 0 0 600.167 9.477 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409156422 1072595597 /nfs/dbraw/zinc/59/55/97/1072595597.db2.gz NRFJCXWHEVDUJD-UVHMKAGCSA-N 0 0 696.138 5.574 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)N2 ZINC000409154152 1072607787 /nfs/dbraw/zinc/60/77/87/1072607787.db2.gz FYOSJWRVVQVCTJ-HHJKRLRDSA-N 0 0 589.313 7.957 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)ccc1Cl ZINC000409154137 1072607811 /nfs/dbraw/zinc/60/78/11/1072607811.db2.gz NWJQQVZUQKKRAT-FYJGNVAPSA-N 0 0 516.019 5.038 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409153585 1072610836 /nfs/dbraw/zinc/61/08/36/1072610836.db2.gz IJXWAJBNKGXEJG-YPCHGGDPSA-N 0 0 600.167 9.477 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409152583 1072618020 /nfs/dbraw/zinc/61/80/20/1072618020.db2.gz JQFMDVOMXSSLKC-LSHDLFTRSA-N 0 0 509.971 5.151 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409373674 1072624761 /nfs/dbraw/zinc/62/47/61/1072624761.db2.gz XWWCKYZOGIHUNC-UFFVCSGVSA-N 0 0 720.825 7.777 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409373602 1072624855 /nfs/dbraw/zinc/62/48/55/1072624855.db2.gz XOGAUEIRSBHVJF-OPEKNORGSA-N 0 0 670.471 8.663 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409150574 1072628925 /nfs/dbraw/zinc/62/89/25/1072628925.db2.gz CWOQITLGHFJBKB-KCYKTTMJSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409150582 1072629505 /nfs/dbraw/zinc/62/95/05/1072629505.db2.gz CWOQITLGHFJBKB-UAVUOLJFSA-N 0 0 610.719 8.732 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409150427 1072629900 /nfs/dbraw/zinc/62/99/00/1072629900.db2.gz CBNCIEHTZMJGGI-RHGYRFJNSA-N 0 0 532.812 7.795 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)SC1=S ZINC000409376348 1072630046 /nfs/dbraw/zinc/63/00/46/1072630046.db2.gz XICSACUOWVUROL-GRSHGNNSSA-N 0 0 521.458 5.005 40 10 KKCBRN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409376349 1072630199 /nfs/dbraw/zinc/63/01/99/1072630199.db2.gz AAQOFIFOGYRLDV-CQPUUCJISA-N 0 0 547.666 6.922 40 10 KKCBRN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409375234 1072633294 /nfs/dbraw/zinc/63/32/94/1072633294.db2.gz HOBMOLUEOGKKOS-GOSISDBHSA-N 0 0 504.970 6.109 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)SC1=S ZINC000409375003 1072633935 /nfs/dbraw/zinc/63/39/35/1072633935.db2.gz CZFJSJVNDVKCBI-BKUYFWCQSA-N 0 0 561.466 6.253 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)c(Cl)c1 ZINC000409149664 1072635089 /nfs/dbraw/zinc/63/50/89/1072635089.db2.gz MPGXLXDWWLJFGT-UUYOSTAYSA-N 0 0 591.911 6.675 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409149661 1072635132 /nfs/dbraw/zinc/63/51/32/1072635132.db2.gz MOUYKKFVXFRYQI-XODNFHPESA-N 0 0 663.822 5.907 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409149457 1072635641 /nfs/dbraw/zinc/63/56/41/1072635641.db2.gz GULDFBJANPCZQN-KKMKTNMSSA-N 0 0 684.678 6.541 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409149465 1072635651 /nfs/dbraw/zinc/63/56/51/1072635651.db2.gz HBFWZTLRCXIGDC-FOKLQQMPSA-N 0 0 526.127 6.196 40 10 KKCBRN CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409149429 1072635675 /nfs/dbraw/zinc/63/56/75/1072635675.db2.gz GAHLZABTBFWNLX-HXUWFJFHSA-N 0 0 500.469 5.389 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409149220 1072637743 /nfs/dbraw/zinc/63/77/43/1072637743.db2.gz ZEQSLYJZFPJQDO-JTOYMXJDSA-N 0 0 503.693 5.486 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S ZINC000409373696 1072641080 /nfs/dbraw/zinc/64/10/80/1072641080.db2.gz ZBRYBUUXNZQQGF-KSEXSDGBSA-N 0 0 571.486 7.073 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(Cl)c1 ZINC000409148398 1072642204 /nfs/dbraw/zinc/64/22/04/1072642204.db2.gz YXEJJOMODFLTGZ-YBFXNURJSA-N 0 0 533.856 6.217 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409148321 1072643399 /nfs/dbraw/zinc/64/33/99/1072643399.db2.gz YGHVCSJQURXFGZ-VULFUBBASA-N 0 0 600.524 5.875 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409372855 1072643968 /nfs/dbraw/zinc/64/39/68/1072643968.db2.gz RNMYELQVIVKUAJ-WSDLNYQXSA-N 0 0 587.510 6.257 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C ZINC000409372861 1072644003 /nfs/dbraw/zinc/64/40/03/1072644003.db2.gz OXUQEHADGOFAKR-FOKLQQMPSA-N 0 0 680.433 7.328 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409147874 1072645863 /nfs/dbraw/zinc/64/58/63/1072645863.db2.gz ZXDSFAPGPVZDRY-OPEKNORGSA-N 0 0 624.697 6.143 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409372202 1072647011 /nfs/dbraw/zinc/64/70/11/1072647011.db2.gz YHKQKCCQXGHVFT-PKAZHMFMSA-N 0 0 564.107 6.375 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147791 1072648040 /nfs/dbraw/zinc/64/80/40/1072648040.db2.gz ZFRGMELUFVWXNO-BHGWPJFGSA-N 0 0 618.018 7.130 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147575 1072648428 /nfs/dbraw/zinc/64/84/28/1072648428.db2.gz XLJFWQONBJWZPI-WYMPLXKRSA-N 0 0 583.573 6.477 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166119 1072650482 /nfs/dbraw/zinc/65/04/82/1072650482.db2.gz BOWWUAGKKHVIPJ-SWYRRKHMSA-N 0 0 545.304 8.478 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165807 1072652682 /nfs/dbraw/zinc/65/26/82/1072652682.db2.gz AGSDPMRCQAMMTG-RRQZXNHTSA-N 0 0 564.829 8.535 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165825 1072652693 /nfs/dbraw/zinc/65/26/93/1072652693.db2.gz AKTHFHAXWGRICI-XFAGBWLFSA-N 0 0 541.829 7.425 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409369825 1072657416 /nfs/dbraw/zinc/65/74/16/1072657416.db2.gz ZHHMFXOSPSKITE-FSJBWODESA-N 0 0 608.956 7.562 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409369336 1072659228 /nfs/dbraw/zinc/65/92/28/1072659228.db2.gz KZNJBNDETYGIJP-ZMOGYAJESA-N 0 0 615.564 7.072 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163551 1072664938 /nfs/dbraw/zinc/66/49/38/1072664938.db2.gz TYTLYXHSZRNVIG-WOVHNISZSA-N 0 0 521.411 7.080 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409162581 1072668480 /nfs/dbraw/zinc/66/84/80/1072668480.db2.gz XKDHGCWCAJFKFX-WQRHYEAKSA-N 0 0 602.903 5.597 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409367663 1072670008 /nfs/dbraw/zinc/67/00/08/1072670008.db2.gz HQKXVYSKXKVLQZ-VIZOYTHASA-N 0 0 533.256 5.702 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000409367482 1072670391 /nfs/dbraw/zinc/67/03/91/1072670391.db2.gz BFEUGHHWAHDMMM-VCHYOVAHSA-N 0 0 535.390 6.100 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)SC1=S ZINC000409379289 1072671126 /nfs/dbraw/zinc/67/11/26/1072671126.db2.gz VSQVNAILXAITAR-MFOYZWKCSA-N 0 0 550.270 6.398 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409161344 1072678243 /nfs/dbraw/zinc/67/82/43/1072678243.db2.gz TWUYXDLHWFJIMC-JJFYIABZSA-N 0 0 514.434 6.384 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409161187 1072678777 /nfs/dbraw/zinc/67/87/77/1072678777.db2.gz KPLIFYYECUTABN-MSXFZWOLSA-N 0 0 583.573 6.477 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409160328 1072684064 /nfs/dbraw/zinc/68/40/64/1072684064.db2.gz GNNNJPZIRTWNRS-VXLYETTFSA-N 0 0 579.462 5.968 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409160322 1072684071 /nfs/dbraw/zinc/68/40/71/1072684071.db2.gz XYOKEKKBYHCJQU-MZJWZYIUSA-N 0 0 612.579 7.710 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)SC1=S ZINC000409386526 1072685713 /nfs/dbraw/zinc/68/57/13/1072685713.db2.gz MCGYKPVRHQWGDT-YVLHZVERSA-N 0 0 515.825 5.745 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C2=O)o1 ZINC000409386467 1072687129 /nfs/dbraw/zinc/68/71/29/1072687129.db2.gz QEOMGYHKKJUMLT-JFLMPSFJSA-N 0 0 560.603 6.428 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409385869 1072690583 /nfs/dbraw/zinc/69/05/83/1072690583.db2.gz KQBHULFMHFGVSN-QRQIAZFYSA-N 0 0 521.642 5.869 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409385658 1072691036 /nfs/dbraw/zinc/69/10/36/1072691036.db2.gz IVMUKXIQCXXMBU-MNBJERMJSA-N 0 0 595.696 6.433 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409158683 1072692835 /nfs/dbraw/zinc/69/28/35/1072692835.db2.gz SBINPLWWMWCPLK-BCQCSXDESA-N 0 0 568.895 7.612 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409158443 1072694577 /nfs/dbraw/zinc/69/45/77/1072694577.db2.gz YDNGGAWITFLIEJ-VULFUBBASA-N 0 0 682.553 5.896 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409158324 1072695553 /nfs/dbraw/zinc/69/55/53/1072695553.db2.gz KWBTVTLLNKXGML-FJEPWZHXSA-N 0 0 719.087 8.704 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C2=O)o1 ZINC000409384960 1072695723 /nfs/dbraw/zinc/69/57/23/1072695723.db2.gz HGMLCAXFBHLPMD-UVHMKAGCSA-N 0 0 611.503 7.596 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409166607 1072703702 /nfs/dbraw/zinc/70/37/02/1072703702.db2.gz FLINIEJIASEWGC-OSWQYVSFSA-N 0 0 537.410 6.780 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409166274 1072705057 /nfs/dbraw/zinc/70/50/57/1072705057.db2.gz CMNWAFZHQGQGLW-UNVFRBQDSA-N 0 0 545.304 8.478 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409176880 1072709005 /nfs/dbraw/zinc/70/90/05/1072709005.db2.gz ZVMMCZFGHGMABP-RWPZCVJISA-N 0 0 631.711 5.750 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409381239 1072713677 /nfs/dbraw/zinc/71/36/77/1072713677.db2.gz SLYHYKMLIFLMKG-UHFFFAOYSA-N 0 0 658.480 6.588 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409173569 1072726689 /nfs/dbraw/zinc/72/66/89/1072726689.db2.gz JWHZGZNILDYYTC-IECBHUPTSA-N 0 0 559.273 7.765 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409388887 1072735220 /nfs/dbraw/zinc/73/52/20/1072735220.db2.gz XKBOALGHRMPKSY-ACXHZZMFSA-N 0 0 646.596 7.601 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409171663 1072738580 /nfs/dbraw/zinc/73/85/80/1072738580.db2.gz CDEXERYTFVORQR-QFEZKATASA-N 0 0 506.023 7.617 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409170651 1072744328 /nfs/dbraw/zinc/74/43/28/1072744328.db2.gz WBYODJMUYOUHBS-WOVHNISZSA-N 0 0 555.856 7.733 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C2=O)o1 ZINC000409400590 1072745082 /nfs/dbraw/zinc/74/50/82/1072745082.db2.gz PPQVIJLXSGXUOW-ZMFRSBBQSA-N 0 0 594.451 6.452 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409169649 1072748868 /nfs/dbraw/zinc/74/88/68/1072748868.db2.gz QQPBOVHXBKEFAN-MPCDZSKCSA-N 0 0 571.855 7.433 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409168960 1072752820 /nfs/dbraw/zinc/75/28/20/1072752820.db2.gz OIEOHQLMCTVOPE-IMWIBFENSA-N 0 0 507.384 6.771 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409168959 1072752952 /nfs/dbraw/zinc/75/29/52/1072752952.db2.gz OIEOHQLMCTVOPE-IECBHUPTSA-N 0 0 507.384 6.771 40 10 KKCBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000409401403 1072753903 /nfs/dbraw/zinc/75/39/03/1072753903.db2.gz YCJIVKQUSMBAKH-ANYBSYGZSA-N 0 0 539.591 6.059 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186212 1072762157 /nfs/dbraw/zinc/76/21/57/1072762157.db2.gz YVTWHKJLZNOVKJ-UFWXSABUSA-N 0 0 671.794 7.798 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186075 1072763278 /nfs/dbraw/zinc/76/32/78/1072763278.db2.gz WFGGMPBKHJSUKA-SOSGBDQYSA-N 0 0 668.863 8.104 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186102 1072763594 /nfs/dbraw/zinc/76/35/94/1072763594.db2.gz WPEFWEMAXMHLSI-JJMPTMMWSA-N 0 0 690.869 8.641 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186143 1072764175 /nfs/dbraw/zinc/76/41/75/1072764175.db2.gz XMKLIQCWAUBNIQ-XFPOKXRESA-N 0 0 807.723 8.338 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186154 1072764186 /nfs/dbraw/zinc/76/41/86/1072764186.db2.gz XTPWXSDWUSGHPJ-BTVRMGTGSA-N 0 0 671.794 7.798 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186169 1072764517 /nfs/dbraw/zinc/76/45/17/1072764517.db2.gz YAKAZCLADXSNFB-OBWDPHAXSA-N 0 0 856.593 9.092 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccccc3F)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186182 1072764562 /nfs/dbraw/zinc/76/45/62/1072764562.db2.gz YFZIRWIKSHALRH-GXKDRIIESA-N 0 0 794.743 8.959 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186198 1072765111 /nfs/dbraw/zinc/76/51/11/1072765111.db2.gz YQGKAONKMWPLAQ-LAORTMLSSA-N 0 0 685.802 7.435 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185949 1072765435 /nfs/dbraw/zinc/76/54/35/1072765435.db2.gz TUNXORMORIVCTR-VNYHAFIISA-N 0 0 693.181 7.901 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186006 1072766014 /nfs/dbraw/zinc/76/60/14/1072766014.db2.gz UXMOTTIDRBCXOO-BRBBWVIMSA-N 0 0 700.655 7.250 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186018 1072766030 /nfs/dbraw/zinc/76/60/30/1072766030.db2.gz VCOJDHXOVOPAFV-DGWBYFALSA-N 0 0 858.198 9.316 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186035 1072766236 /nfs/dbraw/zinc/76/62/36/1072766236.db2.gz VPUOIKBWSIBXBJ-IRUKJWJUSA-N 0 0 716.907 9.154 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185783 1072766684 /nfs/dbraw/zinc/76/66/84/1072766684.db2.gz QBNYYMZUAMAUSW-WFGWQTNPSA-N 0 0 670.585 6.571 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185823 1072766728 /nfs/dbraw/zinc/76/67/28/1072766728.db2.gz QTQYNYAGOJDMBJ-WMGYHRCKSA-N 0 0 766.703 8.694 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185859 1072767264 /nfs/dbraw/zinc/76/72/64/1072767264.db2.gz RNXXVPNGWXSDPR-RFPMOXKYSA-N 0 0 712.872 7.582 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185894 1072767699 /nfs/dbraw/zinc/76/76/99/1072767699.db2.gz SCYJILDZCXSGSL-WFQVFFQTSA-N 0 0 845.643 10.127 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185630 1072768054 /nfs/dbraw/zinc/76/80/54/1072768054.db2.gz NQHICUZPLSLSGI-JQELSTPGSA-N 0 0 776.753 8.738 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409185690 1072768858 /nfs/dbraw/zinc/76/88/58/1072768858.db2.gz ORIDSXQJLHICFT-UDWIEESQSA-N 0 0 588.831 5.372 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185484 1072769800 /nfs/dbraw/zinc/76/98/00/1072769800.db2.gz LWKKIROTQFNKJU-IRKIBWNTSA-N 0 0 777.299 8.619 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185591 1072770321 /nfs/dbraw/zinc/77/03/21/1072770321.db2.gz MZLHBWNSMDPWTB-DKDMBQFYSA-N 0 0 727.839 7.396 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185163 1072773092 /nfs/dbraw/zinc/77/30/92/1072773092.db2.gz JYTBXTSYQGTMRF-FFYKTRRMSA-N 0 0 690.869 8.391 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184944 1072773484 /nfs/dbraw/zinc/77/34/84/1072773484.db2.gz IPXJDZAEOYYBBA-DKDMBQFYSA-N 0 0 935.622 8.877 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184951 1072773601 /nfs/dbraw/zinc/77/36/01/1072773601.db2.gz IREKPVJXNYSIDM-QBMXFLJSSA-N 0 0 747.917 9.211 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184624 1072775331 /nfs/dbraw/zinc/77/53/31/1072775331.db2.gz HOQRVSYRLDKQFY-DKDMBQFYSA-N 0 0 736.265 8.460 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184496 1072776376 /nfs/dbraw/zinc/77/63/76/1072776376.db2.gz GWKYLUTVQPKYMF-JZGFOJACSA-N 0 0 790.780 9.128 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184591 1072776650 /nfs/dbraw/zinc/77/66/50/1072776650.db2.gz HBVQWPJWPOFWIM-CPCLYONDSA-N 0 0 878.616 9.579 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184323 1072777205 /nfs/dbraw/zinc/77/72/05/1072777205.db2.gz GBLFKEPDFWZNLZ-QQNBEVONSA-N 0 0 735.866 8.299 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184599 1072777229 /nfs/dbraw/zinc/77/72/29/1072777229.db2.gz HCXGGPIQPTZBAI-HMXWYVTASA-N 0 0 690.869 8.641 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000409184117 1072779492 /nfs/dbraw/zinc/77/94/92/1072779492.db2.gz WYRUJGWNGFBHMO-KOEQRZSOSA-N 0 0 517.676 5.658 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000409401784 1072779771 /nfs/dbraw/zinc/77/97/71/1072779771.db2.gz ZXXPKCWSBIHUFC-PXNMLYILSA-N 0 0 563.191 5.705 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183686 1072782204 /nfs/dbraw/zinc/78/22/04/1072782204.db2.gz CZMQLOMMAYLSIS-UJEOSYDCSA-N 0 0 646.857 8.003 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C2=O)o1 ZINC000409401242 1072782421 /nfs/dbraw/zinc/78/24/21/1072782421.db2.gz RRICQARQGIKQRO-UUYOSTAYSA-N 0 0 538.387 5.777 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183709 1072782711 /nfs/dbraw/zinc/78/27/11/1072782711.db2.gz DDDXERFIOYSNOH-ADVCGUGWSA-N 0 0 779.700 8.263 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183353 1072783985 /nfs/dbraw/zinc/78/39/85/1072783985.db2.gz BLAOHBQAOOZFHE-HMULSRIRSA-N 0 0 858.596 9.026 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183206 1072784922 /nfs/dbraw/zinc/78/49/22/1072784922.db2.gz QMABSCPUASPCOL-XAFNPAHDSA-N 0 0 838.693 8.460 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183271 1072785818 /nfs/dbraw/zinc/78/58/18/1072785818.db2.gz BCUSPWYTKXHEHG-YHPFAZPPSA-N 0 0 658.736 7.248 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183281 1072785835 /nfs/dbraw/zinc/78/58/35/1072785835.db2.gz BDGMQMDNLQRMET-SCRXMSBISA-N 0 0 714.240 6.684 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182905 1072787162 /nfs/dbraw/zinc/78/71/62/1072787162.db2.gz PIZSYUJVXITKQE-WMGYHRCKSA-N 0 0 949.605 8.597 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409182513 1072790190 /nfs/dbraw/zinc/79/01/90/1072790190.db2.gz LZQJBLGAHRPJKY-YZSQISJMSA-N 0 0 619.562 7.126 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)cc2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182165 1072792002 /nfs/dbraw/zinc/79/20/02/1072792002.db2.gz IPVNMYRERXZVLY-BPFRSUDTSA-N 0 0 591.733 6.397 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182119 1072793352 /nfs/dbraw/zinc/79/33/52/1072793352.db2.gz IIOAOPSPNUBUHL-ODCPUKCESA-N 0 0 652.729 6.005 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409181929 1072794197 /nfs/dbraw/zinc/79/41/97/1072794197.db2.gz GRKIPXAWORFCLO-UFFVCSGVSA-N 0 0 582.875 7.374 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181775 1072795048 /nfs/dbraw/zinc/79/50/48/1072795048.db2.gz DRZUSLOSEMRCAQ-DKDMBQFYSA-N 0 0 888.622 9.035 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181824 1072795927 /nfs/dbraw/zinc/79/59/27/1072795927.db2.gz FUXBTYOQRHFZIO-KRJBTMGSSA-N 0 0 923.586 9.007 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181496 1072797897 /nfs/dbraw/zinc/79/78/97/1072797897.db2.gz BYUYDUBURAKUSU-XFPOKXRESA-N 0 0 763.272 8.229 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409180770 1072802621 /nfs/dbraw/zinc/80/26/21/1072802621.db2.gz VOVUWKPQNJGFDW-FSJBWODESA-N 0 0 500.016 6.781 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409409690 1072809259 /nfs/dbraw/zinc/80/92/59/1072809259.db2.gz WLJVIEWFZWNGOF-GRSHGNNSSA-N 0 0 609.247 6.037 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409179609 1072809556 /nfs/dbraw/zinc/80/95/56/1072809556.db2.gz QPXUDGPKHQNCLG-FSJBWODESA-N 0 0 545.013 6.771 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409178766 1072813580 /nfs/dbraw/zinc/81/35/80/1072813580.db2.gz HZSPKPTUTOCDRR-OPEKNORGSA-N 0 0 528.114 7.751 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409408154 1072817071 /nfs/dbraw/zinc/81/70/71/1072817071.db2.gz PSEYAZSRYQXVAH-UNOMPAQXSA-N 0 0 527.802 5.542 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000409178110 1072818877 /nfs/dbraw/zinc/81/88/77/1072818877.db2.gz KQCFSYLIDTYDST-AFUMVMLFSA-N 0 0 518.704 6.099 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1cccc(Br)c1 ZINC000409196934 1072828556 /nfs/dbraw/zinc/82/85/56/1072828556.db2.gz SQQATMFACYATKQ-MTJSOVHGSA-N 0 0 561.320 7.196 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1 ZINC000409196755 1072828875 /nfs/dbraw/zinc/82/88/75/1072828875.db2.gz XIFNDHDUWGYNKO-HAHDFKILSA-N 0 0 502.617 5.505 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409196641 1072830229 /nfs/dbraw/zinc/83/02/29/1072830229.db2.gz XEXHLLJSKSCKFP-REZTVBANSA-N 0 0 573.284 5.178 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409195903 1072834431 /nfs/dbraw/zinc/83/44/31/1072834431.db2.gz SBIZDJYOLBYRTD-RGVLZGJSSA-N 0 0 519.526 6.362 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409195911 1072834510 /nfs/dbraw/zinc/83/45/10/1072834510.db2.gz SIJXAZKHPZXHTH-ZXVVBBHZSA-N 0 0 504.590 6.821 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409193870 1072847456 /nfs/dbraw/zinc/84/74/56/1072847456.db2.gz GOMGIUSGKBGNPD-XDHOZWIPSA-N 0 0 539.460 5.798 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409193735 1072848198 /nfs/dbraw/zinc/84/81/98/1072848198.db2.gz LDTFTOUKTVRDIC-JBDHCHCMSA-N 0 0 736.663 6.016 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409190353 1072869840 /nfs/dbraw/zinc/86/98/40/1072869840.db2.gz XLSRKZJDGXRIRU-RAWKODRKSA-N 0 0 730.272 5.856 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409188659 1072881966 /nfs/dbraw/zinc/88/19/66/1072881966.db2.gz JIJQNQFKRIRAPS-RGVLZGJSSA-N 0 0 534.806 6.593 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409187796 1072885845 /nfs/dbraw/zinc/88/58/45/1072885845.db2.gz UKQHNYORISBNPC-QRQIAZFYSA-N 0 0 676.430 8.156 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409205339 1072898136 /nfs/dbraw/zinc/89/81/36/1072898136.db2.gz HJLHYQLQSVPFND-LPYMAVHISA-N 0 0 577.953 7.036 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)ccc1Cl ZINC000409204800 1072902409 /nfs/dbraw/zinc/90/24/09/1072902409.db2.gz JOYGZTNDPUYZAT-YSMPRRRNSA-N 0 0 596.105 6.388 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409204170 1072905638 /nfs/dbraw/zinc/90/56/38/1072905638.db2.gz CNZOBPLVGAMWRZ-WPWMEQJKSA-N 0 0 514.672 6.773 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409204286 1072906501 /nfs/dbraw/zinc/90/65/01/1072906501.db2.gz FGSXIDGKIXWPJS-MZJWZYIUSA-N 0 0 545.516 8.555 40 10 KKCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)ccc1Cl ZINC000409204148 1072907660 /nfs/dbraw/zinc/90/76/60/1072907660.db2.gz CGVAAGAARFERTB-FMCGGJTJSA-N 0 0 554.024 5.218 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409203854 1072909092 /nfs/dbraw/zinc/90/90/92/1072909092.db2.gz ZZNBLDVFHHSEJH-DEDYPNTBSA-N 0 0 536.407 5.722 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409202438 1072913040 /nfs/dbraw/zinc/91/30/40/1072913040.db2.gz SGRUPTBYQUDVIY-ZMOGYAJESA-N 0 0 600.560 6.048 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409201011 1072919663 /nfs/dbraw/zinc/91/96/63/1072919663.db2.gz MYZSBMHENLKYCN-ZVBGSRNCSA-N 0 0 660.236 8.512 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409200998 1072919669 /nfs/dbraw/zinc/91/96/69/1072919669.db2.gz UJGFQLXRNKIXOP-WSDLNYQXSA-N 0 0 686.818 8.091 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409199000 1072927315 /nfs/dbraw/zinc/92/73/15/1072927315.db2.gz GNTMUQCQPSFYBI-RGVLZGJSSA-N 0 0 513.984 5.671 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409198731 1072928522 /nfs/dbraw/zinc/92/85/22/1072928522.db2.gz DPVITTYPZRUSAB-CIAFOILYSA-N 0 0 610.926 6.488 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409198450 1072930412 /nfs/dbraw/zinc/93/04/12/1072930412.db2.gz ATFZWGAMMWIRBB-MNDYBZJGSA-N 0 0 577.775 7.292 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc(Br)c1 ZINC000409198385 1072930552 /nfs/dbraw/zinc/93/05/52/1072930552.db2.gz FIZMBBLNVLLFNZ-MYYYXRDXSA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409207709 1072940853 /nfs/dbraw/zinc/94/08/53/1072940853.db2.gz YAIRCWQERLJPBH-WNFQYIGGSA-N 0 0 613.748 7.492 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409207619 1072941770 /nfs/dbraw/zinc/94/17/70/1072941770.db2.gz YWEPFEAISBJBBS-UHFFFAOYSA-N 0 0 575.646 5.539 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207562 1072941839 /nfs/dbraw/zinc/94/18/39/1072941839.db2.gz XTARKSQVABQXMB-YZSQISJMSA-N 0 0 594.649 6.546 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409207365 1072943213 /nfs/dbraw/zinc/94/32/13/1072943213.db2.gz SUHDOJDTIMYWLP-MSXFZWOLSA-N 0 0 522.692 5.773 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000409225195 1072978688 /nfs/dbraw/zinc/97/86/88/1072978688.db2.gz JTXXLHHLSSUFBX-MTJSOVHGSA-N 0 0 557.491 6.078 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409222053 1072995493 /nfs/dbraw/zinc/99/54/93/1072995493.db2.gz BRMUKPDKHUDBDI-PKAZHMFMSA-N 0 0 561.729 6.191 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409220755 1073003218 /nfs/dbraw/zinc/00/32/18/1073003218.db2.gz FIWBUAMRJQRUJT-MYKKPKGFSA-N 0 0 553.061 5.796 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409230130 1073016751 /nfs/dbraw/zinc/01/67/51/1073016751.db2.gz BUCDBDPZHGABOK-STBIYBPSSA-N 0 0 509.581 6.214 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229582 1073019062 /nfs/dbraw/zinc/01/90/62/1073019062.db2.gz RLZJMDFOMCTAHY-GHRPQRKGSA-N 0 0 587.550 7.290 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409229684 1073019511 /nfs/dbraw/zinc/01/95/11/1073019511.db2.gz SVQDTYBNNYTHOD-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409228626 1073026290 /nfs/dbraw/zinc/02/62/90/1073026290.db2.gz BTNVBERARMEPTE-MOSHPQCFSA-N 0 0 549.512 5.649 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409228381 1073028144 /nfs/dbraw/zinc/02/81/44/1073028144.db2.gz YCLMQNBSQBBWCD-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)SC1=S ZINC000409228103 1073029352 /nfs/dbraw/zinc/02/93/52/1073029352.db2.gz UDFMRHSOWVTLAZ-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409227403 1073031624 /nfs/dbraw/zinc/03/16/24/1073031624.db2.gz YIEXGFWYOSYPPP-MZJWZYIUSA-N 0 0 569.510 7.338 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409227416 1073031811 /nfs/dbraw/zinc/03/18/11/1073031811.db2.gz YHTPSQREMGOCMA-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409237253 1073032967 /nfs/dbraw/zinc/03/29/67/1073032967.db2.gz JAAGLRUECVKXGM-CFRMEGHHSA-N 0 0 586.657 7.063 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c(C)c1 ZINC000409237063 1073033455 /nfs/dbraw/zinc/03/34/55/1073033455.db2.gz VPLKJXSCGLAMAB-CEUNXORHSA-N 0 0 580.731 7.827 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409236964 1073035347 /nfs/dbraw/zinc/03/53/47/1073035347.db2.gz HGHKNHFTWRRBLD-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409236472 1073038142 /nfs/dbraw/zinc/03/81/42/1073038142.db2.gz GVCDHDUPOQNYMX-UUYOSTAYSA-N 0 0 579.021 6.791 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)c1 ZINC000409236284 1073040274 /nfs/dbraw/zinc/04/02/74/1073040274.db2.gz GBONYEYBAFNBOE-USHMODERSA-N 0 0 552.677 7.211 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1Cl ZINC000409235691 1073043765 /nfs/dbraw/zinc/04/37/65/1073043765.db2.gz PTWYLBSIUDJYBO-JJFYIABZSA-N 0 0 563.915 7.379 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1C ZINC000409235509 1073044220 /nfs/dbraw/zinc/04/42/20/1073044220.db2.gz BUPIXUWJGUYAQD-SSDVNMTOSA-N 0 0 540.985 5.339 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409235121 1073046763 /nfs/dbraw/zinc/04/67/63/1073046763.db2.gz ALXOFLLVIMMFBA-FYJGNVAPSA-N 0 0 511.409 5.495 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409234913 1073047476 /nfs/dbraw/zinc/04/74/76/1073047476.db2.gz ANOMDAYPLHSPHI-ZMFRSBBQSA-N 0 0 562.669 5.460 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409234812 1073048626 /nfs/dbraw/zinc/04/86/26/1073048626.db2.gz YKJQEJHSMICZCL-YVLHZVERSA-N 0 0 588.876 5.192 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1Cl ZINC000409234447 1073049594 /nfs/dbraw/zinc/04/95/94/1073049594.db2.gz WSQMBBZBKXLBGG-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2OC)cc1 ZINC000409234436 1073049711 /nfs/dbraw/zinc/04/97/11/1073049711.db2.gz WOCOLPGATZKBTQ-XYGWBWBKSA-N 0 0 549.674 5.193 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409234334 1073051036 /nfs/dbraw/zinc/05/10/36/1073051036.db2.gz VQDBWWFBWISQHJ-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409233240 1073055820 /nfs/dbraw/zinc/05/58/20/1073055820.db2.gz DVIMLISEKYHOLH-UFFVCSGVSA-N 0 0 575.403 5.513 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)c1 ZINC000409232800 1073058522 /nfs/dbraw/zinc/05/85/22/1073058522.db2.gz QDVURSKJLUGOEI-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409232776 1073059699 /nfs/dbraw/zinc/05/96/99/1073059699.db2.gz PSMBNHMZCPYNOS-UNOMPAQXSA-N 0 0 585.929 5.366 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409232720 1073059717 /nfs/dbraw/zinc/05/97/17/1073059717.db2.gz PAJRJDFDYHOQPU-SRZZPIQSSA-N 0 0 528.403 5.671 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409232285 1073062187 /nfs/dbraw/zinc/06/21/87/1073062187.db2.gz NRHPDDINAHICQM-MGKUZBKYSA-N 0 0 567.132 6.945 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409232287 1073062286 /nfs/dbraw/zinc/06/22/86/1073062286.db2.gz NRHPDDINAHICQM-QETRNLNESA-N 0 0 567.132 6.945 40 10 KKCBRN Cc1ccc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409231385 1073065177 /nfs/dbraw/zinc/06/51/77/1073065177.db2.gz CSHKFIJHXOIVLI-UHFFFAOYSA-N 0 0 506.652 6.895 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409231037 1073066804 /nfs/dbraw/zinc/06/68/04/1073066804.db2.gz AYDRANOEGMKIKT-MYKKPKGFSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409231158 1073067275 /nfs/dbraw/zinc/06/72/75/1073067275.db2.gz IHUSFRZKMYKRJC-LSCVHKIXSA-N 0 0 590.348 6.392 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409230825 1073067934 /nfs/dbraw/zinc/06/79/34/1073067934.db2.gz GBCCZFZKDCZEBR-NVMNQCDNSA-N 0 0 555.903 5.658 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409247047 1073073044 /nfs/dbraw/zinc/07/30/44/1073073044.db2.gz GAISBIXLKJMILL-ODLFYWEKSA-N 0 0 582.485 5.155 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409246004 1073080080 /nfs/dbraw/zinc/08/00/80/1073080080.db2.gz CJHUJXPGDNRDFT-INQBOMSASA-N 0 0 567.516 5.790 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409245672 1073081979 /nfs/dbraw/zinc/08/19/79/1073081979.db2.gz XJEJKPDHIXJBKU-MTJSOVHGSA-N 0 0 582.547 7.148 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1 ZINC000409245529 1073083369 /nfs/dbraw/zinc/08/33/69/1073083369.db2.gz VHLUGQVAPLIMBP-HMAPJEAMSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409245141 1073085803 /nfs/dbraw/zinc/08/58/03/1073085803.db2.gz NYWGTDIKEBMUSD-OYKKKHCWSA-N 0 0 569.104 6.397 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409244845 1073086884 /nfs/dbraw/zinc/08/68/84/1073086884.db2.gz JLNOKEQFEWKTEK-SXOHWRJOSA-N 0 0 567.516 5.790 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409244719 1073087691 /nfs/dbraw/zinc/08/76/91/1073087691.db2.gz HWAKLDLCRBFOPY-UCQKPKSFSA-N 0 0 588.538 6.491 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409244505 1073088039 /nfs/dbraw/zinc/08/80/39/1073088039.db2.gz DRVPKEUPACZPEE-HMAPJEAMSA-N 0 0 569.502 6.189 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409244556 1073088417 /nfs/dbraw/zinc/08/84/17/1073088417.db2.gz FKXNVMGXBATZFX-QQXSKIMKSA-N 0 0 581.159 7.341 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409244333 1073088477 /nfs/dbraw/zinc/08/84/77/1073088477.db2.gz BCOKVRFUJHTIBK-MSXFZWOLSA-N 0 0 573.523 6.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409243217 1073093561 /nfs/dbraw/zinc/09/35/61/1073093561.db2.gz QPEFBHSYFJYGFT-XYGWBWBKSA-N 0 0 553.105 6.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409242474 1073096802 /nfs/dbraw/zinc/09/68/02/1073096802.db2.gz NUSFPPKEPPQBSS-ZIHVZMLCSA-N 0 0 566.623 5.502 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409242553 1073097075 /nfs/dbraw/zinc/09/70/75/1073097075.db2.gz OMZUAJXXKDGXKX-FBHDLOMBSA-N 0 0 534.852 6.729 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409242184 1073097719 /nfs/dbraw/zinc/09/77/19/1073097719.db2.gz NJEFYIZEWMKJSJ-NKVSQWTQSA-N 0 0 567.878 7.209 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409242263 1073098391 /nfs/dbraw/zinc/09/83/91/1073098391.db2.gz QFWJHUWHJYSUJB-BDFPJNNISA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409242103 1073099114 /nfs/dbraw/zinc/09/91/14/1073099114.db2.gz LWRQMFSFNWCFLK-ONUIUJJFSA-N 0 0 581.159 7.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409241700 1073099738 /nfs/dbraw/zinc/09/97/38/1073099738.db2.gz TTYPBMHOJQZLHE-JAIQZWGSSA-N 0 0 563.539 6.010 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)c(OCC)c3)SC2=S)cc1 ZINC000409241636 1073100800 /nfs/dbraw/zinc/10/08/00/1073100800.db2.gz KUWRTKJXDAGYRX-QQXSKIMKSA-N 0 0 583.131 6.869 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409241509 1073101710 /nfs/dbraw/zinc/10/17/10/1073101710.db2.gz OASCPBOLFYNDMP-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1 ZINC000409241259 1073102195 /nfs/dbraw/zinc/10/21/95/1073102195.db2.gz JWGRZPDUEVRFOP-SSDVNMTOSA-N 0 0 530.433 6.085 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409241039 1073104213 /nfs/dbraw/zinc/10/42/13/1073104213.db2.gz MZNJPBMMEYOEKN-JJFYIABZSA-N 0 0 579.914 7.079 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O ZINC000409240754 1073106266 /nfs/dbraw/zinc/10/62/66/1073106266.db2.gz HRVQBQAJJUINFF-WSDLNYQXSA-N 0 0 539.405 5.090 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409240319 1073109391 /nfs/dbraw/zinc/10/93/91/1073109391.db2.gz SLGKIBBVASOMSS-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409240334 1073109458 /nfs/dbraw/zinc/10/94/58/1073109458.db2.gz SPVKMQVNXHBWSK-XKZIYDEJSA-N 0 0 587.948 7.143 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409239661 1073112369 /nfs/dbraw/zinc/11/23/69/1073112369.db2.gz ICHQEIPVSIEYBU-CFRMEGHHSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409239665 1073112431 /nfs/dbraw/zinc/11/24/31/1073112431.db2.gz IEHJVUHQIMKNAR-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409238739 1073118935 /nfs/dbraw/zinc/11/89/35/1073118935.db2.gz KXOPTQIRBXCNOX-HAHDFKILSA-N 0 0 573.523 6.463 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000409238312 1073121925 /nfs/dbraw/zinc/12/19/25/1073121925.db2.gz MRVVXIYXVQWXGM-USHMODERSA-N 0 0 566.704 7.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409237515 1073126513 /nfs/dbraw/zinc/12/65/13/1073126513.db2.gz UYTUSDXDTSVKFN-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1 ZINC000409237422 1073127714 /nfs/dbraw/zinc/12/77/14/1073127714.db2.gz WQORGDYUZZYOIJ-XYGWBWBKSA-N 0 0 550.658 5.526 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409251419 1073128225 /nfs/dbraw/zinc/12/82/25/1073128225.db2.gz QGDYPMDDCYMZQU-UCQKPKSFSA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)c2)cc1 ZINC000409251142 1073131296 /nfs/dbraw/zinc/13/12/96/1073131296.db2.gz OOMSCFFSJVFHRL-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409251012 1073132383 /nfs/dbraw/zinc/13/23/83/1073132383.db2.gz ZKLCMMULDOUDFX-PCLIKHOPSA-N 0 0 522.070 6.765 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409250790 1073132904 /nfs/dbraw/zinc/13/29/04/1073132904.db2.gz SEDZUXASKKVKAI-MYYYXRDXSA-N 0 0 552.121 6.446 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409250859 1073133346 /nfs/dbraw/zinc/13/33/46/1073133346.db2.gz NBNCKOINXAQYAE-MTJSOVHGSA-N 0 0 532.540 6.268 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409250252 1073136981 /nfs/dbraw/zinc/13/69/81/1073136981.db2.gz QEJOXZQSZGWLOM-OYKKKHCWSA-N 0 0 554.093 5.838 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)cc1Cl ZINC000409250257 1073137090 /nfs/dbraw/zinc/13/70/90/1073137090.db2.gz LXEYVZNOMYPQOP-SMNNTEATSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409250113 1073138099 /nfs/dbraw/zinc/13/80/99/1073138099.db2.gz LHYPAUNGUZNHGU-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1 ZINC000409249551 1073141767 /nfs/dbraw/zinc/14/17/67/1073141767.db2.gz NLOMNKHRLMQLFM-KSEXSDGBSA-N 0 0 558.512 6.483 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409249047 1073144260 /nfs/dbraw/zinc/14/42/60/1073144260.db2.gz IGKPGUDSPQXGBJ-MYYYXRDXSA-N 0 0 532.687 6.352 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409249056 1073144848 /nfs/dbraw/zinc/14/48/48/1073144848.db2.gz JFAHKPLIROGJBF-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409248962 1073145903 /nfs/dbraw/zinc/14/59/03/1073145903.db2.gz GERBRAPCUQRJLI-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409248504 1073148392 /nfs/dbraw/zinc/14/83/92/1073148392.db2.gz DMJYIGSECAVYMP-XYGWBWBKSA-N 0 0 534.659 5.195 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409248204 1073150091 /nfs/dbraw/zinc/15/00/91/1073150091.db2.gz CKOZLFZHBQIRSR-FIOJILPZSA-N 0 0 546.714 6.682 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409248113 1073151418 /nfs/dbraw/zinc/15/14/18/1073151418.db2.gz BZUNLWYVYRYINE-NAGKPISUSA-N 0 0 523.463 5.391 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409247572 1073153418 /nfs/dbraw/zinc/15/34/18/1073153418.db2.gz DJQJVAWKYGOGMW-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2OC)cc1 ZINC000409255363 1073156627 /nfs/dbraw/zinc/15/66/27/1073156627.db2.gz HMGKJLIJTVJIOR-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409257082 1073157800 /nfs/dbraw/zinc/15/78/00/1073157800.db2.gz NWZNVYVZJPGQBH-FIOJILPZSA-N 0 0 546.714 6.682 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1 ZINC000409256993 1073159041 /nfs/dbraw/zinc/15/90/41/1073159041.db2.gz QZFWWVAQMCZUAP-HMAPJEAMSA-N 0 0 544.576 6.137 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)SC1=S ZINC000409256819 1073159761 /nfs/dbraw/zinc/15/97/61/1073159761.db2.gz NOYUQBHOCZVULV-UKWGHVSLSA-N 0 0 525.479 6.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409256815 1073159794 /nfs/dbraw/zinc/15/97/94/1073159794.db2.gz QDEWINGWFVAGLF-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409256849 1073160182 /nfs/dbraw/zinc/16/01/82/1073160182.db2.gz MNKXTXRMWCAJIZ-HMAPJEAMSA-N 0 0 541.050 5.781 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 ZINC000409256295 1073161007 /nfs/dbraw/zinc/16/10/07/1073161007.db2.gz NFKVULITQHBVCV-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3)SC2=S)cc1 ZINC000409256033 1073163317 /nfs/dbraw/zinc/16/33/17/1073163317.db2.gz JDBAARAJYIKCFK-XYGWBWBKSA-N 0 0 516.688 6.598 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c(C)c1 ZINC000409256100 1073163896 /nfs/dbraw/zinc/16/38/96/1073163896.db2.gz NWNSXCOPMJAMOZ-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409255587 1073166189 /nfs/dbraw/zinc/16/61/89/1073166189.db2.gz HVUVHTGQXQAVDS-UHFFFAOYSA-N 0 0 589.648 6.303 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1Cl ZINC000409255613 1073166216 /nfs/dbraw/zinc/16/62/16/1073166216.db2.gz IALBMOLMVQRDBG-KSEXSDGBSA-N 0 0 543.497 7.034 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409255475 1073167362 /nfs/dbraw/zinc/16/73/62/1073167362.db2.gz ZYYYJVRAQMSEJE-OYKKKHCWSA-N 0 0 539.078 6.334 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409254727 1073170484 /nfs/dbraw/zinc/17/04/84/1073170484.db2.gz JFYYFKUZXFKOND-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409253829 1073177605 /nfs/dbraw/zinc/17/76/05/1073177605.db2.gz CBMJRKRIYKYFCA-PDESAOGPSA-N 0 0 539.078 6.329 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)SC1=S ZINC000409253727 1073178604 /nfs/dbraw/zinc/17/86/04/1073178604.db2.gz YECZKBPDZXDEDT-GEWRUKCFSA-N 0 0 527.042 6.459 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409253521 1073179643 /nfs/dbraw/zinc/17/96/43/1073179643.db2.gz VPDRCYOTURZGPE-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409253403 1073180675 /nfs/dbraw/zinc/18/06/75/1073180675.db2.gz BPXOWVYOHMDJLA-UHFFFAOYSA-N 0 0 735.962 7.253 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000409253458 1073181153 /nfs/dbraw/zinc/18/11/53/1073181153.db2.gz GHFAASQHEOFBCD-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409253213 1073183478 /nfs/dbraw/zinc/18/34/78/1073183478.db2.gz ZCHFPFTWHTYBJO-MYKKPKGFSA-N 0 0 573.523 7.124 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)SC1=S ZINC000409252824 1073184222 /nfs/dbraw/zinc/18/42/22/1073184222.db2.gz UCDNZMOSFIAIIH-STZFKDTASA-N 0 0 519.088 6.066 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409252427 1073187525 /nfs/dbraw/zinc/18/75/25/1073187525.db2.gz XTRUBJOWVSTLEM-FXBPXSCXSA-N 0 0 590.348 6.392 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409252267 1073188318 /nfs/dbraw/zinc/18/83/18/1073188318.db2.gz WZFPMOBAXXQBSG-QFEZKATASA-N 0 0 553.105 6.643 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)Nc1ccccc1 ZINC000409252098 1073189148 /nfs/dbraw/zinc/18/91/48/1073189148.db2.gz SKNRPTYPIBQBHH-DIBXZPPDSA-N 0 0 538.650 6.902 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(Br)c1O ZINC000409252136 1073189219 /nfs/dbraw/zinc/18/92/19/1073189219.db2.gz QTDKJFWKTBKONS-MOSHPQCFSA-N 0 0 514.422 6.361 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409252203 1073189539 /nfs/dbraw/zinc/18/95/39/1073189539.db2.gz WQQNVTANZOZIPK-MYYYXRDXSA-N 0 0 586.657 7.144 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409251706 1073192225 /nfs/dbraw/zinc/19/22/25/1073192225.db2.gz VTVRCKHMLQUZLM-QRVIBDJDSA-N 0 0 572.630 6.754 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1Cl ZINC000409251690 1073192281 /nfs/dbraw/zinc/19/22/81/1073192281.db2.gz BCUJZRYUBLGLLX-SMNNTEATSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409262904 1073195287 /nfs/dbraw/zinc/19/52/87/1073195287.db2.gz GDRIPXLSPWGVAD-YTLMXASBSA-N 0 0 526.680 5.018 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409267266 1073196078 /nfs/dbraw/zinc/19/60/78/1073196078.db2.gz MVNAKISKPNVYTN-UHFFFAOYSA-N 0 0 575.621 5.913 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409267065 1073198024 /nfs/dbraw/zinc/19/80/24/1073198024.db2.gz SBCOFNVBLIYYJD-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001274236 1073199147 /nfs/dbraw/zinc/19/91/47/1073199147.db2.gz JNPJRAURJZEHDO-STZFKDTASA-N 0 0 552.475 5.913 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409266535 1073200592 /nfs/dbraw/zinc/20/05/92/1073200592.db2.gz ZPZNZJRKOWXKOJ-UHFFFAOYSA-N 0 0 575.621 5.913 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409266595 1073201062 /nfs/dbraw/zinc/20/10/62/1073201062.db2.gz QGXUELLABNQESJ-ONUIUJJFSA-N 0 0 547.702 5.883 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409266437 1073201884 /nfs/dbraw/zinc/20/18/84/1073201884.db2.gz WUHPCXYEHDDRLP-UCQKPKSFSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409266283 1073202862 /nfs/dbraw/zinc/20/28/62/1073202862.db2.gz XNYDWQKIYJHNHY-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1 ZINC000409265938 1073204468 /nfs/dbraw/zinc/20/44/68/1073204468.db2.gz WZQQXXJWQNKOCO-HAHDFKILSA-N 0 0 542.604 6.691 40 10 KKCBRN O=C(COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409265741 1073206127 /nfs/dbraw/zinc/20/61/27/1073206127.db2.gz OJZKXRHJEKJHBY-UHFFFAOYSA-N 0 0 675.333 6.813 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265735 1073206164 /nfs/dbraw/zinc/20/61/64/1073206164.db2.gz OHEWFCGLRGDFJD-JGVLGKFESA-N 0 0 533.071 5.055 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409265454 1073207595 /nfs/dbraw/zinc/20/75/95/1073207595.db2.gz UZIKXPFECATIQV-ODLFYWEKSA-N 0 0 519.431 6.005 40 10 KKCBRN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000033688820 1073207863 /nfs/dbraw/zinc/20/78/63/1073207863.db2.gz LIEOETXYDHOKID-JJIBRWJFSA-N 0 0 526.127 7.373 40 10 KKCBRN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)oc21 ZINC000033515822 1073207965 /nfs/dbraw/zinc/20/79/65/1073207965.db2.gz WEPKFYDWWIEHEQ-BTVXTAIASA-N 0 0 517.632 5.674 40 10 KKCBRN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000033931971 1073208448 /nfs/dbraw/zinc/20/84/48/1073208448.db2.gz DVAUXFBFGRDQPZ-BUVRLJJBSA-N 0 0 518.063 6.603 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000409265176 1073208900 /nfs/dbraw/zinc/20/89/00/1073208900.db2.gz REFPQKAEWANFDY-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1OC ZINC000035040023 1073209021 /nfs/dbraw/zinc/20/90/21/1073209021.db2.gz JFMOZLLGGKCZKY-UCQKPKSFSA-N 0 0 510.593 5.624 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409265009 1073209628 /nfs/dbraw/zinc/20/96/28/1073209628.db2.gz MEAFLTWDSASLAL-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000409264789 1073210156 /nfs/dbraw/zinc/21/01/56/1073210156.db2.gz QHEPYDITLVPFID-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(F)c(Cl)c1 ZINC000409264639 1073210924 /nfs/dbraw/zinc/21/09/24/1073210924.db2.gz QNIORKXJFDJZQC-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409264469 1073211243 /nfs/dbraw/zinc/21/12/43/1073211243.db2.gz KKADOZZWAZKLNP-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409264247 1073213576 /nfs/dbraw/zinc/21/35/76/1073213576.db2.gz PZIYNIZMAXAALN-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000409264091 1073214309 /nfs/dbraw/zinc/21/43/09/1073214309.db2.gz KTGDMJXQPQWGTN-CFRMEGHHSA-N 0 0 537.106 6.997 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)cc1C ZINC000409264092 1073214363 /nfs/dbraw/zinc/21/43/63/1073214363.db2.gz JQJNWHJIAXZYRA-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409263988 1073215047 /nfs/dbraw/zinc/21/50/47/1073215047.db2.gz IYFYUICQGNZOET-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263678 1073217017 /nfs/dbraw/zinc/21/70/17/1073217017.db2.gz NQPHDYHMPWODAP-ONUIUJJFSA-N 0 0 532.687 5.773 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4CC)c3)SC2=S)cc1 ZINC000409262722 1073219933 /nfs/dbraw/zinc/21/99/33/1073219933.db2.gz JREQXEFSVBJVMX-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409263122 1073220057 /nfs/dbraw/zinc/22/00/57/1073220057.db2.gz ABYFPFZBPRLHQL-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c1 ZINC000409262811 1073220324 /nfs/dbraw/zinc/22/03/24/1073220324.db2.gz HPEARIBZFIIBNX-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)SC2=S)cc1 ZINC000409262252 1073223377 /nfs/dbraw/zinc/22/33/77/1073223377.db2.gz GILFBUKXYNGAGK-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409262080 1073223698 /nfs/dbraw/zinc/22/36/98/1073223698.db2.gz DULPLJFDYRFJBF-XKZIYDEJSA-N 0 0 529.039 5.751 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409261808 1073225765 /nfs/dbraw/zinc/22/57/65/1073225765.db2.gz BPRWHBPAKYCVCD-UHFFFAOYSA-N 0 0 715.544 6.908 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)c2)c(C)c1 ZINC000409261665 1073226518 /nfs/dbraw/zinc/22/65/18/1073226518.db2.gz ACJXTERDQCHKGS-MYYYXRDXSA-N 0 0 516.688 6.652 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2OC)c1 ZINC000409261388 1073228498 /nfs/dbraw/zinc/22/84/98/1073228498.db2.gz BFAFKIWTUWQKRH-QFEZKATASA-N 0 0 534.659 5.744 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409261244 1073229185 /nfs/dbraw/zinc/22/91/85/1073229185.db2.gz BHTZKQQNEIUNDM-UHSZJLINSA-N 0 0 546.714 6.628 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409261001 1073229620 /nfs/dbraw/zinc/22/96/20/1073229620.db2.gz ZQLOMQUNXUZRLM-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409260794 1073232258 /nfs/dbraw/zinc/23/22/58/1073232258.db2.gz WNEVZUOAMKBWBI-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409260571 1073232732 /nfs/dbraw/zinc/23/27/32/1073232732.db2.gz SHVFKXACHJQFKO-GEWRUKCFSA-N 0 0 543.497 6.973 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409260588 1073233074 /nfs/dbraw/zinc/23/30/74/1073233074.db2.gz SNCSLWRMBHHEQN-STZFKDTASA-N 0 0 514.550 6.129 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409260429 1073233748 /nfs/dbraw/zinc/23/37/48/1073233748.db2.gz QDTBRLNZIKMDHJ-UNOMPAQXSA-N 0 0 521.458 5.086 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2OC)cc1 ZINC000409260307 1073234622 /nfs/dbraw/zinc/23/46/22/1073234622.db2.gz OHYQPEHRLRQFAC-ITYLOYPMSA-N 0 0 532.687 5.719 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409260091 1073235054 /nfs/dbraw/zinc/23/50/54/1073235054.db2.gz KMKGJANFXYEIMN-CCVNUDIWSA-N 0 0 612.579 7.710 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)c(OC)c3)SC2=S)cc1 ZINC000409260138 1073235471 /nfs/dbraw/zinc/23/54/71/1073235471.db2.gz LIJZGIANJSOMSW-XYGWBWBKSA-N 0 0 548.686 6.134 40 10 KKCBRN O=C(CN1C(=O)SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C1=O)Nc1ccc(I)cc1 ZINC000409260233 1073236291 /nfs/dbraw/zinc/23/62/91/1073236291.db2.gz NBXMQLKMDVVFIC-SSLVMFCSSA-N 0 0 652.392 7.106 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409260006 1073236539 /nfs/dbraw/zinc/23/65/39/1073236539.db2.gz JBPKTIUHEJQVCQ-ZIHVZMLCSA-N 0 0 533.071 5.136 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)SC1=S ZINC000409259694 1073237880 /nfs/dbraw/zinc/23/78/80/1073237880.db2.gz CQKCJMDJFFGTKO-MTJSOVHGSA-N 0 0 539.506 6.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409259283 1073240624 /nfs/dbraw/zinc/24/06/24/1073240624.db2.gz YALGRBPUKKEBRA-XKZIYDEJSA-N 0 0 535.087 5.302 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)SC2=S)cc1Cl ZINC000409259288 1073240693 /nfs/dbraw/zinc/24/06/93/1073240693.db2.gz YOTHPBIRDPRRJN-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258697 1073243722 /nfs/dbraw/zinc/24/37/22/1073243722.db2.gz ZEUVRSLDXADZGZ-CFKHXJFWSA-N 0 0 526.680 5.100 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)SC2=S)cc1 ZINC000409258293 1073247166 /nfs/dbraw/zinc/24/71/66/1073247166.db2.gz VXMSNJRAWDXEPR-UCQKPKSFSA-N 0 0 525.051 6.162 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409258170 1073247975 /nfs/dbraw/zinc/24/79/75/1073247975.db2.gz WUKJXQUOZVANCA-YLRSXTQRSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409257843 1073249547 /nfs/dbraw/zinc/24/95/47/1073249547.db2.gz QOMGADJNWOFZHE-CVHFWEDTSA-N 0 0 533.071 5.136 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409272527 1073253775 /nfs/dbraw/zinc/25/37/75/1073253775.db2.gz ZMHRIEVAVQWIJY-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)c1 ZINC000409272447 1073255806 /nfs/dbraw/zinc/25/58/06/1073255806.db2.gz YTXZAUHLWIFEBE-HMAPJEAMSA-N 0 0 539.476 6.181 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409272055 1073259674 /nfs/dbraw/zinc/25/96/74/1073259674.db2.gz OCEYRQCKXKQLIA-ZDLGFXPLSA-N 0 0 539.448 5.224 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)N1CCOCC1 ZINC000409271653 1073261475 /nfs/dbraw/zinc/26/14/75/1073261475.db2.gz VSTWORNYZJVPQL-BWAHOGKJSA-N 0 0 532.643 5.122 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409271480 1073262269 /nfs/dbraw/zinc/26/22/69/1073262269.db2.gz LKYVXQZZMYLQBU-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409271243 1073264721 /nfs/dbraw/zinc/26/47/21/1073264721.db2.gz STYHNQNAEOIEBJ-WQRHYEAKSA-N 0 0 521.458 5.085 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409270794 1073267940 /nfs/dbraw/zinc/26/79/40/1073267940.db2.gz RDWPNMQKYVEXDZ-MYYYXRDXSA-N 0 0 532.687 6.352 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409270346 1073270927 /nfs/dbraw/zinc/27/09/27/1073270927.db2.gz DKMZIMWWASMANU-JCMHNJIXSA-N 0 0 543.497 6.455 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)SC1=S ZINC000409269958 1073273773 /nfs/dbraw/zinc/27/37/73/1073273773.db2.gz MPSRKGCFUAUFGI-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409269652 1073275727 /nfs/dbraw/zinc/27/57/27/1073275727.db2.gz LEDRZBYDWOKLLC-ONUIUJJFSA-N 0 0 547.702 5.883 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409269691 1073276104 /nfs/dbraw/zinc/27/61/04/1073276104.db2.gz LRTAJGSKABHJKF-UWVJOHFNSA-N 0 0 511.452 5.631 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2OC)cc1 ZINC000409269090 1073280534 /nfs/dbraw/zinc/28/05/34/1073280534.db2.gz DYMAVUUAROJNRX-IWIPYMOSSA-N 0 0 522.623 5.820 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000409268273 1073284378 /nfs/dbraw/zinc/28/43/78/1073284378.db2.gz RUPFZPICCORXDP-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409268008 1073286251 /nfs/dbraw/zinc/28/62/51/1073286251.db2.gz YQNADIMELZBRRY-JLPGSUDCSA-N 0 0 517.676 5.793 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409267877 1073287108 /nfs/dbraw/zinc/28/71/08/1073287108.db2.gz PLTYEBMITHESGL-XKZIYDEJSA-N 0 0 517.072 5.454 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)SC2=S)c(C)c1 ZINC000409267339 1073290308 /nfs/dbraw/zinc/29/03/08/1073290308.db2.gz TWTRLYOCQHKCAN-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409275224 1073301372 /nfs/dbraw/zinc/30/13/72/1073301372.db2.gz SRMIBRHSYDSZGD-JVWAILMASA-N 0 0 545.617 5.939 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409277121 1073323786 /nfs/dbraw/zinc/32/37/86/1073323786.db2.gz ZGNNBQSUCKRYQZ-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000059418120 193897408 /nfs/dbraw/zinc/89/74/08/193897408.db2.gz RTORQFDURSAJSF-YDZHTSKRSA-N 0 0 500.016 6.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000225532302 193966783 /nfs/dbraw/zinc/96/67/83/193966783.db2.gz MCVFZHTVBSGMIJ-VSGBNLITSA-N 0 0 510.667 5.194 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225548544 193978530 /nfs/dbraw/zinc/97/85/30/193978530.db2.gz HXIWYUYNIVQZNE-LOYHVIPDSA-N 0 0 591.703 7.072 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408851829 195491585 /nfs/dbraw/zinc/49/15/85/195491585.db2.gz GLRQLUWGDLGILW-JFLMPSFJSA-N 0 0 617.551 6.306 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408853124 195494908 /nfs/dbraw/zinc/49/49/08/195494908.db2.gz PYSAICBFYSDHRP-YDZHTSKRSA-N 0 0 560.922 7.486 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409049477 195496502 /nfs/dbraw/zinc/49/65/02/195496502.db2.gz RBMVQMCBACGCDO-NVNXTCNLSA-N 0 0 571.727 7.183 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409050395 195499599 /nfs/dbraw/zinc/49/95/99/195499599.db2.gz VIQSJFLXSQXFMP-MKMNVTDBSA-N 0 0 561.721 7.727 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)sc2=N1 ZINC000409050523 195499972 /nfs/dbraw/zinc/49/99/72/195499972.db2.gz WSVPLKDDDKFSDD-XNMXCUJWSA-N 0 0 621.734 5.924 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c3)SC2=S)cc1 ZINC000409231083 195505994 /nfs/dbraw/zinc/50/59/94/195505994.db2.gz IDZQVUIXBXFHGP-QRVIBDJDSA-N 0 0 574.602 6.146 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)SC1=S ZINC000409231671 195507857 /nfs/dbraw/zinc/50/78/57/195507857.db2.gz FGUQJVHXBMICTP-MOSHPQCFSA-N 0 0 549.512 5.321 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409232485 195509956 /nfs/dbraw/zinc/50/99/56/195509956.db2.gz INQGIRPDLRVVHV-FIJRTHIRSA-N 0 0 567.516 5.790 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1C(F)(F)F)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000001293910 551637368 /nfs/dbraw/zinc/63/73/68/551637368.db2.gz ZWLPHQWKKCSQQB-HKBOAZHASA-N 0 0 525.866 5.054 40 10 KKCBRN O=C1/C(=C\c2cccc(Cl)c2)N=C(c2ccccc2)N1n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000001635960 551687113 /nfs/dbraw/zinc/68/71/13/551687113.db2.gz CWRYGBUNNYNGAO-LGUFXXKBSA-N 0 0 502.961 5.683 40 10 KKCBRN COC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000002258616 551803614 /nfs/dbraw/zinc/80/36/14/551803614.db2.gz AZHFMQNWSAANNP-TZRRMPRUSA-N 0 0 514.375 5.056 40 10 KKCBRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c(Cl)c2)c(C)c1 ZINC000003077287 552285283 /nfs/dbraw/zinc/28/52/83/552285283.db2.gz VMUWEFHSXPQLCV-UHFFFAOYSA-N 0 0 507.077 5.792 40 10 KKCBRN COc1ccc(-c2csc(=Nc3cccc(Br)c3)n2-c2cccc(Br)c2)cc1 ZINC000003185631 552301439 /nfs/dbraw/zinc/30/14/39/552301439.db2.gz FMSITMAZYUUEEP-UHFFFAOYSA-O 0 0 517.266 6.969 40 10 KKCBRN Cc1cc(C(=O)COC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003410066 552381867 /nfs/dbraw/zinc/38/18/67/552381867.db2.gz MZHJJGQRGMNLFU-VDTQWLKDSA-N 0 0 539.672 6.704 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000003768816 552415376 /nfs/dbraw/zinc/41/53/76/552415376.db2.gz DHEAWFBJJFNDMK-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000003768820 552415395 /nfs/dbraw/zinc/41/53/95/552415395.db2.gz QTDKGQNAYGDHDC-AFUMVMLFSA-N 0 0 566.929 8.241 40 10 KKCBRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000003830973 552419501 /nfs/dbraw/zinc/41/95/01/552419501.db2.gz VHVPQPYKVGDNFY-DKYCYSLVSA-N 0 0 705.647 5.577 40 10 in-vitro KKCBRN O=C(Nc1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000003954131 552423592 /nfs/dbraw/zinc/42/35/92/552423592.db2.gz SJXWLTLBIFRQQM-UHFFFAOYSA-N 0 0 548.554 6.233 40 10 in-vitro KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000004182203 552446879 /nfs/dbraw/zinc/44/68/79/552446879.db2.gz WNLOAQILYOVIBN-NJYVYQBISA-N 0 0 526.759 5.342 40 10 KKCBRN Nc1nn2c([nH]c(=O)cc2-c2ccccc2)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000004262760 552454342 /nfs/dbraw/zinc/45/43/42/552454342.db2.gz GKPZPINMHPEKCS-OCOZRVBESA-N 0 0 567.039 5.975 40 10 KKCBRN Cc1cc(C)c(NN=C2C(=O)C=Cc3cc(Br)ccc32)cc1NN=C1C(=O)C=Cc2cc(Br)ccc21 ZINC000004265999 552454866 /nfs/dbraw/zinc/45/48/66/552454866.db2.gz IXNDVNHTHMKJMN-FMWAKIAMSA-N 0 0 604.302 10.377 40 10 KKCBRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(O)(c2ccccc2)c2ccccc2)c1)c1ccccc1 ZINC000004773099 552481527 /nfs/dbraw/zinc/48/15/27/552481527.db2.gz GQGLVKQECAALNS-UHFFFAOYSA-N 0 0 570.692 5.572 40 10 KKCBRN O=C1c2c(-c3ccccc3)ccc(-c3ccccc3)c2C(=O)c2c(-c3ccccc3)ccc(-c3ccccc3)c21 ZINC000005049436 552492684 /nfs/dbraw/zinc/49/26/84/552492684.db2.gz JWAZHGKAGAMFLE-UHFFFAOYSA-N 0 0 512.608 9.130 40 10 KKCBRN COc1cc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc(OC)c1OC ZINC000005545786 552504840 /nfs/dbraw/zinc/50/48/40/552504840.db2.gz UTXKAEJVXOAKIN-IWIPYMOSSA-N 0 0 559.578 5.292 40 10 KKCBRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(/C=C(/c3ccccc3)[S@@](=O)Cc3ccccc3)C2=O)cc1 ZINC000005855066 552511093 /nfs/dbraw/zinc/51/10/93/552511093.db2.gz LPMKRNYJQBZTKX-OSQSVSJJSA-N 0 0 518.685 5.794 40 10 KKCBRN CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000005941087 552513741 /nfs/dbraw/zinc/51/37/41/552513741.db2.gz CCBWYYKVKJXQCW-XPPXZGBYSA-N 0 0 556.662 6.776 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1ccccc1I ZINC000006475291 552593271 /nfs/dbraw/zinc/59/32/71/552593271.db2.gz ABYFOMSRFJISPF-MRJKTFCFSA-N 0 0 542.420 7.523 40 10 KKCBRN CCn1cc(/C=C2/c3ccc(Cl)cc3N(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c2ccccc21 ZINC000008764798 553138131 /nfs/dbraw/zinc/13/81/31/553138131.db2.gz SIDDCUWVUDPVKI-FJIKOBKFSA-N 0 0 525.052 5.440 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000008767194 553139801 /nfs/dbraw/zinc/13/98/01/553139801.db2.gz XHHXFJDYVKSIAZ-RWMJBNKPSA-N 0 0 526.772 5.903 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000008769725 553140759 /nfs/dbraw/zinc/14/07/59/553140759.db2.gz MDQBIZLGMFTNEB-XTKZNLMDSA-N 0 0 526.772 5.903 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000008819853 553154484 /nfs/dbraw/zinc/15/44/84/553154484.db2.gz JAZBDDAIMXXBDW-RGEXLXHISA-N 0 0 509.480 6.402 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 ZINC000008819910 553154677 /nfs/dbraw/zinc/15/46/77/553154677.db2.gz MNGBKPOQMXQWSO-CLCOLTQESA-N 0 0 510.725 6.284 40 10 KKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000008820380 553155420 /nfs/dbraw/zinc/15/54/20/553155420.db2.gz NWNQLFSWIXKGGM-FJASIERCSA-N 0 0 512.081 5.783 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)cc1 ZINC000008820522 553155441 /nfs/dbraw/zinc/15/54/41/553155441.db2.gz PSQKLIMJOCUJEI-LZIGBDTQSA-N 0 0 519.717 6.219 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821771 553156108 /nfs/dbraw/zinc/15/61/08/553156108.db2.gz KFXKDGBXOFGVNW-OYKKKHCWSA-N 0 0 507.999 5.968 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000008857629 553168303 /nfs/dbraw/zinc/16/83/03/553168303.db2.gz VKTDVHTYSZFDIN-LYBHJNIJSA-N 0 0 506.718 6.743 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C2=N)S1 ZINC000008916799 553186809 /nfs/dbraw/zinc/18/68/09/553186809.db2.gz QQSQPVYHPZMAGB-OGOSQDPWSA-N 0 0 501.612 5.538 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000009310611 553239094 /nfs/dbraw/zinc/23/90/94/553239094.db2.gz YCMNRLBAHXEBJK-LFVJCYFKSA-N 0 0 526.680 5.645 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000009310725 553239111 /nfs/dbraw/zinc/23/91/11/553239111.db2.gz ACVFCCATWRAICG-HYARGMPZSA-N 0 0 518.498 6.571 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000009425473 553259540 /nfs/dbraw/zinc/25/95/40/553259540.db2.gz WJBXVIWQPBNQAB-PERRAXLGSA-N 0 0 513.019 5.452 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000009444689 553264826 /nfs/dbraw/zinc/26/48/26/553264826.db2.gz VWVNZFRNOMHRSI-HMMYKYKNSA-N 0 0 503.045 5.527 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)c(OC)c3)C2=N)S1 ZINC000009762111 553303024 /nfs/dbraw/zinc/30/30/24/553303024.db2.gz RMOZHHPVILDKQL-BTKQHFLTSA-N 0 0 506.628 5.579 40 10 KKCBRN CCN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010113248 553328916 /nfs/dbraw/zinc/32/89/16/553328916.db2.gz RBNMKZLZYOMWKU-UHFFFAOYSA-N 0 0 523.724 5.544 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(C)c2C)cc1 ZINC000010113162 553328962 /nfs/dbraw/zinc/32/89/62/553328962.db2.gz CKGFHNAPKPZQEN-UHFFFAOYSA-N 0 0 505.684 5.114 40 10 KKCBRN Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010113591 553329312 /nfs/dbraw/zinc/32/93/12/553329312.db2.gz OCYUCMRRRZOZDV-UHFFFAOYSA-N 0 0 512.075 5.069 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000012284887 553356313 /nfs/dbraw/zinc/35/63/13/553356313.db2.gz WQLUSBGJYWFNFM-ZDVLJFOBSA-N 0 0 514.582 5.995 40 10 KKCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000012652238 553409768 /nfs/dbraw/zinc/40/97/68/553409768.db2.gz QPEMKMLSOBIHEK-NVQSTNCTSA-N 0 0 504.896 6.636 40 10 KKCBRN CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025156 553435465 /nfs/dbraw/zinc/43/54/65/553435465.db2.gz BNAWREDZTOGTQU-NDEPHWFRSA-N 0 0 501.627 5.126 40 10 KKCBRN CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013568339 553473668 /nfs/dbraw/zinc/47/36/68/553473668.db2.gz UJRNRAOXFMBVGD-UHFFFAOYSA-N 0 0 519.092 5.129 40 10 KKCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670850 553481839 /nfs/dbraw/zinc/48/18/39/553481839.db2.gz LKNMGKJTENUCNX-UHFFFAOYSA-N 0 0 525.674 5.612 40 10 KKCBRN O=C(Nc1cc(Cl)cc(Cl)c1)Oc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000015014003 553525517 /nfs/dbraw/zinc/52/55/17/553525517.db2.gz QPJHYLCJCJKLSZ-NXFFSXPPSA-N 0 0 509.436 5.985 40 10 KKCBRN Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000015012163 553525590 /nfs/dbraw/zinc/52/55/90/553525590.db2.gz UWAGDIYDKIJCFU-OEAKJJBVSA-N 0 0 510.478 6.738 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)SC2=S)cc1 ZINC000016216669 553556833 /nfs/dbraw/zinc/55/68/33/553556833.db2.gz MTYGUBKARYGLRU-QRVIBDJDSA-N 0 0 500.016 6.468 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000016216704 553556985 /nfs/dbraw/zinc/55/69/85/553556985.db2.gz FZINNLGSYAMQBR-OYKKKHCWSA-N 0 0 512.052 6.338 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCOCC3)=NC2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291756 553559029 /nfs/dbraw/zinc/55/90/29/553559029.db2.gz GCIUKNWBGIQOCY-NWDKLRFASA-N 0 0 522.670 6.333 40 10 KKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000016312064 553559981 /nfs/dbraw/zinc/55/99/81/553559981.db2.gz JSJWZSMVFWBUCJ-OVVQPSECSA-N 0 0 510.619 5.976 40 10 KKCBRN CC(C)(C)c1ccc(OCCn2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000016323267 553560318 /nfs/dbraw/zinc/56/03/18/553560318.db2.gz PRYJQQQBOYQMAV-TURZUDJPSA-N 0 0 526.727 7.419 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OCC)cc1 ZINC000016638328 553570542 /nfs/dbraw/zinc/57/05/42/553570542.db2.gz RPABKVIGPQBKLU-NCELDCMTSA-N 0 0 515.697 6.333 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000016689059 553573469 /nfs/dbraw/zinc/57/34/69/553573469.db2.gz WHNAHWGFGKRQJG-MYYYXRDXSA-N 0 0 510.080 7.028 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1F ZINC000016689276 553573472 /nfs/dbraw/zinc/57/34/72/553573472.db2.gz JTWUHGSHATVUDM-MYYYXRDXSA-N 0 0 509.624 6.213 40 10 KKCBRN COc1ccccc1NN=c1c2nc3ccccc3nc1n(-c1ccccc1C)c(=S)n2-c1ccccn1 ZINC000018066839 553603126 /nfs/dbraw/zinc/60/31/26/553603126.db2.gz CGGWFNMQLZOTJV-JEIPZWNWSA-N 0 0 517.618 7.119 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000018249805 553611306 /nfs/dbraw/zinc/61/13/06/553611306.db2.gz LYLVDEMZOFKAJX-DSNGMDLFSA-N 0 0 507.929 5.188 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2ccccc2C2N(Cc3ccc(N(C)C)cc3)CCCN2Cc2ccc(N(C)C)cc2)cc1 ZINC000019325748 553613452 /nfs/dbraw/zinc/61/34/52/553613452.db2.gz DYGFAZJMTPSTDY-UHFFFAOYSA-N 0 0 597.829 6.335 40 10 KKCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc(Cl)ccc3Oc3ccccc3)C2=O)cc1 ZINC000020288303 553633014 /nfs/dbraw/zinc/63/30/14/553633014.db2.gz DGIQNHABMXFXME-RRAHZORUSA-N 0 0 509.993 7.278 40 10 KKCBRN Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)cc2)cc1 ZINC000083317421 553676988 /nfs/dbraw/zinc/67/69/88/553676988.db2.gz BIGRWUVTKSCSSO-ZXVVBBHZSA-N 0 0 503.514 5.957 40 10 KKCBRN O=C(c1cc2cc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1O ZINC000097949056 553798939 /nfs/dbraw/zinc/79/89/39/553798939.db2.gz UUQJQZFHDBGCTD-JOCHJYFZSA-N 0 0 635.882 8.739 40 10 KKCBRN COc1ccc(C2=NN(C(=O)CC34C[C@H]5C[C@@H](C3)CC(n3cc(Br)c([N+](=O)[O-])n3)(C5)C4)[C@@H](c3ccccc3O)C2)c(OC)c1 ZINC000097949194 553800309 /nfs/dbraw/zinc/80/03/09/553800309.db2.gz GUBKXYGMOIIYGA-FDTSOEKMSA-N 0 0 664.557 6.340 40 10 KKCBRN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000097952138 553813516 /nfs/dbraw/zinc/81/35/16/553813516.db2.gz YCJJYVRHQNLDFK-OLWNVYNHSA-N 0 0 530.624 7.966 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccc(C)cc1 ZINC000027061524 553824855 /nfs/dbraw/zinc/82/48/55/553824855.db2.gz GPNLITVLCLZZAP-NBKMAVCRSA-N 0 0 501.629 6.024 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000027836204 553836781 /nfs/dbraw/zinc/83/67/81/553836781.db2.gz WVLQGASLUONQJU-DOELSWKASA-N 0 0 527.046 5.780 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000097958677 553856906 /nfs/dbraw/zinc/85/69/06/553856906.db2.gz ZFZHMYWOESOTJZ-HRGGDFJBSA-N 0 0 554.075 6.658 40 10 KKCBRN CCN(CC)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(CC)CC)cc2)cc1 ZINC000031494753 553861431 /nfs/dbraw/zinc/86/14/31/553861431.db2.gz MNEPURVJQJNPQW-UHFFFAOYSA-N 0 0 500.730 8.943 40 10 KKCBRN Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000032109368 553862844 /nfs/dbraw/zinc/86/28/44/553862844.db2.gz PRDYDBKLGFQBIY-WLVCJLKNSA-N 0 0 505.603 5.946 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000032109434 553863147 /nfs/dbraw/zinc/86/31/47/553863147.db2.gz VPCDFFVSKHVCDN-QAUTUDTGSA-N 0 0 500.983 5.876 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000097959451 553864007 /nfs/dbraw/zinc/86/40/07/553864007.db2.gz SXHFQXSZWJKYQF-COMMJETJSA-N 0 0 585.524 6.458 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000032124982 553865948 /nfs/dbraw/zinc/86/59/48/553865948.db2.gz PVJHCLSLFGDGHH-HAHDFKILSA-N 0 0 508.646 6.859 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(Br)ccc2OCCOc2ccc(C3CCCCC3)cc2)SC1=S ZINC000097961886 553881380 /nfs/dbraw/zinc/88/13/80/553881380.db2.gz CFTLNYMUCLMJAE-XQNSMLJCSA-N 0 0 532.525 6.786 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2OC)cc1 ZINC000097961916 553881739 /nfs/dbraw/zinc/88/17/39/553881739.db2.gz RSMHFLFKJZVLTN-FUESHPTCSA-N 0 0 598.725 6.651 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cn(-c5ccccc5)nc4-c4ccc(Cl)cc4)C3=N)S2)c1 ZINC000097964282 553896956 /nfs/dbraw/zinc/89/69/56/553896956.db2.gz QRARSDKNELZCMB-AQFRBSOJSA-N 0 0 553.047 6.199 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCCCOc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000097964380 553897757 /nfs/dbraw/zinc/89/77/57/553897757.db2.gz MWNMFLNCGKUUFW-BOPFTXTBSA-N 0 0 577.747 6.544 40 10 KKCBRN Cc1cc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2Br)ccc1Cl ZINC000097964376 553897797 /nfs/dbraw/zinc/89/77/97/553897797.db2.gz ULIHNZPRFFDAAR-YVLHZVERSA-N 0 0 577.747 6.462 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 ZINC000097964808 553900908 /nfs/dbraw/zinc/90/09/08/553900908.db2.gz VJXKOSQBGTXYIA-SWRNOLMKSA-N 0 0 538.010 5.082 40 10 KKCBRN N=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964798 553900928 /nfs/dbraw/zinc/90/09/28/553900928.db2.gz LHDZFYKAFUDTJC-JHFHIRINSA-N 0 0 541.036 5.826 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1C ZINC000097964943 553901957 /nfs/dbraw/zinc/90/19/57/553901957.db2.gz YNJPYVDPZPICOS-DKTQLMGPSA-N 0 0 574.728 6.473 40 10 KKCBRN CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000033730209 553970828 /nfs/dbraw/zinc/97/08/28/553970828.db2.gz FEAXNSHIWNABST-VKJUEJGOSA-N 0 0 516.545 5.623 40 10 KKCBRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)C1 ZINC000097979036 553975826 /nfs/dbraw/zinc/97/58/26/553975826.db2.gz PPXLGAXJRVCZBM-LZOGZVGESA-N 0 0 534.638 5.564 40 10 KKCBRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4OC)c(C)c3)n2-c2ccccc2)c1 ZINC000097979218 553977216 /nfs/dbraw/zinc/97/72/16/553977216.db2.gz FBMQODRJGFVRIG-BSRQYYOTSA-N 0 0 669.833 7.428 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979963 553983908 /nfs/dbraw/zinc/98/39/08/553983908.db2.gz XJVWZSUDCMTEDP-DNMGOFQOSA-N 0 0 559.179 7.387 40 10 KKCBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999469 554043210 /nfs/dbraw/zinc/04/32/10/554043210.db2.gz GYWXPURVSNZRDM-WOEXDYTESA-N 0 0 610.864 10.250 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)c1ccc(Br)cc1 ZINC000098002635 554053718 /nfs/dbraw/zinc/05/37/18/554053718.db2.gz HHDNBQMRWHTRDF-VVZHRXSXSA-N 0 0 567.277 7.078 40 10 KKCBRN Brc1cc2c(cc1[C@@H]1Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]31)OCO2 ZINC000036081005 554174534 /nfs/dbraw/zinc/17/45/34/554174534.db2.gz PNABXWBGHYEWAJ-UFUJAEFTSA-N 0 0 504.468 7.472 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000100055185 554195893 /nfs/dbraw/zinc/19/58/93/554195893.db2.gz RBQCNMXHQCLNQZ-MEFGMAGPSA-N 0 0 544.448 8.847 40 10 KKCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100076811 554204797 /nfs/dbraw/zinc/20/47/97/554204797.db2.gz JSBWHMVRIQYANU-UHFFFAOYSA-N 0 0 542.101 5.241 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000036613177 554226253 /nfs/dbraw/zinc/22/62/53/554226253.db2.gz UVYNACPSHUUJOU-OCKHKDLRSA-N 0 0 510.862 6.054 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000037170885 554230821 /nfs/dbraw/zinc/23/08/21/554230821.db2.gz GVSFTRNRZBWPHC-GOHWNWGWSA-N 0 0 510.859 7.825 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000100198624 554246393 /nfs/dbraw/zinc/24/63/93/554246393.db2.gz QZRXHABMIPBGHX-YVLHZVERSA-N 0 0 529.396 5.239 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C=C(c4ccc(OCC)cc4)OC3=O)c2-c2ccccc2)cc1 ZINC000100211712 554249218 /nfs/dbraw/zinc/24/92/18/554249218.db2.gz UVTXOPGNKRWHIF-SXBRIOAWSA-N 0 0 581.668 8.368 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100224521 554252695 /nfs/dbraw/zinc/25/26/95/554252695.db2.gz ASCHRUVDIVOANQ-UCQKPKSFSA-N 0 0 520.588 5.614 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCC ZINC000100229931 554255204 /nfs/dbraw/zinc/25/52/04/554255204.db2.gz OZCYFFVGONSSEM-KOEQRZSOSA-N 0 0 599.481 7.292 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230019 554255539 /nfs/dbraw/zinc/25/55/39/554255539.db2.gz CMFFULVPJSAAMN-KEBDBYFISA-N 0 0 560.271 8.023 40 10 KKCBRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000100257617 554264753 /nfs/dbraw/zinc/26/47/53/554264753.db2.gz FQVDEHCYAJKSHB-UHFFFAOYSA-N 0 0 532.603 6.028 40 10 KKCBRN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2OC)cc1 ZINC000100266903 554267195 /nfs/dbraw/zinc/26/71/95/554267195.db2.gz SANYATODTZOUQZ-JZUBHEMNSA-N 0 0 542.617 5.137 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000100267150 554267487 /nfs/dbraw/zinc/26/74/87/554267487.db2.gz ANTNJTKUIJMZBM-MPBYMUCOSA-N 0 0 573.469 5.343 40 10 KKCBRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000100268839 554268646 /nfs/dbraw/zinc/26/86/46/554268646.db2.gz PSEGZOWOPQRSIS-HAHDFKILSA-N 0 0 571.474 6.217 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000100275956 554272465 /nfs/dbraw/zinc/27/24/65/554272465.db2.gz QIFBNMIPNMLWLN-YSMPRRRNSA-N 0 0 531.008 5.852 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cccc(Cl)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038203863 554274362 /nfs/dbraw/zinc/27/43/62/554274362.db2.gz SZZREXPBJCUKKT-YETBJYGFSA-N 0 0 513.085 6.909 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S)c1ccccc1 ZINC000040939896 554291650 /nfs/dbraw/zinc/29/16/50/554291650.db2.gz RXPCFTVVSMNZHX-CIAFOILYSA-N 0 0 515.443 6.119 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cn(-c3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000100302440 554291999 /nfs/dbraw/zinc/29/19/99/554291999.db2.gz VGMTYCPNTKEAIO-JCMHNJIXSA-N 0 0 534.468 6.891 40 10 KKCBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)o1 ZINC000041076723 554292199 /nfs/dbraw/zinc/29/21/99/554292199.db2.gz OVDPJXNELGMPRV-OSZNWEDFSA-N 0 0 503.565 5.673 40 10 KKCBRN Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O ZINC000041077640 554292936 /nfs/dbraw/zinc/29/29/36/554292936.db2.gz NHPUIYWNSXAXRR-ZHZULCJRSA-N 0 0 508.459 5.063 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000041084213 554294424 /nfs/dbraw/zinc/29/44/24/554294424.db2.gz QCEPUNRGKVBGNM-JTTMBOACSA-N 0 0 520.618 5.400 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000100319879 554304549 /nfs/dbraw/zinc/30/45/49/554304549.db2.gz DIKMSEGYGDLRGQ-MYYYXRDXSA-N 0 0 527.418 6.996 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000100323701 554307612 /nfs/dbraw/zinc/30/76/12/554307612.db2.gz QXVUMDPYUFGBMP-LPYMAVHISA-N 0 0 591.467 6.419 40 10 KKCBRN COc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000100332791 554315098 /nfs/dbraw/zinc/31/50/98/554315098.db2.gz XLWXYZWHWHJRFX-YTTGMZPUSA-N 0 0 538.692 6.008 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000100332895 554315436 /nfs/dbraw/zinc/31/54/36/554315436.db2.gz XTUYSNJCMFALRU-XIFFEERXSA-N 0 0 566.702 5.724 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 ZINC000100340935 554325400 /nfs/dbraw/zinc/32/54/00/554325400.db2.gz UQHVMFPLUZZSHV-UDWIEESQSA-N 0 0 540.353 5.869 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100341647 554326280 /nfs/dbraw/zinc/32/62/80/554326280.db2.gz YDHIXUOBWCHTSP-WPWMEQJKSA-N 0 0 606.563 7.994 40 10 KKCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000100357130 554337774 /nfs/dbraw/zinc/33/77/74/554337774.db2.gz RPOYLKBUDPMLRU-SANMLTNESA-N 0 0 541.570 5.582 40 10 KKCBRN O=C(Nc1ccc(N=Nc2ccc([N+](=O)[N-]c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000100368332 554354475 /nfs/dbraw/zinc/35/44/75/554354475.db2.gz WEEJEQGCJULCFK-HSXOZYESSA-N 0 0 540.583 8.532 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000100369109 554355216 /nfs/dbraw/zinc/35/52/16/554355216.db2.gz VHRPAHVLOGQNSK-KEBDBYFISA-N 0 0 553.901 8.112 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369583 554355576 /nfs/dbraw/zinc/35/55/76/554355576.db2.gz VJAXOMCABREHHH-CIAFOILYSA-N 0 0 532.590 7.479 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000100369723 554355804 /nfs/dbraw/zinc/35/58/04/554355804.db2.gz NPYLNVJVHYXZPM-UDWIEESQSA-N 0 0 519.456 7.459 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369785 554355850 /nfs/dbraw/zinc/35/58/50/554355850.db2.gz XZKLDSPCUPZNBJ-SRZZPIQSSA-N 0 0 533.483 7.767 40 10 KKCBRN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1 ZINC000100380198 554362002 /nfs/dbraw/zinc/36/20/02/554362002.db2.gz JQVJPZQNAOEKEC-UHFFFAOYSA-N 0 0 532.666 6.265 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)cc1 ZINC000100382193 554363833 /nfs/dbraw/zinc/36/38/33/554363833.db2.gz VWLFFBLIJBTZSF-UHFFFAOYSA-N 0 0 550.684 7.047 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058846093 554365951 /nfs/dbraw/zinc/36/59/51/554365951.db2.gz UHLIEUFWPFPQJF-VVZHRXSXSA-N 0 0 509.469 6.639 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846824 554366521 /nfs/dbraw/zinc/36/65/21/554366521.db2.gz ULMGALOJEMLMII-CTVOUCONSA-N 0 0 504.652 6.455 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847231 554366817 /nfs/dbraw/zinc/36/68/17/554366817.db2.gz LIRGDSZCLIJZIB-XLNZFTOWSA-N 0 0 515.860 6.730 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847763 554367017 /nfs/dbraw/zinc/36/70/17/554367017.db2.gz OIIAACYLPKSRBA-SRGWNRLKSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847719 554367059 /nfs/dbraw/zinc/36/70/59/554367059.db2.gz BCVITVHKVHZQOK-ATLLOTDBSA-N 0 0 501.435 6.629 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847649 554367102 /nfs/dbraw/zinc/36/71/02/554367102.db2.gz PLNTUDKMHIZJPR-DXMSMQRWSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848042 554367348 /nfs/dbraw/zinc/36/73/48/554367348.db2.gz SSWUPLDJNRCPLW-ISCCLHIJSA-N 0 0 511.043 6.293 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848378 554367782 /nfs/dbraw/zinc/36/77/82/554367782.db2.gz APSUUSZYJFLGRJ-YZUZCNPQSA-N 0 0 504.961 6.986 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848391 554367956 /nfs/dbraw/zinc/36/79/56/554367956.db2.gz FWJNDYMWZZSEHY-PPJWLVRDSA-N 0 0 514.569 6.731 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848385 554368167 /nfs/dbraw/zinc/36/81/67/554368167.db2.gz XLQYIRNPEFYXMR-SGIRGMQISA-N 0 0 500.542 6.341 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000058849134 554368308 /nfs/dbraw/zinc/36/83/08/554368308.db2.gz UBMYSEGYEYWGIH-VKIDHGPPSA-N 0 0 506.624 5.730 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c(OC)c1 ZINC000058849315 554368800 /nfs/dbraw/zinc/36/88/00/554368800.db2.gz UKZSENZSAAUEDD-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849180 554368888 /nfs/dbraw/zinc/36/88/88/554368888.db2.gz HBFJBERWZKXWGS-ASHZAFPQSA-N 0 0 521.595 5.629 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1Cl ZINC000058850259 554369682 /nfs/dbraw/zinc/36/96/82/554369682.db2.gz SZPYBEAPHYOGMW-ATLLOTDBSA-N 0 0 503.426 7.068 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850255 554369822 /nfs/dbraw/zinc/36/98/22/554369822.db2.gz BGPCMRRIZAXWFU-ATLLOTDBSA-N 0 0 503.426 7.068 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850242 554369870 /nfs/dbraw/zinc/36/98/70/554369870.db2.gz OQCMDFJATLHDGW-GLDPYIMESA-N 0 0 515.860 6.730 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1OCC ZINC000058884092 554371214 /nfs/dbraw/zinc/37/12/14/554371214.db2.gz BERLICRLZWHXNV-MOSHPQCFSA-N 0 0 500.389 5.514 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100410421 554375305 /nfs/dbraw/zinc/37/53/05/554375305.db2.gz BCHVOALRQMOHQG-SRZZPIQSSA-N 0 0 568.411 7.592 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139073 554382906 /nfs/dbraw/zinc/38/29/06/554382906.db2.gz XLXHTBLSIADNPX-XQNSMLJCSA-N 0 0 517.368 7.145 40 10 KKCBRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000059176504 554383894 /nfs/dbraw/zinc/38/38/94/554383894.db2.gz BCSPVMSEIKYTGE-QVIHXGFCSA-N 0 0 500.628 6.640 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331436 554388668 /nfs/dbraw/zinc/38/86/68/554388668.db2.gz JACYPDMJZLLZTA-UHFFFAOYSA-N 0 0 523.014 5.596 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059418119 554393789 /nfs/dbraw/zinc/39/37/89/554393789.db2.gz OHACMYLDTSQGAZ-YDZHTSKRSA-N 0 0 500.016 6.863 40 10 KKCBRN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1CCCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000100463531 554397735 /nfs/dbraw/zinc/39/77/35/554397735.db2.gz KAJVJZHJSHEZBY-YHARCJFQSA-N 0 0 556.756 5.761 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100475387 554400630 /nfs/dbraw/zinc/40/06/30/554400630.db2.gz ZGHJIQIYNZQVEF-FBHDLOMBSA-N 0 0 521.532 5.124 40 10 KKCBRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100483414 554402104 /nfs/dbraw/zinc/40/21/04/554402104.db2.gz CURMYKJJEFNYNO-UHFFFAOYSA-N 0 0 583.135 5.004 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)SC2=S)cc1 ZINC000059609068 554412225 /nfs/dbraw/zinc/41/22/25/554412225.db2.gz JZPVNDGCCDRDLI-QRVIBDJDSA-N 0 0 527.023 6.237 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000100696565 554451066 /nfs/dbraw/zinc/45/10/66/554451066.db2.gz ZZONCBUECLLPHQ-NJYVYQBISA-N 0 0 526.759 5.342 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)SC2=S)cc1 ZINC000100967566 554543315 /nfs/dbraw/zinc/54/33/15/554543315.db2.gz OQKLFWKWCKCDSA-UCQKPKSFSA-N 0 0 557.478 6.580 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000101005982 554553963 /nfs/dbraw/zinc/55/39/63/554553963.db2.gz JEXFISCPFGADNL-STZFKDTASA-N 0 0 605.685 6.159 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000101005890 554553984 /nfs/dbraw/zinc/55/39/84/554553984.db2.gz BRINFGBOYCMMAD-XLNRJJMWSA-N 0 0 540.663 5.050 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000101005972 554554000 /nfs/dbraw/zinc/55/40/00/554554000.db2.gz DSYHQMJPMLCZBU-JCMHNJIXSA-N 0 0 551.715 5.449 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/c4ccc5c(c4)OCO5)SC3=S)s2)c1 ZINC000101006185 554554178 /nfs/dbraw/zinc/55/41/78/554554178.db2.gz XOYSLXRSNOBRTA-XKZIYDEJSA-N 0 0 537.688 5.391 40 10 KKCBRN Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000101006517 554554207 /nfs/dbraw/zinc/55/42/07/554554207.db2.gz YEADFYIRBAIJGI-NKFKGCMQSA-N 0 0 534.707 5.193 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000101006767 554554363 /nfs/dbraw/zinc/55/43/63/554554363.db2.gz RGQHOKAHHUVETN-MEFGMAGPSA-N 0 0 530.715 6.690 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)s1 ZINC000101006860 554554558 /nfs/dbraw/zinc/55/45/58/554554558.db2.gz JJPHLFNVTTWKDD-CYVLTUHYSA-N 0 0 534.729 5.298 40 10 KKCBRN CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000101006826 554554595 /nfs/dbraw/zinc/55/45/95/554554595.db2.gz COMYNIGVSBSFDK-QJOMJCCJSA-N 0 0 542.679 5.281 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(F)(F)F ZINC000101006973 554554623 /nfs/dbraw/zinc/55/46/23/554554623.db2.gz IBWAZIMLWVYNPB-MOSHPQCFSA-N 0 0 522.570 5.834 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000101007141 554554963 /nfs/dbraw/zinc/55/49/63/554554963.db2.gz GSKLPAZKBLGHHC-QOMWVZHYSA-N 0 0 544.698 6.541 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000101007226 554555198 /nfs/dbraw/zinc/55/51/98/554555198.db2.gz QTDOGACRYOKDFF-XHPQRKPJSA-N 0 0 574.749 7.064 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000101007485 554555445 /nfs/dbraw/zinc/55/54/45/554555445.db2.gz PHYHFYLAIYTSTR-NTEUORMPSA-N 0 0 609.159 6.187 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(I)c2)C1=O ZINC000101007844 554555929 /nfs/dbraw/zinc/55/59/29/554555929.db2.gz CFNLBQKRYNPEKB-RZTVDGLLSA-N 0 0 520.417 5.077 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101008297 554556623 /nfs/dbraw/zinc/55/66/23/554556623.db2.gz MACDDMIUBMERTI-DEDYPNTBSA-N 0 0 582.094 7.026 40 10 KKCBRN O=C1/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)SC(=S)N1c1ccc(Br)cc1 ZINC000101016148 554560136 /nfs/dbraw/zinc/56/01/36/554560136.db2.gz ARHIBAHQFUCEAQ-BUHFOSPRSA-N 0 0 572.350 5.853 40 10 KKCBRN CC(C)OC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OC(C)C)cc4)C3=O)SC2=S)cc1 ZINC000101016980 554560606 /nfs/dbraw/zinc/56/06/06/554560606.db2.gz APNUTUZZENOYMN-FMQUCBEESA-N 0 0 586.738 5.458 40 10 KKCBRN CC[C@@H](C)NC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)N[C@@H](C)CC)c4)C3=O)SC2=S)c1 ZINC000101017025 554560791 /nfs/dbraw/zinc/56/07/91/554560791.db2.gz NLBNAVJNLSKWMM-COOONAJRSA-N 0 0 612.824 5.384 40 10 KKCBRN CCCCOC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCCCC)c4)C3=O)SC2=S)c1 ZINC000101017010 554560796 /nfs/dbraw/zinc/56/07/96/554560796.db2.gz YNBKSGPWMVVWQI-QURGRASLSA-N 0 0 614.792 6.242 40 10 KKCBRN CN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000101095139 554584188 /nfs/dbraw/zinc/58/41/88/554584188.db2.gz JFCWTELRCRWFFG-OQLLNIDSSA-N 0 0 593.249 5.306 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2C=C(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)N(c3ccccc3)N2)cc1 ZINC000101461919 554778619 /nfs/dbraw/zinc/77/86/19/554778619.db2.gz OPZGMIUIFBAXEI-YTTGMZPUSA-N 0 0 561.689 7.545 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)Nc1cccc2ccccc21 ZINC000101549644 554796482 /nfs/dbraw/zinc/79/64/82/554796482.db2.gz CYSHCRXPQUZJMK-WYMPLXKRSA-N 0 0 585.545 6.486 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)NCc3ccccc3)cc2Br)SC1=S ZINC000101568120 554797673 /nfs/dbraw/zinc/79/76/73/554797673.db2.gz HERIGEQEFWFZBD-MTJSOVHGSA-N 0 0 549.512 5.154 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000101568079 554797682 /nfs/dbraw/zinc/79/76/82/554797682.db2.gz INHZPVFNFCRCJT-FBHDLOMBSA-N 0 0 549.512 5.010 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)Nc4ccc(OCC)cc4)c(OC)c3)C2=O)cc1 ZINC000101575329 554798723 /nfs/dbraw/zinc/79/87/23/554798723.db2.gz OYFWSELOAZPFEN-YZSQISJMSA-N 0 0 557.603 5.094 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)Nc4ccc(OCC)cc4)c(OCC)c3)C2=O)cc1 ZINC000101575852 554799156 /nfs/dbraw/zinc/79/91/56/554799156.db2.gz WFPIKUYXWXJPDM-OVVQPSECSA-N 0 0 571.630 5.484 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590364 554802557 /nfs/dbraw/zinc/80/25/57/554802557.db2.gz WOTFNLWOXQSANK-JFHPUIQFSA-N 0 0 607.584 6.947 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101598116 554803613 /nfs/dbraw/zinc/80/36/13/554803613.db2.gz MSOISGVNYRETKW-ILJQZKEFSA-N 0 0 618.483 6.691 40 10 KKCBRN CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)cc2OC)cc1 ZINC000101620641 554809259 /nfs/dbraw/zinc/80/92/59/554809259.db2.gz CIEXEHIYCHFCGQ-IWIPYMOSSA-N 0 0 592.446 5.458 40 10 KKCBRN COC(=O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000101741110 554834253 /nfs/dbraw/zinc/83/42/53/554834253.db2.gz IPZHYZIKARJGIN-WOJGMQOQSA-N 0 0 526.861 5.446 40 10 KKCBRN O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1ccccc1Cl ZINC000101743833 554834283 /nfs/dbraw/zinc/83/42/83/554834283.db2.gz JVYHKCUNRDNEOB-MRCUWXFGSA-N 0 0 540.453 5.457 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S)c1ccc(Cl)cc1 ZINC000101744906 554834603 /nfs/dbraw/zinc/83/46/03/554834603.db2.gz BQPVSXPKUDLNHE-BKUYFWCQSA-N 0 0 559.894 6.228 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCCOc4ccc(C5CCCCC5)cc4)c3)SC2=S)cc1 ZINC000102445782 554930535 /nfs/dbraw/zinc/93/05/35/554930535.db2.gz HODIVZNMPSIEPV-SWKFRHMKSA-N 0 0 559.753 7.997 40 10 KKCBRN N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CCCCC4)nn23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000102470736 554936370 /nfs/dbraw/zinc/93/63/70/554936370.db2.gz LUTSSAGQZNZNIP-GCVWQMARSA-N 0 0 536.686 6.810 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102553494 554963109 /nfs/dbraw/zinc/96/31/09/554963109.db2.gz FNNMFLIMTWLGAZ-RTOKGZNSSA-N 0 0 590.075 7.064 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102555764 554964343 /nfs/dbraw/zinc/96/43/43/554964343.db2.gz MQMLLOQHGVVIBT-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102558169 554965579 /nfs/dbraw/zinc/96/55/79/554965579.db2.gz JDFZMWFGEAHRTK-NGDRWEMDSA-N 0 0 606.074 6.682 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102559667 554967231 /nfs/dbraw/zinc/96/72/31/554967231.db2.gz DDNLMDFNYKTXIQ-IDZRBWSNSA-N 0 0 564.468 7.618 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102563599 554969107 /nfs/dbraw/zinc/96/91/07/554969107.db2.gz QAWFPNSXOFUKCF-WRVRXEDSSA-N 0 0 571.648 7.274 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102869653 555099144 /nfs/dbraw/zinc/09/91/44/555099144.db2.gz RTFOKEKRKGDUTN-RTOKGZNSSA-N 0 0 555.630 6.329 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102870285 555100458 /nfs/dbraw/zinc/10/04/58/555100458.db2.gz IHQANAKBSOKMFV-RTOKGZNSSA-N 0 0 573.620 6.549 40 10 KKCBRN COc1cc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000102870500 555100771 /nfs/dbraw/zinc/10/07/71/555100771.db2.gz DKXOUUMGFBGWDC-ULNSLHSMSA-N 0 0 577.658 6.090 40 10 KKCBRN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102884366 555113209 /nfs/dbraw/zinc/11/32/09/555113209.db2.gz OTYVMMHLQXOOCP-SSBOKUKZSA-N 0 0 551.976 6.935 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102896243 555135969 /nfs/dbraw/zinc/13/59/69/555135969.db2.gz PGLFHICTDWKIDL-PVHODMMVSA-N 0 0 600.509 6.515 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(F)cc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102896451 555136579 /nfs/dbraw/zinc/13/65/79/555136579.db2.gz WYJSMSJYDNKOML-AYQJTBPPSA-N 0 0 578.039 7.194 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102897205 555137591 /nfs/dbraw/zinc/13/75/91/555137591.db2.gz ZWCJBOSXMCIJKY-IDZRBWSNSA-N 0 0 608.463 6.913 40 10 KKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC000102958009 555174481 /nfs/dbraw/zinc/17/44/81/555174481.db2.gz WARNRTSRGNJRGH-JWWJQFKRSA-N 0 0 524.646 7.111 40 10 KKCBRN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060541 555241801 /nfs/dbraw/zinc/24/18/01/555241801.db2.gz QDRHTFDQEJVLLQ-ASFOCJHKSA-N 0 0 576.737 7.016 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103524483 555427912 /nfs/dbraw/zinc/42/79/12/555427912.db2.gz OSFLPLNXNKVLGX-ZQPSKXNCSA-N 0 0 541.047 5.937 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103526849 555428677 /nfs/dbraw/zinc/42/86/77/555428677.db2.gz CHMUOQMVGICWDK-IDZRBWSNSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103528933 555429654 /nfs/dbraw/zinc/42/96/54/555429654.db2.gz QISJYVJCFSLULK-IDZRBWSNSA-N 0 0 547.557 6.290 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103531741 555431906 /nfs/dbraw/zinc/43/19/06/555431906.db2.gz YWMRJEJVZJAGEJ-NGDRWEMDSA-N 0 0 529.567 6.151 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103541276 555438348 /nfs/dbraw/zinc/43/83/48/555438348.db2.gz CGJABXVVKWJQAL-KYXFPJSOSA-N 0 0 562.710 6.482 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103552376 555444401 /nfs/dbraw/zinc/44/44/01/555444401.db2.gz JVNQGQYQKTUPDG-KCHLEUMXSA-N 0 0 565.666 6.069 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103552381 555444463 /nfs/dbraw/zinc/44/44/63/555444463.db2.gz JVNQGQYQKTUPDG-PKTNWEFCSA-N 0 0 565.666 6.069 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 ZINC000103552505 555444518 /nfs/dbraw/zinc/44/45/18/555444518.db2.gz SBZOPAIQZLMSAG-IDZRBWSNSA-N 0 0 540.575 6.220 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c(Br)c(Br)c1O ZINC000103564033 555450231 /nfs/dbraw/zinc/45/02/31/555450231.db2.gz AUOPFBLIANZFJN-MLPAPPSSSA-N 0 0 532.641 5.970 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000103748330 555466994 /nfs/dbraw/zinc/46/69/94/555466994.db2.gz KYJYGOODLBYRRX-YZSQISJMSA-N 0 0 539.975 6.670 40 10 KKCBRN CCCOc1c(I)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000103760411 555471025 /nfs/dbraw/zinc/47/10/25/555471025.db2.gz VJKYADQEUFZRNE-UHFFFAOYSA-N 0 0 626.516 6.454 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC ZINC000103760371 555471052 /nfs/dbraw/zinc/47/10/52/555471052.db2.gz ARAMXRWCXWSNAV-UHFFFAOYSA-N 0 0 565.489 6.222 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000103760408 555471113 /nfs/dbraw/zinc/47/11/13/555471113.db2.gz BLIPEZOGAWISBL-UHFFFAOYSA-N 0 0 579.516 6.612 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103789216 555479099 /nfs/dbraw/zinc/47/90/99/555479099.db2.gz ZPKXYBFYARVFBD-FCKOQQNDSA-N 0 0 586.035 5.402 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c1C)CCCC2 ZINC000103855108 571365915 /nfs/dbraw/zinc/36/59/15/571365915.db2.gz SMVOYWDXPPJPCA-VFCFBJKWSA-N 0 0 607.732 7.103 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1Cl ZINC000103855499 571366043 /nfs/dbraw/zinc/36/60/43/571366043.db2.gz XTQBFWJEUAOBGY-JJIBRWJFSA-N 0 0 540.959 6.278 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856211 571366116 /nfs/dbraw/zinc/36/61/16/571366116.db2.gz JECMLXWRONJTGW-UHFFFAOYSA-N 0 0 574.294 5.543 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103855660 571366154 /nfs/dbraw/zinc/36/61/54/571366154.db2.gz KCPNRUVTGRPOGY-UHFFFAOYSA-N 0 0 558.281 5.332 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000103857172 571366303 /nfs/dbraw/zinc/36/63/03/571366303.db2.gz FAORSIZXDDJZBG-UHFFFAOYSA-N 0 0 586.451 5.021 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)cc1 ZINC000103865462 571367973 /nfs/dbraw/zinc/36/79/73/571367973.db2.gz UFTFCSMSNXDQSI-GJKZIJEQSA-N 0 0 580.754 5.346 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(Cl)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000103913767 571369608 /nfs/dbraw/zinc/36/96/08/571369608.db2.gz MAMWCTVIOYUAIZ-DBHVVYFFSA-N 0 0 612.582 7.042 40 10 KKCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000103919401 571369723 /nfs/dbraw/zinc/36/97/23/571369723.db2.gz QFLUXSYLPWZPTO-ONUIUJJFSA-N 0 0 527.606 5.700 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4nc5ccccc5s4)N=C3c3ccccc3)cc2)cc1 ZINC000103920369 571369732 /nfs/dbraw/zinc/36/97/32/571369732.db2.gz BTACNIAJWOITCQ-RRAHZORUSA-N 0 0 531.641 7.186 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104018457 571371367 /nfs/dbraw/zinc/37/13/67/571371367.db2.gz ZGECGQVULOQQRI-ANJBIJILSA-N 0 0 572.617 5.518 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000104113684 571374150 /nfs/dbraw/zinc/37/41/50/571374150.db2.gz IRNMWEAMGGIWEC-LSMIHOHGSA-N 0 0 527.536 5.400 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000104133388 571374622 /nfs/dbraw/zinc/37/46/22/571374622.db2.gz HYCAFJLLIJRWQJ-TWLDFKIOSA-N 0 0 547.010 6.154 40 10 KKCBRN CCn1c2ccccc2c2cc(N)c(/N=N/c3cc(OC)c(/N=N\c4ccc([N+](=O)[O-])cc4)cc3OC)cc21 ZINC000104202912 571376888 /nfs/dbraw/zinc/37/68/88/571376888.db2.gz YYYCHOOQNHOCKU-QTDLIUEZSA-N 0 0 523.553 8.153 40 10 KKCBRN CCn1c2ccccc2c2cc(N)c(/N=N\c3cc(OC)c(/N=N\c4ccc([N+](=O)[O-])cc4)cc3OC)cc21 ZINC000104202909 571376889 /nfs/dbraw/zinc/37/68/89/571376889.db2.gz YYYCHOOQNHOCKU-UOALMSBLSA-N 0 0 523.553 8.153 40 10 KKCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000222627065 571377935 /nfs/dbraw/zinc/37/79/35/571377935.db2.gz PRZHCXIPYAIJMA-AWEZNQCLSA-N 0 0 540.498 5.127 40 10 KKCBRN CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000104296790 571378562 /nfs/dbraw/zinc/37/85/62/571378562.db2.gz GBUUMLWMJWBECT-KXYMVQBMSA-N 0 0 564.045 8.354 40 10 KKCBRN CCNc1ccc(/N=N\c2ccc(-c3ccc(/N=N\c4ccc(NCC)c5ccccc45)c(OC)c3)cc2OC)c2ccccc12 ZINC000104366619 571379561 /nfs/dbraw/zinc/37/95/61/571379561.db2.gz YJLOGHHCCZQTBR-SHLALKERSA-N 0 0 608.746 11.372 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(Cc5ccc(Cl)cc5)S(C)(=O)=O)ccc4s3)CC2)cc1 ZINC000104403731 571380193 /nfs/dbraw/zinc/38/01/93/571380193.db2.gz ACNGOJAIEQZBHY-UHFFFAOYSA-N 0 0 570.136 5.492 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646589 571381908 /nfs/dbraw/zinc/38/19/08/571381908.db2.gz RLPZYBUBUCWAAP-SRGWNRLKSA-N 0 0 516.406 6.529 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104646195 571381911 /nfs/dbraw/zinc/38/19/11/571381911.db2.gz XROJDAIMHAIPHO-BEJSXWRTSA-N 0 0 595.721 7.925 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646760 571381986 /nfs/dbraw/zinc/38/19/86/571381986.db2.gz XNNVQOQZDDKIFX-ATLLOTDBSA-N 0 0 559.869 6.459 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2[C@H]2C=CC[C@H]21 ZINC000104646454 571381988 /nfs/dbraw/zinc/38/19/88/571381988.db2.gz ONHGNUYLLNFMAH-ATLLOTDBSA-N 0 0 529.431 6.224 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646319 571381994 /nfs/dbraw/zinc/38/19/94/571381994.db2.gz JCDVTMQLEKUHGO-PVTPYKNESA-N 0 0 523.614 6.889 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646109 571382001 /nfs/dbraw/zinc/38/20/01/571382001.db2.gz YISJIMLEPFFZMA-XXAUWVGASA-N 0 0 539.495 6.702 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647404 571382229 /nfs/dbraw/zinc/38/22/29/571382229.db2.gz GNNLPSQLGQDYIQ-YZUZCNPQSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646925 571382100 /nfs/dbraw/zinc/38/21/00/571382100.db2.gz RBZSLXCCHNZIDS-DFXHWTJYSA-N 0 0 531.461 6.638 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647192 571382103 /nfs/dbraw/zinc/38/21/03/571382103.db2.gz WKNVJJJKGVEZCH-OREGWCPLSA-N 0 0 527.517 7.918 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647293 571382184 /nfs/dbraw/zinc/38/21/84/571382184.db2.gz VEAXRMCRSHHHRG-WZOHSFFVSA-N 0 0 529.445 6.407 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647657 571382321 /nfs/dbraw/zinc/38/23/21/571382321.db2.gz JEBLLXFPHQLDNP-CEYNDMKZSA-N 0 0 519.881 7.583 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647832 571382353 /nfs/dbraw/zinc/38/23/53/571382353.db2.gz ZBVYKORZBLMJKK-FYQCMVGJSA-N 0 0 541.069 6.302 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647723 571382361 /nfs/dbraw/zinc/38/23/61/571382361.db2.gz UGHZCKSCIPJOTM-OUDXUNEISA-N 0 0 526.014 6.193 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647583 571382369 /nfs/dbraw/zinc/38/23/69/571382369.db2.gz SDPNAKLBWFKTDV-ASHZAFPQSA-N 0 0 541.069 6.302 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648446 571382633 /nfs/dbraw/zinc/38/26/33/571382633.db2.gz LORJOKSDFSFVAZ-LZCXECNNSA-N 0 0 530.568 6.350 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648733 571382666 /nfs/dbraw/zinc/38/26/66/571382666.db2.gz PYPBIEBTNQHUSS-ATLLOTDBSA-N 0 0 613.883 7.757 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)c(OC)c1 ZINC000104649495 571382982 /nfs/dbraw/zinc/38/29/82/571382982.db2.gz XIWYLZNTPBXPLT-BALWLHIASA-N 0 0 552.649 5.357 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649514 571383030 /nfs/dbraw/zinc/38/30/30/571383030.db2.gz RLYATAFUASTUAK-DDFCPOBKSA-N 0 0 550.677 6.129 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1OC ZINC000104649674 571383054 /nfs/dbraw/zinc/38/30/54/571383054.db2.gz FISMJMVCBHUHLB-DFXHWTJYSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104650264 571383305 /nfs/dbraw/zinc/38/33/05/571383305.db2.gz ZTZWLDNEUFKTJJ-FVBCXUTKSA-N 0 0 542.657 6.493 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650548 571383325 /nfs/dbraw/zinc/38/33/25/571383325.db2.gz GQUZTUYBSKBYGW-ANSQWYIGSA-N 0 0 525.468 6.475 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)sc2=N1 ZINC000104677103 571385303 /nfs/dbraw/zinc/38/53/03/571385303.db2.gz DRJSMCUHPUSCHT-WOSHRIRTSA-N 0 0 602.200 6.763 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000104677085 571385348 /nfs/dbraw/zinc/38/53/48/571385348.db2.gz SUKJVTHVVGERQP-HVDVVURSSA-N 0 0 585.745 6.249 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000104857423 571386836 /nfs/dbraw/zinc/38/68/36/571386836.db2.gz PMNKACCZACABPC-GIDUJCDVSA-N 0 0 552.242 5.674 40 10 KKCBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000105305449 571393659 /nfs/dbraw/zinc/39/36/59/571393659.db2.gz RLMMAWSETMTNFL-UHFFFAOYSA-N 0 0 582.701 6.231 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000105308245 571395008 /nfs/dbraw/zinc/39/50/08/571395008.db2.gz LLRCQHNKGYTUIR-UHFFFAOYSA-N 0 0 529.832 7.265 40 10 KKCBRN COC(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccc(NC(=O)c4ccc(C(=O)OC)cc4)cc3)cc2)cc1 ZINC000105407863 571404696 /nfs/dbraw/zinc/40/46/96/571404696.db2.gz ZXDFVCBBZJTHSC-JEIPZWNWSA-N 0 0 536.544 6.180 40 10 KKCBRN O=C1C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000105455350 571404880 /nfs/dbraw/zinc/40/48/80/571404880.db2.gz LJFZLVXHFAWCRW-UHFFFAOYSA-N 0 0 576.415 6.300 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000105498797 571405974 /nfs/dbraw/zinc/40/59/74/571405974.db2.gz IMGZYJGJJJEADD-AZJUONQGSA-N 0 0 603.744 5.881 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000105500739 571406522 /nfs/dbraw/zinc/40/65/22/571406522.db2.gz BQUQFZOGGBDRPO-AYKFIEGGSA-N 0 0 573.718 5.873 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000105516192 571407062 /nfs/dbraw/zinc/40/70/62/571407062.db2.gz UHNGONMAHWHSNJ-LXYLXTGBSA-N 0 0 596.536 5.521 40 10 KKCBRN O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000105669155 571408145 /nfs/dbraw/zinc/40/81/45/571408145.db2.gz WONCNDJUXZQSFK-DNTJNYDQSA-N 0 0 541.950 5.781 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105668682 571408173 /nfs/dbraw/zinc/40/81/73/571408173.db2.gz NYTFKXIMZRLMNM-LPYMAVHISA-N 0 0 541.006 6.272 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000105669113 571408215 /nfs/dbraw/zinc/40/82/15/571408215.db2.gz ZMAQFXFOWXGWNT-HYARGMPZSA-N 0 0 529.561 6.729 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000105669389 571408299 /nfs/dbraw/zinc/40/82/99/571408299.db2.gz FNHYMMQFEIMSNP-KEBDBYFISA-N 0 0 513.940 6.355 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106688325 571413897 /nfs/dbraw/zinc/41/38/97/571413897.db2.gz HRFGRWXVBWWARM-MYYYXRDXSA-N 0 0 517.448 7.246 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106690229 571414008 /nfs/dbraw/zinc/41/40/08/571414008.db2.gz VBJGFZXKMRBDGL-QFEZKATASA-N 0 0 542.488 6.474 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106695994 571414089 /nfs/dbraw/zinc/41/40/89/571414089.db2.gz SVTQAEUTEJVUNI-UUYOSTAYSA-N 0 0 513.432 6.849 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000106699363 571414416 /nfs/dbraw/zinc/41/44/16/571414416.db2.gz LTKYHINPGUMPHC-QFEZKATASA-N 0 0 586.939 6.583 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106716415 571415464 /nfs/dbraw/zinc/41/54/64/571415464.db2.gz VJKUWADJGMXKEM-JJFYIABZSA-N 0 0 564.332 8.017 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106716035 571415534 /nfs/dbraw/zinc/41/55/34/571415534.db2.gz VQGOMXBTMJGNCJ-MXAYSNPKSA-N 0 0 571.486 7.146 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106717850 571415609 /nfs/dbraw/zinc/41/56/09/571415609.db2.gz GRBLJDHRXOKHDR-FBHDLOMBSA-N 0 0 525.379 7.656 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000106722989 571416054 /nfs/dbraw/zinc/41/60/54/571416054.db2.gz BLCOADXEZJMKHK-UCQKPKSFSA-N 0 0 539.451 6.270 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106732305 571416580 /nfs/dbraw/zinc/41/65/80/571416580.db2.gz VBDJFJGJSZCMOL-YSMPRRRNSA-N 0 0 595.519 6.992 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739529 571417203 /nfs/dbraw/zinc/41/72/03/571417203.db2.gz NNTMIQAVNDSQKX-ZJDVKXNCSA-N 0 0 529.361 7.259 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106764011 571418112 /nfs/dbraw/zinc/41/81/12/571418112.db2.gz FPDQNWUUEFNHHP-HAHDFKILSA-N 0 0 525.468 6.589 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223104321 571431687 /nfs/dbraw/zinc/43/16/87/571431687.db2.gz PGCSAIAVHUVFLX-FTJBHMTQSA-N 0 0 505.644 5.711 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000111494358 571433349 /nfs/dbraw/zinc/43/33/49/571433349.db2.gz OOELXNVSPOIVIY-VILXJFMTSA-N 0 0 617.771 6.272 40 10 KKCBRN O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000112244966 571435609 /nfs/dbraw/zinc/43/56/09/571435609.db2.gz KJTUKWROWJJLEQ-SIYAZZHDSA-N 0 0 575.477 8.085 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144807 571436019 /nfs/dbraw/zinc/43/60/19/571436019.db2.gz BSUDRKPMPQWONY-LOSJGSFVSA-N 0 0 530.525 5.101 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000113624436 571441333 /nfs/dbraw/zinc/44/13/33/571441333.db2.gz XLOOADJFCZWBGM-UHFFFAOYSA-N 0 0 588.173 6.964 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180703 571441531 /nfs/dbraw/zinc/44/15/31/571441531.db2.gz KCHGYXQMAMKFGS-LOYHVIPDSA-N 0 0 525.722 5.337 40 10 KKCBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000113635158 571442086 /nfs/dbraw/zinc/44/20/86/571442086.db2.gz MDBIPUMHXDERDO-UHFFFAOYSA-N 0 0 542.101 5.159 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000113830428 571442244 /nfs/dbraw/zinc/44/22/44/571442244.db2.gz JUSWMNHIANWDOP-RIYZIHGNSA-N 0 0 585.270 5.438 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113830846 571442428 /nfs/dbraw/zinc/44/24/28/571442428.db2.gz NIVGISBFVBZUBP-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCCSc1ccc(C)cc1 ZINC000113830454 571442444 /nfs/dbraw/zinc/44/24/44/571442444.db2.gz HGMQVAXTALXCQE-UHFFFAOYSA-N 0 0 580.731 6.923 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830849 571442447 /nfs/dbraw/zinc/44/24/47/571442447.db2.gz OCQNQGXSZWIOGM-WSDLNYQXSA-N 0 0 508.492 7.115 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000113833221 571442481 /nfs/dbraw/zinc/44/24/81/571442481.db2.gz YNYODGJDULLXPT-FYJGNVAPSA-N 0 0 501.582 5.008 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187498 571442535 /nfs/dbraw/zinc/44/25/35/571442535.db2.gz FUPSFVDUCHBEQM-IHLOFXLRSA-N 0 0 546.785 5.030 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187872 571442590 /nfs/dbraw/zinc/44/25/90/571442590.db2.gz BMNFVOKRINDTCX-UIOOFZCWSA-N 0 0 544.552 5.491 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113834112 571442624 /nfs/dbraw/zinc/44/26/24/571442624.db2.gz WVGPMNDOGJWLFC-OEAKJJBVSA-N 0 0 537.575 5.887 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833988 571442653 /nfs/dbraw/zinc/44/26/53/571442653.db2.gz HIPIPHVMBZDGNK-YDZHTSKRSA-N 0 0 560.575 6.997 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000113833679 571442655 /nfs/dbraw/zinc/44/26/55/571442655.db2.gz QHKKUTUQVSDRQJ-CVKSISIWSA-N 0 0 501.604 6.972 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833416 571442660 /nfs/dbraw/zinc/44/26/60/571442660.db2.gz GMLPJRXYEQDYDQ-WSDLNYQXSA-N 0 0 523.548 5.496 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000113833490 571442687 /nfs/dbraw/zinc/44/26/87/571442687.db2.gz SOHWNPUHKHXLFT-WPWMEQJKSA-N 0 0 513.640 6.842 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834498 571442730 /nfs/dbraw/zinc/44/27/30/571442730.db2.gz OZTCUGRMGANVOF-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000113837440 571442808 /nfs/dbraw/zinc/44/28/08/571442808.db2.gz TXSNYKOPRVSTEL-YBFXNURJSA-N 0 0 511.543 5.452 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)c(C)c1 ZINC000113837959 571442864 /nfs/dbraw/zinc/44/28/64/571442864.db2.gz HECGQNMTIHAVKQ-DHRITJCHSA-N 0 0 523.510 8.019 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189775 571442966 /nfs/dbraw/zinc/44/29/66/571442966.db2.gz NXQNEAFZPARPCH-SXOMAYOGSA-N 0 0 524.134 5.146 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc(/N=N/c6ccccc6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118928997 571447435 /nfs/dbraw/zinc/44/74/35/571447435.db2.gz ZJEHXCIPPYQSCO-MUUDMZLYSA-N 0 0 594.884 11.669 40 10 KKCBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)[C@]12C ZINC000118933531 571447753 /nfs/dbraw/zinc/44/77/53/571447753.db2.gz ONMZIPMOVQAMQO-KOYONZGGSA-N 0 0 566.694 6.414 40 10 KKCBRN CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000147675175 571456814 /nfs/dbraw/zinc/45/68/14/571456814.db2.gz DYBLOCUSGJNSMR-QTTRZTASSA-N 0 0 560.492 5.286 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000223310180 571458986 /nfs/dbraw/zinc/45/89/86/571458986.db2.gz YCSWMEASNRMIPW-ZTCOLXNVSA-N 0 0 511.489 5.403 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(I)c1OCCOc1cc(C)cc(C)c1 ZINC000150345949 571460274 /nfs/dbraw/zinc/46/02/74/571460274.db2.gz OCJOLMZKYKFCPU-PSKVICDDSA-N 0 0 651.526 6.679 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000223323989 571460461 /nfs/dbraw/zinc/46/04/61/571460461.db2.gz SYAYRVYEBNMIHG-GGMSWHNTSA-N 0 0 503.668 5.641 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150362866 571464182 /nfs/dbraw/zinc/46/41/82/571464182.db2.gz VSTXOHMVLGBTOU-DHWZPLKBSA-N 0 0 647.797 5.977 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Br)c3)SC2=S)cc1 ZINC000150369809 571465569 /nfs/dbraw/zinc/46/55/69/571465569.db2.gz KOPQYOYACLFRPW-QRVIBDJDSA-N 0 0 636.374 7.343 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000223385533 571469405 /nfs/dbraw/zinc/46/94/05/571469405.db2.gz GGUSROQZGDSKSB-CLJLJLNGSA-N 0 0 517.496 6.424 40 10 KKCBRN CCn1c2ccccc2c2ccc(N(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)[C@@H](C(=O)NC3CCCC3)c3ccc(O)c(O)c3)cc21 ZINC000150387021 571469708 /nfs/dbraw/zinc/46/97/08/571469708.db2.gz JPBFTXMOURMCRI-UUWRZZSWSA-N 0 0 666.756 5.203 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223390354 571470145 /nfs/dbraw/zinc/47/01/45/571470145.db2.gz LZQLYROPTGOLMI-KAYWLYCHSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391528 571470296 /nfs/dbraw/zinc/47/02/96/571470296.db2.gz PXGAGHPZTXWXLH-RRPNLBNLSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223415131 571473291 /nfs/dbraw/zinc/47/32/91/571473291.db2.gz PGCNOJACWXVZFR-SVBPBHIXSA-N 0 0 519.070 6.029 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223421853 571474150 /nfs/dbraw/zinc/47/41/50/571474150.db2.gz FWFZKUNACUTYDC-RRPNLBNLSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223421599 571474171 /nfs/dbraw/zinc/47/41/71/571474171.db2.gz UZZNAKXEMXKCSQ-RRPNLBNLSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223421543 571474231 /nfs/dbraw/zinc/47/42/31/571474231.db2.gz UZZNAKXEMXKCSQ-SXOMAYOGSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223424835 571474609 /nfs/dbraw/zinc/47/46/09/571474609.db2.gz QEMVUWAPBSVMJN-RRPNLBNLSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223426021 571474743 /nfs/dbraw/zinc/47/47/43/571474743.db2.gz RLICEDWDADUCSQ-IZLXSDGUSA-N 0 0 512.635 5.399 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223427867 571475038 /nfs/dbraw/zinc/47/50/38/571475038.db2.gz QRUCERZVJVECEG-WUFINQPMSA-N 0 0 533.097 6.332 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)c1 ZINC000223444467 571477660 /nfs/dbraw/zinc/47/76/60/571477660.db2.gz QTKUBTJTEWFZQE-VSGBNLITSA-N 0 0 526.662 5.457 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223445150 571477856 /nfs/dbraw/zinc/47/78/56/571477856.db2.gz JZDFJTGJCOOBNS-NSOVKSMOSA-N 0 0 526.662 5.457 40 10 KKCBRN CCCCCOC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCCCCC)c4)C3=O)SC2=S)c1 ZINC000150400596 571477991 /nfs/dbraw/zinc/47/79/91/571477991.db2.gz BCCRJEYEFLNZLB-WCWDXBQESA-N 0 0 642.846 7.022 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1OC ZINC000150442829 571499149 /nfs/dbraw/zinc/49/91/49/571499149.db2.gz SXEDTOKIPSKIRI-SOFYXZRVSA-N 0 0 651.196 5.831 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224118499 571479619 /nfs/dbraw/zinc/47/96/19/571479619.db2.gz HOUFKIORZSIURR-TXAVTFGTSA-N 0 0 655.312 7.639 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000224127432 571481637 /nfs/dbraw/zinc/48/16/37/571481637.db2.gz RTSZBRAPTQPOIG-KVDDGJCQSA-N 0 0 570.206 7.802 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224128876 571482248 /nfs/dbraw/zinc/48/22/48/571482248.db2.gz QLSQHPRVRUCENB-BAVULBIOSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224129903 571482312 /nfs/dbraw/zinc/48/23/12/571482312.db2.gz BIFRWAYSIDXLAL-OTWWGAIPSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224129710 571482369 /nfs/dbraw/zinc/48/23/69/571482369.db2.gz ZEYXAAJQEFTUQO-OTWWGAIPSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224129518 571482436 /nfs/dbraw/zinc/48/24/36/571482436.db2.gz BFLBQNPYUAUWAY-OTWWGAIPSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224130205 571482473 /nfs/dbraw/zinc/48/24/73/571482473.db2.gz LWFCJIHVNVMSPL-WTEHXLFCSA-N 0 0 649.102 8.564 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224131117 571482625 /nfs/dbraw/zinc/48/26/25/571482625.db2.gz ORARJJUQJKGVKI-RZKSXRECSA-N 0 0 600.232 7.811 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224131065 571482688 /nfs/dbraw/zinc/48/26/88/571482688.db2.gz ORARJJUQJKGVKI-HYEYWOLSSA-N 0 0 600.232 7.811 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)SC1=S)Nc1cccc(I)c1 ZINC000150410371 571482903 /nfs/dbraw/zinc/48/29/03/571482903.db2.gz BTVHCZJWLGHKBE-QURGRASLSA-N 0 0 836.562 5.966 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224132473 571482947 /nfs/dbraw/zinc/48/29/47/571482947.db2.gz KHEHUXLAUQWOJY-WADAGNOZSA-N 0 0 613.275 7.868 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224132531 571483056 /nfs/dbraw/zinc/48/30/56/571483056.db2.gz KHEHUXLAUQWOJY-NTQNKHNGSA-N 0 0 613.275 7.868 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224133200 571483128 /nfs/dbraw/zinc/48/31/28/571483128.db2.gz JBXLZHOAKOBGNJ-WFHUPMPSSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224136221 571483725 /nfs/dbraw/zinc/48/37/25/571483725.db2.gz SNKCCSAINRFIQC-UMDBZIIZSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223485094 571485021 /nfs/dbraw/zinc/48/50/21/571485021.db2.gz VZFYGSDHVVGPOT-DQEYMECFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223485043 571485149 /nfs/dbraw/zinc/48/51/49/571485149.db2.gz VZFYGSDHVVGPOT-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000150416282 571485810 /nfs/dbraw/zinc/48/58/10/571485810.db2.gz ZRZQJCAEWNRPQH-OCEACIFDSA-N 0 0 751.000 7.003 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224149018 571486503 /nfs/dbraw/zinc/48/65/03/571486503.db2.gz XUDVFMNTUBMCFE-RZKSXRECSA-N 0 0 628.242 7.589 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224149104 571486513 /nfs/dbraw/zinc/48/65/13/571486513.db2.gz YDGOORLZDKRUAH-LKPJLLJWSA-N 0 0 628.242 7.589 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000150419009 571486807 /nfs/dbraw/zinc/48/68/07/571486807.db2.gz APOJQANMSKARJS-GQFYKFLTSA-N 0 0 668.775 6.934 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)c(C)c1 ZINC000223495296 571486853 /nfs/dbraw/zinc/48/68/53/571486853.db2.gz NXJULUOXAFQBMG-QFEZKATASA-N 0 0 503.668 6.389 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000150419749 571487189 /nfs/dbraw/zinc/48/71/89/571487189.db2.gz TYBSFVURRWJSJR-KQWNVCNZSA-N 0 0 633.739 6.940 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223500248 571487593 /nfs/dbraw/zinc/48/75/93/571487593.db2.gz XUNDKGGODPYUGP-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500081 571487608 /nfs/dbraw/zinc/48/76/08/571487608.db2.gz WCKHFVMSBVOGTK-URLMMPGGSA-N 0 0 510.711 5.903 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503663 571488536 /nfs/dbraw/zinc/48/85/36/571488536.db2.gz QBKMONYYFGLAMQ-UIOOFZCWSA-N 0 0 504.059 5.719 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150425604 571489871 /nfs/dbraw/zinc/48/98/71/571489871.db2.gz BQPZKNLAUPMEDR-UUYOSTAYSA-N 0 0 638.392 7.280 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc4ccccc43)C2=O)SC1=S)Nc1cccc2ccccc21 ZINC000150429070 571492435 /nfs/dbraw/zinc/49/24/35/571492435.db2.gz GIOGQDDAGMVMCB-JEIPZWNWSA-N 0 0 740.998 8.623 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc43)C2=O)SC1=S)Nc1cccc2ccccc21 ZINC000150429110 571492601 /nfs/dbraw/zinc/49/26/01/571492601.db2.gz AKXQKLRYZOXLEZ-QVIHXGFCSA-N 0 0 684.890 7.063 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224192595 571493875 /nfs/dbraw/zinc/49/38/75/571493875.db2.gz CNLKQGUVHHODKY-IHLOFXLRSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224192689 571493927 /nfs/dbraw/zinc/49/39/27/571493927.db2.gz CNLKQGUVHHODKY-KYJUHHDHSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000224203526 571495787 /nfs/dbraw/zinc/49/57/87/571495787.db2.gz VYOCEHIJWHVSEC-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224203731 571495940 /nfs/dbraw/zinc/49/59/40/571495940.db2.gz ZALGTYMIGTXFQX-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224203821 571495961 /nfs/dbraw/zinc/49/59/61/571495961.db2.gz ZALGTYMIGTXFQX-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224206036 571496465 /nfs/dbraw/zinc/49/64/65/571496465.db2.gz NRCFZNSMDKFPAC-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224207571 571496914 /nfs/dbraw/zinc/49/69/14/571496914.db2.gz DXHDPANVQHPNNK-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224207610 571496975 /nfs/dbraw/zinc/49/69/75/571496975.db2.gz DXHDPANVQHPNNK-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Br)cc1 ZINC000223537247 571497320 /nfs/dbraw/zinc/49/73/20/571497320.db2.gz BLMFMOIORPCHQZ-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539430 571497756 /nfs/dbraw/zinc/49/77/56/571497756.db2.gz HFFXAPMZLFBBNN-FQLXRVMXSA-N 0 0 510.711 5.903 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539484 571497813 /nfs/dbraw/zinc/49/78/13/571497813.db2.gz HFFXAPMZLFBBNN-WDYNHAJCSA-N 0 0 510.711 5.903 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543123 571498368 /nfs/dbraw/zinc/49/83/68/571498368.db2.gz DIMSUNJKWITUOU-IZZNHLLZSA-N 0 0 504.059 5.719 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000150444701 571499737 /nfs/dbraw/zinc/49/97/37/571499737.db2.gz IYGBBOGCKMVDQV-FMQUCBEESA-N 0 0 694.496 6.590 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000150444762 571499993 /nfs/dbraw/zinc/49/99/93/571499993.db2.gz JNCRNAPZVIJPTG-OCEACIFDSA-N 0 0 819.890 7.378 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224224842 571500805 /nfs/dbraw/zinc/50/08/05/571500805.db2.gz QYURYJAXNSTAIE-FTJBHMTQSA-N 0 0 506.597 6.993 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150448898 571501753 /nfs/dbraw/zinc/50/17/53/571501753.db2.gz MBNHELPVBKHXSC-IDUWFGFVSA-N 0 0 663.207 6.323 40 10 KKCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150450566 571502461 /nfs/dbraw/zinc/50/24/61/571502461.db2.gz NJBQQCHYXXNMJI-QSJINSDNSA-N 0 0 617.182 6.370 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224234202 571502864 /nfs/dbraw/zinc/50/28/64/571502864.db2.gz PSGGKOHUUDCCBZ-UIOOFZCWSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224238064 571504096 /nfs/dbraw/zinc/50/40/96/571504096.db2.gz UVLYYUODLTZOKZ-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237922 571504101 /nfs/dbraw/zinc/50/41/01/571504101.db2.gz RIXCDTIQKCMKGN-XZWHSSHBSA-N 0 0 509.723 6.821 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 ZINC000150455010 571504204 /nfs/dbraw/zinc/50/42/04/571504204.db2.gz UVBXYLMBMFNICH-SKTAYQSRSA-N 0 0 678.927 5.411 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224239731 571504449 /nfs/dbraw/zinc/50/44/49/571504449.db2.gz QPZREYWUJDYKEG-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224239999 571504454 /nfs/dbraw/zinc/50/44/54/571504454.db2.gz FCNPDZCDJQQTDD-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000150455963 571504596 /nfs/dbraw/zinc/50/45/96/571504596.db2.gz ZHUIQKUACZXFKJ-UHFFFAOYSA-N 0 0 696.803 6.958 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2c(Br)cc(Br)cc2Br)C1=O ZINC000150456653 571504738 /nfs/dbraw/zinc/50/47/38/571504738.db2.gz GHFPSMUXRSJKAH-YPJQUURKSA-N 0 0 659.263 7.541 40 10 KKCBRN COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(OC)cc4)C3=O)SC2=S)cc1 ZINC000150461732 571506538 /nfs/dbraw/zinc/50/65/38/571506538.db2.gz FAIZJJXUDOOCPZ-BYYHNAKLSA-N 0 0 700.930 6.334 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223585946 571508026 /nfs/dbraw/zinc/50/80/26/571508026.db2.gz FXLXEEHOOIKUGP-QWUOEIFBSA-N 0 0 512.075 6.436 40 10 KKCBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000224259087 571508347 /nfs/dbraw/zinc/50/83/47/571508347.db2.gz BHNRBYULZZTXJR-SXOMAYOGSA-N 0 0 503.115 7.161 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000150470176 571509075 /nfs/dbraw/zinc/50/90/75/571509075.db2.gz STYJPLGWOQSMHQ-QNEJGDQOSA-N 0 0 904.052 9.718 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1O ZINC000150469995 571509091 /nfs/dbraw/zinc/50/90/91/571509091.db2.gz FRLLCOVLLHBDFW-OCEACIFDSA-N 0 0 741.766 7.035 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224268613 571510356 /nfs/dbraw/zinc/51/03/56/571510356.db2.gz QDNZUMTVZFGBPC-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224271057 571510627 /nfs/dbraw/zinc/51/06/27/571510627.db2.gz QHVDZSIIOCCBNR-RRPNLBNLSA-N 0 0 521.517 7.590 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224272276 571510993 /nfs/dbraw/zinc/51/09/93/571510993.db2.gz GRIUOZDIDQONKC-VSGBNLITSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273289 571511193 /nfs/dbraw/zinc/51/11/93/571511193.db2.gz ZWCSEOKFSNGFNO-WUFINQPMSA-N 0 0 517.098 6.945 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224290398 571514392 /nfs/dbraw/zinc/51/43/92/571514392.db2.gz SGBSIPUQGQZNTA-SVBPBHIXSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c1 ZINC000223615675 571514509 /nfs/dbraw/zinc/51/45/09/571514509.db2.gz PANCPIYBZDIKKI-FQOPDIHJSA-N 0 0 505.684 6.479 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223616404 571514656 /nfs/dbraw/zinc/51/46/56/571514656.db2.gz OGSMQMJXGJWSLL-WTZXFZKGSA-N 0 0 570.553 6.933 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c(C)c1 ZINC000223616725 571514677 /nfs/dbraw/zinc/51/46/77/571514677.db2.gz BRSIJVXMUQMHEN-IDEIYSCTSA-N 0 0 519.711 6.787 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000223616900 571514820 /nfs/dbraw/zinc/51/48/20/571514820.db2.gz XYFPBXPKYIMVPS-YIRYVTQCSA-N 0 0 535.710 6.569 40 10 KKCBRN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Cl)cc1 ZINC000150484897 571515442 /nfs/dbraw/zinc/51/54/42/571515442.db2.gz WRKGKFFSFJDRLJ-AJQTZOPKSA-N 0 0 628.511 8.222 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224298008 571516401 /nfs/dbraw/zinc/51/64/01/571516401.db2.gz CPJCMBPNVYBIPD-FIRIVFDPSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224298056 571516420 /nfs/dbraw/zinc/51/64/20/571516420.db2.gz CPJCMBPNVYBIPD-JSOSNVBQSA-N 0 0 502.687 7.436 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150487201 571516553 /nfs/dbraw/zinc/51/65/53/571516553.db2.gz VSTXOHMVLGBTOU-ZZXMARCTSA-N 0 0 647.797 5.977 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224299644 571516834 /nfs/dbraw/zinc/51/68/34/571516834.db2.gz GOGIECUJPCSQHY-KAYWLYCHSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224302073 571517347 /nfs/dbraw/zinc/51/73/47/571517347.db2.gz IBOMNHNSYUOVLL-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304282 571517906 /nfs/dbraw/zinc/51/79/06/571517906.db2.gz YDWRBZRWNQNWNG-IOWSJCHKSA-N 0 0 523.750 7.129 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304334 571517950 /nfs/dbraw/zinc/51/79/50/571517950.db2.gz YDWRBZRWNQNWNG-CONSDPRKSA-N 0 0 523.750 7.129 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223640398 571518646 /nfs/dbraw/zinc/51/86/46/571518646.db2.gz LXYMUTFFVLWGJZ-GOTSBHOMSA-N 0 0 502.562 5.044 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000224326552 571522459 /nfs/dbraw/zinc/52/24/59/571522459.db2.gz JCEMHSTUEWODJH-SXOMAYOGSA-N 0 0 503.115 7.106 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000224330001 571523039 /nfs/dbraw/zinc/52/30/39/571523039.db2.gz LDDKMGSBEFAORG-SXOMAYOGSA-N 0 0 503.071 6.588 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000224336449 571524718 /nfs/dbraw/zinc/52/47/18/571524718.db2.gz LYXBPIITUBNOHJ-SVBPBHIXSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000224336582 571524954 /nfs/dbraw/zinc/52/49/54/571524954.db2.gz LYXBPIITUBNOHJ-KAYWLYCHSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000224338415 571525427 /nfs/dbraw/zinc/52/54/27/571525427.db2.gz OVMVWTWRSXSVNM-FIRIVFDPSA-N 0 0 523.750 7.075 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662101 571527671 /nfs/dbraw/zinc/52/76/71/571527671.db2.gz KBYILHOJMPSPJO-SDXCYZGMSA-N 0 0 678.954 11.182 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662107 571527698 /nfs/dbraw/zinc/52/76/98/571527698.db2.gz XTMLICIYPNABCR-LTWMZFANSA-N 0 0 713.399 11.836 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224362177 571530145 /nfs/dbraw/zinc/53/01/45/571530145.db2.gz ADVHZMKUBSRIBB-WUFINQPMSA-N 0 0 517.098 7.149 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224366474 571531135 /nfs/dbraw/zinc/53/11/35/571531135.db2.gz FLPJUTRVZRIWNA-VSGBNLITSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224368588 571531448 /nfs/dbraw/zinc/53/14/48/571531448.db2.gz RCEVOQVEOKTYBR-VSGBNLITSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224368528 571531530 /nfs/dbraw/zinc/53/15/30/571531530.db2.gz QNCLVQVNZUQRDR-NSOVKSMOSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224371696 571532204 /nfs/dbraw/zinc/53/22/04/571532204.db2.gz OJQQJPXJKKFXRS-WDYNHAJCSA-N 0 0 510.663 6.518 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224372012 571532325 /nfs/dbraw/zinc/53/23/25/571532325.db2.gz ATHFIDXTHUDQOW-FQLXRVMXSA-N 0 0 515.126 7.751 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373348 571532542 /nfs/dbraw/zinc/53/25/42/571532542.db2.gz LQWDOXCEUKQFFA-BVRKHOPBSA-N 0 0 508.735 7.660 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(I)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000163200571 571532864 /nfs/dbraw/zinc/53/28/64/571532864.db2.gz IDYCCBQGVCLJIQ-GSTVVXAASA-N 0 0 669.588 6.339 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000163459484 571535667 /nfs/dbraw/zinc/53/56/67/571535667.db2.gz CAHYCOFYLAZDEY-HVDVVURSSA-N 0 0 693.651 6.714 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224398568 571537623 /nfs/dbraw/zinc/53/76/23/571537623.db2.gz XENBZVRSCMSXBE-LOSJGSFVSA-N 0 0 510.560 6.824 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224400514 571537928 /nfs/dbraw/zinc/53/79/28/571537928.db2.gz JIGLAFPKUHFYAU-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223753379 571538405 /nfs/dbraw/zinc/53/84/05/571538405.db2.gz YZFXRAMYISEYEC-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224404586 571538907 /nfs/dbraw/zinc/53/89/07/571538907.db2.gz LDTJJBAXFPVISP-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224404449 571539007 /nfs/dbraw/zinc/53/90/07/571539007.db2.gz LDTJJBAXFPVISP-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405355 571539074 /nfs/dbraw/zinc/53/90/74/571539074.db2.gz NMGVMHZKFYXCFJ-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223766805 571540764 /nfs/dbraw/zinc/54/07/64/571540764.db2.gz QXBQFCGFMFKGIE-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223766861 571540786 /nfs/dbraw/zinc/54/07/86/571540786.db2.gz QXBQFCGFMFKGIE-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000163705205 571540971 /nfs/dbraw/zinc/54/09/71/571540971.db2.gz YPNNDNFNWQGCPV-QKDODKLFSA-N 0 0 673.313 6.699 40 10 KKCBRN CCOc1cccc2c1N(C(=O)c1ccccc1I)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000163706386 571541107 /nfs/dbraw/zinc/54/11/07/571541107.db2.gz ZCCBJABWDLSQQE-UHFFFAOYSA-N 0 0 681.595 6.205 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000224416315 571541628 /nfs/dbraw/zinc/54/16/28/571541628.db2.gz XRFHUKQXWUCDDU-UHFFFAOYSA-N 0 0 500.064 5.082 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163747604 571542557 /nfs/dbraw/zinc/54/25/57/571542557.db2.gz OYDGAGRRPNCQQD-USDTVRPUSA-N 0 0 665.597 5.934 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224421325 571542558 /nfs/dbraw/zinc/54/25/58/571542558.db2.gz SUFGLSVIOLQKJZ-JWQCQUIFSA-N 0 0 510.560 6.824 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)c1 ZINC000223781092 571543071 /nfs/dbraw/zinc/54/30/71/571543071.db2.gz IQGRHBGIQZFHLS-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F ZINC000224431691 571544472 /nfs/dbraw/zinc/54/44/72/571544472.db2.gz ULVDFXOQPLUMDN-JWQCQUIFSA-N 0 0 510.560 6.824 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223791206 571544729 /nfs/dbraw/zinc/54/47/29/571544729.db2.gz XFAMQTRCGDHRJP-KAYWLYCHSA-N 0 0 519.070 6.424 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000164207464 571545154 /nfs/dbraw/zinc/54/51/54/571545154.db2.gz CQLAPEKYSZUYLY-XSTKMXAKSA-N 0 0 638.161 5.796 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223797409 571545708 /nfs/dbraw/zinc/54/57/08/571545708.db2.gz NOKUBPMYAHMZKQ-RRPNLBNLSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223798133 571545881 /nfs/dbraw/zinc/54/58/81/571545881.db2.gz FPFBNBXFAZPXMS-RRPNLBNLSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223797891 571545911 /nfs/dbraw/zinc/54/59/11/571545911.db2.gz KYPTVQKSTXYYLA-RRPNLBNLSA-N 0 0 503.071 6.718 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224438209 571545934 /nfs/dbraw/zinc/54/59/34/571545934.db2.gz QLCBVNYYAVUGKS-IZZNHLLZSA-N 0 0 507.034 6.467 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223798424 571546068 /nfs/dbraw/zinc/54/60/68/571546068.db2.gz UHEGJIYHFJSHQU-KAYWLYCHSA-N 0 0 547.522 6.827 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cc(Cl)ccc5Cl)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164469090 571548553 /nfs/dbraw/zinc/54/85/53/571548553.db2.gz ROGOFXGQIHHCNO-ADRXYBOHSA-N 0 0 622.530 8.108 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cc(Cl)cc(Cl)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164469580 571548597 /nfs/dbraw/zinc/54/85/97/571548597.db2.gz YROZAFJQUXGRCM-WTNLLYQRSA-N 0 0 622.530 8.108 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224450724 571548970 /nfs/dbraw/zinc/54/89/70/571548970.db2.gz PJMHQUCHPSLLNT-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000164567752 571549964 /nfs/dbraw/zinc/54/99/64/571549964.db2.gz JJDWEWXZTMFNBZ-VSQRRKBNSA-N 0 0 647.757 5.815 40 10 KKCBRN Cc1ccccc1N1C(=O)C(=Cc2cc(I)cc(I)c2O)C(=O)N(c2ccccc2C)C1=O ZINC000164792074 571551086 /nfs/dbraw/zinc/55/10/86/571551086.db2.gz GTVARARMERBKGV-UHFFFAOYSA-N 0 0 664.237 5.802 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164811679 571551271 /nfs/dbraw/zinc/55/12/71/571551271.db2.gz FNSXLLYYYBDGGQ-UHFFFAOYSA-N 0 0 692.937 7.732 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164808124 571551333 /nfs/dbraw/zinc/55/13/33/571551333.db2.gz AYEMZDVPPAXDFQ-UHFFFAOYSA-N 0 0 628.435 6.528 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164815411 571551336 /nfs/dbraw/zinc/55/13/36/571551336.db2.gz XMERXXGJIQCNQY-UHFFFAOYSA-N 0 0 706.964 8.123 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224465275 571552104 /nfs/dbraw/zinc/55/21/04/571552104.db2.gz NEEDDSDLMRHJLQ-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224469092 571553174 /nfs/dbraw/zinc/55/31/74/571553174.db2.gz PYSAOCSQKZKBDL-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224469651 571553255 /nfs/dbraw/zinc/55/32/55/571553255.db2.gz MTIVDGDQFKVHTQ-UIOOFZCWSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224469363 571553304 /nfs/dbraw/zinc/55/33/04/571553304.db2.gz JFXHDUBHDBPFCL-CLJLJLNGSA-N 0 0 534.041 6.236 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000169618113 571554073 /nfs/dbraw/zinc/55/40/73/571554073.db2.gz PAEZAUXQWQKQKJ-NJYVYQBISA-N 0 0 525.866 5.054 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223822432 571556271 /nfs/dbraw/zinc/55/62/71/571556271.db2.gz ONJWIGLADNVUOS-VSGBNLITSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223823819 571556688 /nfs/dbraw/zinc/55/66/88/571556688.db2.gz MLLIYNLRWRZOQD-NSOVKSMOSA-N 0 0 543.649 5.982 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224485233 571557123 /nfs/dbraw/zinc/55/71/23/571557123.db2.gz OULIMURSTVLGLL-LOSJGSFVSA-N 0 0 571.466 7.448 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224485426 571557365 /nfs/dbraw/zinc/55/73/65/571557365.db2.gz YUJYEXICDCVNQH-VMPREFPWSA-N 0 0 588.575 6.265 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccn1 ZINC000224487708 571557936 /nfs/dbraw/zinc/55/79/36/571557936.db2.gz AMOMBUAJHMLVGW-BJKOFHAPSA-N 0 0 504.457 5.824 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000169684277 571558285 /nfs/dbraw/zinc/55/82/85/571558285.db2.gz YUFLAILITWSYGG-NJDAHSKKSA-N 0 0 570.317 5.163 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000169684681 571558341 /nfs/dbraw/zinc/55/83/41/571558341.db2.gz SVTOWKUKWKAKSV-PFBJBMPXSA-N 0 0 549.966 5.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000223839997 571559671 /nfs/dbraw/zinc/55/96/71/571559671.db2.gz PURVCDPHEKPBEZ-NSOVKSMOSA-N 0 0 526.662 5.852 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000223840253 571559695 /nfs/dbraw/zinc/55/96/95/571559695.db2.gz MVCDUAKMUTUQCT-NSOVKSMOSA-N 0 0 526.662 5.852 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000223840370 571559753 /nfs/dbraw/zinc/55/97/53/571559753.db2.gz MVCDUAKMUTUQCT-WUFINQPMSA-N 0 0 526.662 5.852 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224494826 571559845 /nfs/dbraw/zinc/55/98/45/571559845.db2.gz YTLSWDWZMIZAKT-SVBPBHIXSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224495014 571559900 /nfs/dbraw/zinc/55/99/00/571559900.db2.gz BJYXXBLLLDZPDH-SVBPBHIXSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(F)c1 ZINC000224495426 571560001 /nfs/dbraw/zinc/56/00/01/571560001.db2.gz VIXLCGSWTXDFKU-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224496025 571560063 /nfs/dbraw/zinc/56/00/63/571560063.db2.gz ITDZYNIDRWEYSX-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224496825 571560340 /nfs/dbraw/zinc/56/03/40/571560340.db2.gz KZCJDFZCZUEVPH-DQEYMECFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223845130 571560479 /nfs/dbraw/zinc/56/04/79/571560479.db2.gz RILOOQFOXJAEPU-JWQCQUIFSA-N 0 0 508.569 6.391 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224497461 571560592 /nfs/dbraw/zinc/56/05/92/571560592.db2.gz XOXRYPOAHGVXRI-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cccc1C ZINC000224499556 571561060 /nfs/dbraw/zinc/56/10/60/571561060.db2.gz XBLROHXKWNSXEH-XNMGPUDCSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224500730 571561425 /nfs/dbraw/zinc/56/14/25/571561425.db2.gz VGWLUDWBTPJESB-XCZPVHLTSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224500682 571561498 /nfs/dbraw/zinc/56/14/98/571561498.db2.gz VGWLUDWBTPJESB-XTEPFMGCSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224501499 571561665 /nfs/dbraw/zinc/56/16/65/571561665.db2.gz YXKWSZVWIALWLN-FTJBHMTQSA-N 0 0 551.941 7.391 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223863683 571563912 /nfs/dbraw/zinc/56/39/12/571563912.db2.gz RFMXGKOJQABNTC-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223864439 571564047 /nfs/dbraw/zinc/56/40/47/571564047.db2.gz HZLLCHYHEGKSKX-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224532296 571567941 /nfs/dbraw/zinc/56/79/41/571567941.db2.gz FRLWJUNWBMJTIZ-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224532607 571567974 /nfs/dbraw/zinc/56/79/74/571567974.db2.gz NOGARVIQCAYVMX-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223884703 571568033 /nfs/dbraw/zinc/56/80/33/571568033.db2.gz QZDLDCBLWGEWLF-KAYWLYCHSA-N 0 0 535.639 6.751 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224535086 571568565 /nfs/dbraw/zinc/56/85/65/571568565.db2.gz AKNZHZODCQZUGB-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224536684 571569136 /nfs/dbraw/zinc/56/91/36/571569136.db2.gz HVOLQUVUNMPWHR-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224537840 571569391 /nfs/dbraw/zinc/56/93/91/571569391.db2.gz LHCCQORBILFZFA-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224537792 571569428 /nfs/dbraw/zinc/56/94/28/571569428.db2.gz LHCCQORBILFZFA-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223896291 571570149 /nfs/dbraw/zinc/57/01/49/571570149.db2.gz SLGXRWFOXZNLSS-SVBPBHIXSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223896421 571570176 /nfs/dbraw/zinc/57/01/76/571570176.db2.gz VZFWTXGGNLDJMJ-SXOMAYOGSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000205748551 571570595 /nfs/dbraw/zinc/57/05/95/571570595.db2.gz AVDIZJOLUPXEEF-CIAFOILYSA-N 0 0 548.833 6.589 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223901060 571571145 /nfs/dbraw/zinc/57/11/45/571571145.db2.gz ACTHEIMSCJQVJZ-DGPALRBDSA-N 0 0 509.723 6.658 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223901329 571571170 /nfs/dbraw/zinc/57/11/70/571571170.db2.gz RBETXTDARLPFGV-WUFINQPMSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223901574 571571285 /nfs/dbraw/zinc/57/12/85/571571285.db2.gz JKZNUFUOAXROPD-WUFINQPMSA-N 0 0 542.665 5.649 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)c1 ZINC000224551170 571572702 /nfs/dbraw/zinc/57/27/02/571572702.db2.gz JGRPAYLXYHUSAM-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C ZINC000224551475 571572737 /nfs/dbraw/zinc/57/27/37/571572737.db2.gz HCXBUQTVNIVKNG-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000206908031 571573016 /nfs/dbraw/zinc/57/30/16/571573016.db2.gz JSZLCIPRUHXGKP-CIAFOILYSA-N 0 0 624.365 6.890 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000206907935 571573053 /nfs/dbraw/zinc/57/30/53/571573053.db2.gz WPXCYXAOMHUCDF-FYJGNVAPSA-N 0 0 589.920 6.236 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000208256489 571573534 /nfs/dbraw/zinc/57/35/34/571573534.db2.gz JYXQGBDQEVDNGV-PWKYRQDESA-N 0 0 514.047 5.746 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000208256117 571573556 /nfs/dbraw/zinc/57/35/56/571573556.db2.gz SMQKVUKXRSOIHS-YYLUKMIBSA-N 0 0 518.466 6.390 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000208363898 571574128 /nfs/dbraw/zinc/57/41/28/571574128.db2.gz LBVDEKRPFHQBFE-WPUHHHFCSA-N 0 0 582.509 5.431 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000208383717 571574201 /nfs/dbraw/zinc/57/42/01/571574201.db2.gz CLHQZABDNPHIMY-KUSDHMTMSA-N 0 0 595.671 5.621 40 10 KKCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224558777 571574321 /nfs/dbraw/zinc/57/43/21/571574321.db2.gz KPFLSWPGGAAEOH-UHFFFAOYSA-N 0 0 522.645 6.302 40 10 KKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000208526835 571574682 /nfs/dbraw/zinc/57/46/82/571574682.db2.gz YRADWQOBELFDAV-UCQKPKSFSA-N 0 0 538.423 6.581 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)c(C)c1 ZINC000208655128 571574776 /nfs/dbraw/zinc/57/47/76/571574776.db2.gz RQCNUDMFSYUQIS-UUYOSTAYSA-N 0 0 607.364 7.952 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000208647635 571574795 /nfs/dbraw/zinc/57/47/95/571574795.db2.gz HOFDEUUTAADTAK-JJFYIABZSA-N 0 0 591.545 7.119 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208661268 571574850 /nfs/dbraw/zinc/57/48/50/571574850.db2.gz VRIUUIWISZRWCL-BKUYFWCQSA-N 0 0 513.388 6.258 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1 ZINC000223917016 571574980 /nfs/dbraw/zinc/57/49/80/571574980.db2.gz XXTURINWFJQULA-VSGBNLITSA-N 0 0 525.678 5.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208724033 571575077 /nfs/dbraw/zinc/57/50/77/571575077.db2.gz YPDCZULWDMVZDG-QQXSKIMKSA-N 0 0 576.537 7.904 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208710778 571575078 /nfs/dbraw/zinc/57/50/78/571575078.db2.gz BDFDOEBHLVHXML-JJFYIABZSA-N 0 0 520.434 7.126 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc(F)c1 ZINC000208730137 571575115 /nfs/dbraw/zinc/57/51/15/571575115.db2.gz XJNXPIRXDOBYAA-ZDLGFXPLSA-N 0 0 505.346 6.162 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000224564207 571575678 /nfs/dbraw/zinc/57/56/78/571575678.db2.gz ODCKOOJUFXKDAT-XZWHSSHBSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000224567551 571576307 /nfs/dbraw/zinc/57/63/07/571576307.db2.gz JZRRDMPPMPCIAN-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569879 571576831 /nfs/dbraw/zinc/57/68/31/571576831.db2.gz DVECFTGUMQCYRM-IHLOFXLRSA-N 0 0 525.722 6.521 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223926638 571576912 /nfs/dbraw/zinc/57/69/12/571576912.db2.gz TVZVZSGLWUNCEE-URLMMPGGSA-N 0 0 560.123 5.862 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000224573051 571577616 /nfs/dbraw/zinc/57/76/16/571577616.db2.gz NZIIBXGTWSQYFO-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214136425 571577656 /nfs/dbraw/zinc/57/76/56/571577656.db2.gz HBMBSYXNSKORMN-LGJNPRDNSA-N 0 0 575.945 8.309 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C ZINC000223931349 571577772 /nfs/dbraw/zinc/57/77/72/571577772.db2.gz GVASQPABYYJEMW-IHLOFXLRSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223932045 571577975 /nfs/dbraw/zinc/57/79/75/571577975.db2.gz LHUOBKIDDGGFMB-FQLXRVMXSA-N 0 0 577.676 6.522 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223932342 571577988 /nfs/dbraw/zinc/57/79/88/571577988.db2.gz RVCDWZMTPKMVNQ-JSOSNVBQSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000223933117 571578153 /nfs/dbraw/zinc/57/81/53/571578153.db2.gz NOQRRFSEUXIUFX-URLMMPGGSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000223933353 571578223 /nfs/dbraw/zinc/57/82/23/571578223.db2.gz IMYCRYROBTZBMS-URLMMPGGSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1O ZINC000223935176 571578536 /nfs/dbraw/zinc/57/85/36/571578536.db2.gz MYGGDTABBCJRAI-VMPREFPWSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223934861 571578557 /nfs/dbraw/zinc/57/85/57/571578557.db2.gz MNIILQPJYHHINU-URLMMPGGSA-N 0 0 588.575 6.265 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223935631 571578674 /nfs/dbraw/zinc/57/86/74/571578674.db2.gz CQZZBROAPRRBQH-KYJUHHDHSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223935692 571578746 /nfs/dbraw/zinc/57/87/46/571578746.db2.gz FKHZNBXNCOIDJK-LOYHVIPDSA-N 0 0 539.705 5.511 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214396989 571578864 /nfs/dbraw/zinc/57/88/64/571578864.db2.gz FOEUDAJNHIWZLF-KBKYJPHKSA-N 0 0 610.390 8.962 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223936819 571579010 /nfs/dbraw/zinc/57/90/10/571579010.db2.gz SGOAXYSGDOFVGB-CONSDPRKSA-N 0 0 552.748 5.569 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223937531 571579148 /nfs/dbraw/zinc/57/91/48/571579148.db2.gz LDQXUCIFWMIXAF-URLMMPGGSA-N 0 0 578.569 6.810 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223938921 571579514 /nfs/dbraw/zinc/57/95/14/571579514.db2.gz ODJDBXKFFMDPPI-XLJNKUFUSA-N 0 0 551.760 6.428 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000214718179 571580718 /nfs/dbraw/zinc/58/07/18/571580718.db2.gz RPBJRLVAUGGWIZ-CVKSISIWSA-N 0 0 541.500 7.655 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223956185 571583221 /nfs/dbraw/zinc/58/32/21/571583221.db2.gz OEAGFIRQMKGKLD-XZWHSSHBSA-N 0 0 567.715 5.289 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223956405 571583324 /nfs/dbraw/zinc/58/33/24/571583324.db2.gz MZAPCBCIINWZAR-XZWHSSHBSA-N 0 0 567.715 5.289 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000215150599 571583445 /nfs/dbraw/zinc/58/34/45/571583445.db2.gz CXIAOHVEVAWCSG-KBKYJPHKSA-N 0 0 593.935 8.448 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224601905 571584214 /nfs/dbraw/zinc/58/42/14/571584214.db2.gz CPQMABGERWPBIB-DQEYMECFSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Br ZINC000224603680 571584612 /nfs/dbraw/zinc/58/46/12/571584612.db2.gz JAUZLBJBODOYSL-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Br ZINC000224603630 571584622 /nfs/dbraw/zinc/58/46/22/571584622.db2.gz JAUZLBJBODOYSL-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223962798 571584654 /nfs/dbraw/zinc/58/46/54/571584654.db2.gz IJCRDVIJTFQWRG-SXOMAYOGSA-N 0 0 532.113 6.502 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Br)c1 ZINC000224603991 571584651 /nfs/dbraw/zinc/58/46/51/571584651.db2.gz PEZPUAFHUZCFDF-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224605968 571585121 /nfs/dbraw/zinc/58/51/21/571585121.db2.gz MWYSEPPMWLJDEX-FQLXRVMXSA-N 0 0 511.695 6.218 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223966922 571585388 /nfs/dbraw/zinc/58/53/88/571585388.db2.gz RFVRBDDSXOJZCO-KAYWLYCHSA-N 0 0 532.069 5.984 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609145 571585866 /nfs/dbraw/zinc/58/58/66/571585866.db2.gz KVHIMXUMHIKXBD-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223973205 571586592 /nfs/dbraw/zinc/58/65/92/571586592.db2.gz PBCNHSGKEJJUJB-VMPREFPWSA-N 0 0 509.679 6.187 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223974405 571586917 /nfs/dbraw/zinc/58/69/17/571586917.db2.gz VNRBXNBNOBMYFV-KAYWLYCHSA-N 0 0 516.070 6.278 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000223978334 571587656 /nfs/dbraw/zinc/58/76/56/571587656.db2.gz GQYVTKZSJOZLQK-WDYNHAJCSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000223979001 571587739 /nfs/dbraw/zinc/58/77/39/571587739.db2.gz NGMOCYNGDJCUIF-VMPREFPWSA-N 0 0 509.679 6.241 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224635998 571591798 /nfs/dbraw/zinc/59/17/98/571591798.db2.gz BSGQGIJDCDSKOZ-JSOSNVBQSA-N 0 0 584.667 8.477 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223996450 571591928 /nfs/dbraw/zinc/59/19/28/571591928.db2.gz QKEOTLUXZIIZAA-IZLXSDGUSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224637390 571592248 /nfs/dbraw/zinc/59/22/48/571592248.db2.gz ITOWKMRIMGZOFB-JSOSNVBQSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224637989 571592419 /nfs/dbraw/zinc/59/24/19/571592419.db2.gz YNFMSJBULJLBNO-IOWSJCHKSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224638465 571592564 /nfs/dbraw/zinc/59/25/64/571592564.db2.gz KMFLSFXIVBOZPR-JSOSNVBQSA-N 0 0 532.669 7.164 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639851 571592802 /nfs/dbraw/zinc/59/28/02/571592802.db2.gz KZVWHZLZKIIMBY-VSJLXWSYSA-N 0 0 587.793 8.305 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224639737 571592880 /nfs/dbraw/zinc/59/28/80/571592880.db2.gz CGGILWMIXUONTQ-JHOUSYSJSA-N 0 0 559.739 7.525 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224640157 571592984 /nfs/dbraw/zinc/59/29/84/571592984.db2.gz OOCGRSZHIMBFLB-IOWSJCHKSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224001711 571593192 /nfs/dbraw/zinc/59/31/92/571593192.db2.gz NBVRDBHLVUSRPS-IZZNHLLZSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224640812 571593179 /nfs/dbraw/zinc/59/31/79/571593179.db2.gz RAKXWZLBQWJINS-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224655526 571596603 /nfs/dbraw/zinc/59/66/03/571596603.db2.gz NSBVHMXTLSGGMU-AJQTZOPKSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224655765 571596729 /nfs/dbraw/zinc/59/67/29/571596729.db2.gz DYZCCVLNDKUQSI-ACHIHNKUSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224655722 571596753 /nfs/dbraw/zinc/59/67/53/571596753.db2.gz DYZCCVLNDKUQSI-AJQTZOPKSA-N 0 0 574.706 7.245 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224669545 571599398 /nfs/dbraw/zinc/59/93/98/571599398.db2.gz NZYRTJMRYCLVHG-ACHIHNKUSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224671124 571599849 /nfs/dbraw/zinc/59/98/49/571599849.db2.gz SYJPQTIBOFVACX-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224671693 571599854 /nfs/dbraw/zinc/59/98/54/571599854.db2.gz LKEJZTVETHKERM-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224672098 571599983 /nfs/dbraw/zinc/59/99/83/571599983.db2.gz AIIAIRAHAPTRLH-AJQTZOPKSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224672053 571600019 /nfs/dbraw/zinc/60/00/19/571600019.db2.gz AIIAIRAHAPTRLH-ZWXJPIIXSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1O ZINC000224671851 571600020 /nfs/dbraw/zinc/60/00/20/571600020.db2.gz SIEKXVNEXOGSGM-ZWXJPIIXSA-N 0 0 546.696 7.473 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224672473 571600188 /nfs/dbraw/zinc/60/01/88/571600188.db2.gz JUYXQMOFKWXTRF-SAIUNTKASA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224673237 571600369 /nfs/dbraw/zinc/60/03/69/571600369.db2.gz TVXOOBNVHUCGCP-KKLWWLSJSA-N 0 0 573.766 7.833 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224040667 571600471 /nfs/dbraw/zinc/60/04/71/571600471.db2.gz WBTSNKWAAOCBOA-WUFINQPMSA-N 0 0 601.094 7.364 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1C ZINC000224674113 571600526 /nfs/dbraw/zinc/60/05/26/571600526.db2.gz RUKAMOONHVXJQO-NOCHOARKSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224674988 571600651 /nfs/dbraw/zinc/60/06/51/571600651.db2.gz CZUUJTCTDGHQCY-JHOUSYSJSA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224674949 571600663 /nfs/dbraw/zinc/60/06/63/571600663.db2.gz CZUUJTCTDGHQCY-SAIUNTKASA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224675033 571600756 /nfs/dbraw/zinc/60/07/56/571600756.db2.gz CZUUJTCTDGHQCY-LQJZCPKCSA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224675186 571600840 /nfs/dbraw/zinc/60/08/40/571600840.db2.gz WAKQLEFHXCCQJK-QWOOXDRHSA-N 0 0 572.778 8.692 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676362 571600973 /nfs/dbraw/zinc/60/09/73/571600973.db2.gz KTECYQRGVRKPPG-SAIUNTKASA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224677472 571601290 /nfs/dbraw/zinc/60/12/90/571601290.db2.gz KGFOSYVMNMPRHM-ACHIHNKUSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224050944 571602158 /nfs/dbraw/zinc/60/21/58/571602158.db2.gz GQWILRKVLOFMJD-FQLXRVMXSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224050892 571602184 /nfs/dbraw/zinc/60/21/84/571602184.db2.gz GQWILRKVLOFMJD-URLMMPGGSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224052647 571602453 /nfs/dbraw/zinc/60/24/53/571602453.db2.gz JEKYJGWFABYCND-VSGBNLITSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224054519 571602937 /nfs/dbraw/zinc/60/29/37/571602937.db2.gz BUBCNLWDIGQNGZ-VSGBNLITSA-N 0 0 549.096 6.050 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224054291 571603003 /nfs/dbraw/zinc/60/30/03/571603003.db2.gz VDRLUNRMOZPFMD-VSGBNLITSA-N 0 0 611.993 7.107 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056227 571603326 /nfs/dbraw/zinc/60/33/26/571603326.db2.gz QOLTUCYZQHZMCS-ROJLCIKYSA-N 0 0 604.220 7.191 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl ZINC000224056482 571603332 /nfs/dbraw/zinc/60/33/32/571603332.db2.gz FPNHVCDSVVVMBS-NSOVKSMOSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224056152 571603348 /nfs/dbraw/zinc/60/33/48/571603348.db2.gz TVRZMBFGJRFQBQ-LOYHVIPDSA-N 0 0 576.166 6.411 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224057811 571603860 /nfs/dbraw/zinc/60/38/60/571603860.db2.gz VQMCSIKFAZSUER-LOYHVIPDSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224059249 571604147 /nfs/dbraw/zinc/60/41/47/571604147.db2.gz VCSRMKADDSFTBA-FQLXRVMXSA-N 0 0 581.569 7.307 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)cc1 ZINC000224689316 571604788 /nfs/dbraw/zinc/60/47/88/571604788.db2.gz LTCYWRAWXATSRQ-ROJLCIKYSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224694176 571605872 /nfs/dbraw/zinc/60/58/72/571605872.db2.gz FDZVUBWMWWMMEY-AJQTZOPKSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccn1 ZINC000224696830 571606213 /nfs/dbraw/zinc/60/62/13/571606213.db2.gz PPRDXSZZCOUYIS-JSOSNVBQSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224698932 571606413 /nfs/dbraw/zinc/60/64/13/571606413.db2.gz HUAJNGHJFNGZEU-AJQTZOPKSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224698980 571606530 /nfs/dbraw/zinc/60/65/30/571606530.db2.gz HUAJNGHJFNGZEU-ACHIHNKUSA-N 0 0 581.141 8.126 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000224074350 571606676 /nfs/dbraw/zinc/60/66/76/571606676.db2.gz PFJOCDZQSREAJE-SVBPBHIXSA-N 0 0 519.070 6.036 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1 ZINC000224702797 571606809 /nfs/dbraw/zinc/60/68/09/571606809.db2.gz VQXNFVSQJOHRSS-AJQTZOPKSA-N 0 0 530.697 7.767 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000224075600 571606818 /nfs/dbraw/zinc/60/68/18/571606818.db2.gz PLRBZRUZYKCKOA-URLMMPGGSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C ZINC000224703034 571606849 /nfs/dbraw/zinc/60/68/49/571606849.db2.gz ZIBDMEYSEFBICX-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224705628 571607030 /nfs/dbraw/zinc/60/70/30/571607030.db2.gz AVAYZWQFNCLNQW-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224705518 571607037 /nfs/dbraw/zinc/60/70/37/571607037.db2.gz ZEIRPFGGHPCAAZ-ACHIHNKUSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224704980 571607046 /nfs/dbraw/zinc/60/70/46/571607046.db2.gz KOFNBTFFSYRIPV-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1O ZINC000224706052 571607122 /nfs/dbraw/zinc/60/71/22/571607122.db2.gz MLDJVJHVNJTZMH-ZWXJPIIXSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224707966 571607311 /nfs/dbraw/zinc/60/73/11/571607311.db2.gz QXFLZFMHWBTPCD-ACHIHNKUSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224708790 571607550 /nfs/dbraw/zinc/60/75/50/571607550.db2.gz WFGOHNWEKBPQJE-TWJUONSBSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224709131 571607612 /nfs/dbraw/zinc/60/76/12/571607612.db2.gz JRBMKTGCLDJQPC-JHOUSYSJSA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224709538 571607726 /nfs/dbraw/zinc/60/77/26/571607726.db2.gz TXUBIZGPDXZTQQ-JHOUSYSJSA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224709449 571607739 /nfs/dbraw/zinc/60/77/39/571607739.db2.gz TXUBIZGPDXZTQQ-CZNDPXEESA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224709583 571607747 /nfs/dbraw/zinc/60/77/47/571607747.db2.gz TXUBIZGPDXZTQQ-LQJZCPKCSA-N 0 0 579.169 8.729 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224709882 571607812 /nfs/dbraw/zinc/60/78/12/571607812.db2.gz VIQBIPPVAANFMI-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224709835 571607859 /nfs/dbraw/zinc/60/78/59/571607859.db2.gz VIQBIPPVAANFMI-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710549 571608016 /nfs/dbraw/zinc/60/80/16/571608016.db2.gz HEPLIYKOZZKMGW-JHOUSYSJSA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224711135 571608139 /nfs/dbraw/zinc/60/81/39/571608139.db2.gz ZELIJYJVAQGNRS-ZWXJPIIXSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1 ZINC000224089344 571608385 /nfs/dbraw/zinc/60/83/85/571608385.db2.gz NTJQDQBJNHLKSV-FQLXRVMXSA-N 0 0 523.706 6.569 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224090274 571608539 /nfs/dbraw/zinc/60/85/39/571608539.db2.gz FMBALCQJTMTBMN-FQLXRVMXSA-N 0 0 591.703 7.588 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224090604 571608543 /nfs/dbraw/zinc/60/85/43/571608543.db2.gz IKRFMHMRTWHNOD-IOWSJCHKSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224092748 571608863 /nfs/dbraw/zinc/60/88/63/571608863.db2.gz YXXWOXMVZSFQGS-VMPREFPWSA-N 0 0 602.602 7.332 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224093626 571609088 /nfs/dbraw/zinc/60/90/88/571609088.db2.gz JSMVVDVETGKHFB-XZWHSSHBSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224099003 571609817 /nfs/dbraw/zinc/60/98/17/571609817.db2.gz HHDKLPXIMMOAHM-VMPREFPWSA-N 0 0 538.721 6.273 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098482 571609828 /nfs/dbraw/zinc/60/98/28/571609828.db2.gz LYUUUAQGMGRHLN-XZWHSSHBSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000224723143 571610693 /nfs/dbraw/zinc/61/06/93/571610693.db2.gz ZYRGNWTVCIYLQZ-FIRIVFDPSA-N 0 0 516.670 7.459 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000224723350 571610863 /nfs/dbraw/zinc/61/08/63/571610863.db2.gz QGSAZGNZAJUPNK-ROJLCIKYSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000224723436 571610877 /nfs/dbraw/zinc/61/08/77/571610877.db2.gz QGSAZGNZAJUPNK-AJQTZOPKSA-N 0 0 546.696 7.467 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)n1-c1ccccc1 ZINC000224112752 571611348 /nfs/dbraw/zinc/61/13/48/571611348.db2.gz PHYXLMVSJJHXCI-VSGBNLITSA-N 0 0 509.679 6.261 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4O)c3C)cc2)cc1 ZINC000224733108 571612247 /nfs/dbraw/zinc/61/22/47/571612247.db2.gz PPIBWSOAVWSAPG-AJQTZOPKSA-N 0 0 597.140 7.826 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)cc1 ZINC000224737828 571612568 /nfs/dbraw/zinc/61/25/68/571612568.db2.gz GZJJOLODTZOIOB-ROJLCIKYSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 ZINC000224739433 571612670 /nfs/dbraw/zinc/61/26/70/571612670.db2.gz UVIYIWKRBWBHFI-ROJLCIKYSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)cc1 ZINC000224740536 571612762 /nfs/dbraw/zinc/61/27/62/571612762.db2.gz IPFRWKIZEVBEKA-ROJLCIKYSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)cc1 ZINC000224742806 571612947 /nfs/dbraw/zinc/61/29/47/571612947.db2.gz SLESKMMHZQJAHZ-ROJLCIKYSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)cc1 ZINC000224743590 571613037 /nfs/dbraw/zinc/61/30/37/571613037.db2.gz WYLGAHWNWDZZRP-SZAHLOSFSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)cc2)cc1 ZINC000224745382 571613201 /nfs/dbraw/zinc/61/32/01/571613201.db2.gz JQZGYYMUBQBWHK-JHOUSYSJSA-N 0 0 621.719 7.384 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224745644 571613217 /nfs/dbraw/zinc/61/32/17/571613217.db2.gz GCLFETUDHYMGPW-LRHLLKFHSA-N 0 0 588.777 8.338 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ncccc4C)c3C)cc2)cc1 ZINC000224746008 571613300 /nfs/dbraw/zinc/61/33/00/571613300.db2.gz QBLDAQWWNRRKSU-IOWSJCHKSA-N 0 0 561.711 7.171 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224758273 571614431 /nfs/dbraw/zinc/61/44/31/571614431.db2.gz BXCYINGHWHAMSS-SAIUNTKASA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224771491 571615573 /nfs/dbraw/zinc/61/55/73/571615573.db2.gz HPLYVUACHAQXIH-ROJLCIKYSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224771623 571615613 /nfs/dbraw/zinc/61/56/13/571615613.db2.gz HPLYVUACHAQXIH-ACHIHNKUSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224772899 571615769 /nfs/dbraw/zinc/61/57/69/571615769.db2.gz XPXFADHMPGNLBE-FIRIVFDPSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1O ZINC000224774408 571615855 /nfs/dbraw/zinc/61/58/55/571615855.db2.gz QEEFHHSXSUWCFA-JSOSNVBQSA-N 0 0 593.734 7.431 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224777062 571616096 /nfs/dbraw/zinc/61/60/96/571616096.db2.gz YAVWYOFGYHUTMK-VTIYRKAUSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224777301 571616098 /nfs/dbraw/zinc/61/60/98/571616098.db2.gz LPFBURHMGLNOHN-JHOUSYSJSA-N 0 0 605.789 8.342 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778124 571616145 /nfs/dbraw/zinc/61/61/45/571616145.db2.gz XEIZFXFPUQQLTI-ACHIHNKUSA-N 0 0 652.758 7.642 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224778282 571616211 /nfs/dbraw/zinc/61/62/11/571616211.db2.gz OQQHINCKGLHRDH-AJQTZOPKSA-N 0 0 652.758 7.642 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779219 571616242 /nfs/dbraw/zinc/61/62/42/571616242.db2.gz RMMYZLTWVADVOG-CWTKIQHKSA-N 0 0 619.816 8.596 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ncccc1C ZINC000224779539 571616306 /nfs/dbraw/zinc/61/63/06/571616306.db2.gz HMPMGDOFRNFFRA-LOYHVIPDSA-N 0 0 592.750 7.429 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ncccc1C ZINC000224779632 571616319 /nfs/dbraw/zinc/61/63/19/571616319.db2.gz HMPMGDOFRNFFRA-XZWHSSHBSA-N 0 0 592.750 7.429 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224791377 571617471 /nfs/dbraw/zinc/61/74/71/571617471.db2.gz UQTKCCGWQANFAZ-FIRIVFDPSA-N 0 0 593.734 7.426 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1ccccc1 ZINC000224791176 571617496 /nfs/dbraw/zinc/61/74/96/571617496.db2.gz KQHPYZNYZFZNRJ-LOYHVIPDSA-N 0 0 563.708 7.417 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224792149 571617508 /nfs/dbraw/zinc/61/75/08/571617508.db2.gz UZWALIKQNXLYOG-ROJLCIKYSA-N 0 0 635.771 7.512 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224791771 571617517 /nfs/dbraw/zinc/61/75/17/571617517.db2.gz BBMKYPCOOQYXAB-ROJLCIKYSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c(OC)c1 ZINC000224797285 571618058 /nfs/dbraw/zinc/61/80/58/571618058.db2.gz DKHPJQIYHWFPEP-SXOMAYOGSA-N 0 0 535.113 6.561 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224805578 571618785 /nfs/dbraw/zinc/61/87/85/571618785.db2.gz JLGPVFGWDAXDGN-URLMMPGGSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 ZINC000224807423 571619003 /nfs/dbraw/zinc/61/90/03/571619003.db2.gz VZQQCYYIVYWKKN-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809168 571619151 /nfs/dbraw/zinc/61/91/51/571619151.db2.gz ACTOIVVPDDAXGN-JSOSNVBQSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 ZINC000224809021 571619165 /nfs/dbraw/zinc/61/91/65/571619165.db2.gz JLPJMDNIZWOQLI-URLMMPGGSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 ZINC000224809659 571619210 /nfs/dbraw/zinc/61/92/10/571619210.db2.gz OYGCRCYQNVLMQE-KAYWLYCHSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224824245 571620632 /nfs/dbraw/zinc/62/06/32/571620632.db2.gz KDCFRLAMDQYFSZ-SVBPBHIXSA-N 0 0 500.624 5.384 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224824793 571620663 /nfs/dbraw/zinc/62/06/63/571620663.db2.gz BZJAXURVLQEMIR-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224830191 571621278 /nfs/dbraw/zinc/62/12/78/571621278.db2.gz HWTDBVAVLUBLIE-SXOMAYOGSA-N 0 0 535.113 6.561 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1 ZINC000224833401 571621573 /nfs/dbraw/zinc/62/15/73/571621573.db2.gz XIYIOWBVSGRHFV-SVBPBHIXSA-N 0 0 535.069 6.042 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1 ZINC000224838609 571622116 /nfs/dbraw/zinc/62/21/16/571622116.db2.gz PQRSYMOSIDIWHO-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000224839504 571622194 /nfs/dbraw/zinc/62/21/94/571622194.db2.gz YBGPITLZWUBRKR-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224839889 571622259 /nfs/dbraw/zinc/62/22/59/571622259.db2.gz FJQJTMOVXBUVHY-SXOMAYOGSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000224841720 571622419 /nfs/dbraw/zinc/62/24/19/571622419.db2.gz WBZQDUMMWYGYJH-FQLXRVMXSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224842170 571622431 /nfs/dbraw/zinc/62/24/31/571622431.db2.gz YCLQKHOXVQEUBX-SVBPBHIXSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 ZINC000224843178 571622502 /nfs/dbraw/zinc/62/25/02/571622502.db2.gz VKVXRZRGCJVRAQ-IZLXSDGUSA-N 0 0 528.634 5.412 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1 ZINC000224842751 571622505 /nfs/dbraw/zinc/62/25/05/571622505.db2.gz JVFVACAZUFCCLD-YTMVLYRLSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 ZINC000224843129 571622506 /nfs/dbraw/zinc/62/25/06/571622506.db2.gz VKVXRZRGCJVRAQ-NSOVKSMOSA-N 0 0 528.634 5.412 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1O ZINC000224864470 571624515 /nfs/dbraw/zinc/62/45/15/571624515.db2.gz QHBIXDPASPTFMT-DQEYMECFSA-N 0 0 525.461 6.384 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224868869 571624973 /nfs/dbraw/zinc/62/49/73/571624973.db2.gz KRHMJFVWLZJDDJ-SXOMAYOGSA-N 0 0 503.071 6.588 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Br ZINC000224870102 571625118 /nfs/dbraw/zinc/62/51/18/571625118.db2.gz MGOROHANWDFINJ-JWQCQUIFSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)ccc1C ZINC000224872846 571625439 /nfs/dbraw/zinc/62/54/39/571625439.db2.gz HQMPSNFAXFTYDT-SXOMAYOGSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872483 571625441 /nfs/dbraw/zinc/62/54/41/571625441.db2.gz WGJOBBWNKLUFNT-RPBOFIJWSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C)c1C ZINC000224872746 571625452 /nfs/dbraw/zinc/62/54/52/571625452.db2.gz CXLAJROPSHBYPJ-SVBPBHIXSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cccc1C ZINC000224873019 571625479 /nfs/dbraw/zinc/62/54/79/571625479.db2.gz YOMUXASPZALCFV-VPUSJEBWSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1C ZINC000224873823 571625554 /nfs/dbraw/zinc/62/55/54/571625554.db2.gz BZIMFUGSYJWNQT-UIOOFZCWSA-N 0 0 523.489 6.987 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1C ZINC000224874228 571625584 /nfs/dbraw/zinc/62/55/84/571625584.db2.gz SBSOWQIIKPIOBI-CLJLJLNGSA-N 0 0 523.489 6.987 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874001 571625591 /nfs/dbraw/zinc/62/55/91/571625591.db2.gz DXYSTJGKTYNWBR-UIOOFZCWSA-N 0 0 550.040 5.942 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874989 571625709 /nfs/dbraw/zinc/62/57/09/571625709.db2.gz OVQSBCSGMMUNFF-XTEPFMGCSA-N 0 0 517.098 6.896 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224903124 571628413 /nfs/dbraw/zinc/62/84/13/571628413.db2.gz DUKRGHUKSVORHR-KAYWLYCHSA-N 0 0 505.062 7.076 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224919647 571629900 /nfs/dbraw/zinc/62/99/00/571629900.db2.gz KBFVKXUFMGBPBP-FTJBHMTQSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccn1 ZINC000224922071 571630176 /nfs/dbraw/zinc/63/01/76/571630176.db2.gz JUPRLZZWXRRXOQ-LOSJGSFVSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224928655 571630957 /nfs/dbraw/zinc/63/09/57/571630957.db2.gz WOPHHFTWRDBZFJ-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1F ZINC000224928554 571630971 /nfs/dbraw/zinc/63/09/71/571630971.db2.gz AXYMRJJTUPIQPB-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224929006 571631007 /nfs/dbraw/zinc/63/10/07/571631007.db2.gz QJBJVJFFRZAXGT-FTJBHMTQSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224929866 571631075 /nfs/dbraw/zinc/63/10/75/571631075.db2.gz MASTYPPMRISIHY-FTJBHMTQSA-N 0 0 596.392 7.500 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224930480 571631084 /nfs/dbraw/zinc/63/10/84/571631084.db2.gz LGMZEYJWVNDIGH-SVBPBHIXSA-N 0 0 547.522 6.746 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224930647 571631132 /nfs/dbraw/zinc/63/11/32/571631132.db2.gz CLTCLOBJRDOLMC-SVBPBHIXSA-N 0 0 547.522 6.746 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931451 571631201 /nfs/dbraw/zinc/63/12/01/571631201.db2.gz KQEOVKLVFKNOSQ-IHLOFXLRSA-N 0 0 588.619 7.583 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224945466 571632637 /nfs/dbraw/zinc/63/26/37/571632637.db2.gz SQAANXABNHURJE-KAYWLYCHSA-N 0 0 575.532 6.524 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224957782 571633735 /nfs/dbraw/zinc/63/37/35/571633735.db2.gz CMICWIGXZLOYSX-IZLXSDGUSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224957649 571633740 /nfs/dbraw/zinc/63/37/40/571633740.db2.gz VQDIVTGPFQXQOH-WUFINQPMSA-N 0 0 517.098 6.891 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224958003 571633805 /nfs/dbraw/zinc/63/38/05/571633805.db2.gz MOHJIAIJMIONCZ-IZZNHLLZSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224958223 571633809 /nfs/dbraw/zinc/63/38/09/571633809.db2.gz GAADVZAEDGANKY-CLJLJLNGSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224959020 571633869 /nfs/dbraw/zinc/63/38/69/571633869.db2.gz TVPSJYUWADQHEY-IZZNHLLZSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224959397 571633934 /nfs/dbraw/zinc/63/39/34/571633934.db2.gz UWPGIDXEXYNVDP-CLJLJLNGSA-N 0 0 567.940 7.091 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960904 571634107 /nfs/dbraw/zinc/63/41/07/571634107.db2.gz KWHZAGNYQVHBLM-XZWHSSHBSA-N 0 0 560.167 7.174 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224960695 571634122 /nfs/dbraw/zinc/63/41/22/571634122.db2.gz KVAGNJCOMVUTLO-IZLXSDGUSA-N 0 0 532.113 6.394 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224961250 571634164 /nfs/dbraw/zinc/63/41/64/571634164.db2.gz PGALNFYQKPWILY-IZZNHLLZSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224962681 571634306 /nfs/dbraw/zinc/63/43/06/571634306.db2.gz OUWSUUBIEIEMJU-KAYWLYCHSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224962469 571634320 /nfs/dbraw/zinc/63/43/20/571634320.db2.gz YGNKKYORMBVYPX-RRPNLBNLSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000224962299 571634330 /nfs/dbraw/zinc/63/43/30/571634330.db2.gz YGHTZOFRKVEQJG-LMSSTIIKSA-N 0 0 531.125 7.254 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224962971 571634370 /nfs/dbraw/zinc/63/43/70/571634370.db2.gz LWQPIDGSHUZBHY-SXOMAYOGSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224962997 571634388 /nfs/dbraw/zinc/63/43/88/571634388.db2.gz LWQPIDGSHUZBHY-RRPNLBNLSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000224963301 571634416 /nfs/dbraw/zinc/63/44/16/571634416.db2.gz CIEPIIPTAYSJLU-SXOMAYOGSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224963962 571634451 /nfs/dbraw/zinc/63/44/51/571634451.db2.gz XHTINXISZMFXSW-DQEYMECFSA-N 0 0 504.059 6.032 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224964041 571634500 /nfs/dbraw/zinc/63/45/00/571634500.db2.gz XHTINXISZMFXSW-LOSJGSFVSA-N 0 0 504.059 6.032 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224964174 571634529 /nfs/dbraw/zinc/63/45/29/571634529.db2.gz HZBNJEZBWBKVCB-FTJBHMTQSA-N 0 0 504.059 6.032 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224978463 571635652 /nfs/dbraw/zinc/63/56/52/571635652.db2.gz MUONJRIZFXPULF-VSJLXWSYSA-N 0 0 641.285 7.393 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224985841 571636470 /nfs/dbraw/zinc/63/64/70/571636470.db2.gz LBZLANMVOWPJNG-ZWXJPIIXSA-N 0 0 570.206 7.864 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224986581 571636523 /nfs/dbraw/zinc/63/65/23/571636523.db2.gz NIIXQAYNTDODNL-LQJZCPKCSA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224987338 571636620 /nfs/dbraw/zinc/63/66/20/571636620.db2.gz QFYQNRMWCDYFAR-FIRIVFDPSA-N 0 0 590.624 8.209 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000224988534 571636695 /nfs/dbraw/zinc/63/66/95/571636695.db2.gz JDJCXLLEGWXCSS-ROJLCIKYSA-N 0 0 586.205 7.565 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224990486 571636982 /nfs/dbraw/zinc/63/69/82/571636982.db2.gz RCFFQQSCRUHHLZ-WEZIJMHWSA-N 0 0 584.233 8.173 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992063 571637153 /nfs/dbraw/zinc/63/71/53/571637153.db2.gz WSVFXDPSSYJFAY-ZWXJPIIXSA-N 0 0 631.202 7.473 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992023 571637185 /nfs/dbraw/zinc/63/71/85/571637185.db2.gz WSVFXDPSSYJFAY-ROJLCIKYSA-N 0 0 631.202 7.473 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)c1 ZINC000225002874 571638248 /nfs/dbraw/zinc/63/82/48/571638248.db2.gz CQQWQXDXMGIVAQ-AJQTZOPKSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225006869 571638533 /nfs/dbraw/zinc/63/85/33/571638533.db2.gz ULPVCMUYWMFCAP-NSOVKSMOSA-N 0 0 501.700 5.241 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225041925 571641395 /nfs/dbraw/zinc/64/13/95/571641395.db2.gz CSVWWCOJNZEJMN-ZWXJPIIXSA-N 0 0 531.729 7.117 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225043260 571641451 /nfs/dbraw/zinc/64/14/51/571641451.db2.gz OCKRNYUIJQDEKV-LOYHVIPDSA-N 0 0 509.723 6.526 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225044310 571641565 /nfs/dbraw/zinc/64/15/65/571641565.db2.gz JMETYRPDDSLFQO-IZLXSDGUSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225044606 571641621 /nfs/dbraw/zinc/64/16/21/571641621.db2.gz WEDLDDXUEFQMSZ-VSGBNLITSA-N 0 0 560.565 6.726 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225045471 571641743 /nfs/dbraw/zinc/64/17/43/571641743.db2.gz WEFYPQCLXJYNTR-WDYNHAJCSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225046367 571641853 /nfs/dbraw/zinc/64/18/53/571641853.db2.gz ITZLXAISAFQQMH-XZWHSSHBSA-N 0 0 524.738 6.030 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225047159 571641945 /nfs/dbraw/zinc/64/19/45/571641945.db2.gz WHJBVZFEEWYBEU-LOYHVIPDSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225047918 571642000 /nfs/dbraw/zinc/64/20/00/571642000.db2.gz WPGIEMGJHIEOLJ-IGYGKHONSA-N 0 0 523.750 6.889 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225048063 571642045 /nfs/dbraw/zinc/64/20/45/571642045.db2.gz RJAKRBPKKQDRHZ-WDYNHAJCSA-N 0 0 530.141 6.926 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225060256 571643012 /nfs/dbraw/zinc/64/30/12/571643012.db2.gz YFCJVFVMGPUFCX-FQLXRVMXSA-N 0 0 539.705 5.750 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225060555 571643073 /nfs/dbraw/zinc/64/30/73/571643073.db2.gz PENBHNXXBDWBCO-VMPREFPWSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000225066119 571643579 /nfs/dbraw/zinc/64/35/79/571643579.db2.gz WZCJKSQEUJRSGO-ROJLCIKYSA-N 0 0 574.710 6.079 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000225071545 571644095 /nfs/dbraw/zinc/64/40/95/571644095.db2.gz COCMUVUFXSFCGE-NOCHOARKSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225071753 571644098 /nfs/dbraw/zinc/64/40/98/571644098.db2.gz MTXOGXHAQHGKOS-SZAHLOSFSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000225071616 571644142 /nfs/dbraw/zinc/64/41/42/571644142.db2.gz COCMUVUFXSFCGE-HEVIKAOCSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225071902 571644188 /nfs/dbraw/zinc/64/41/88/571644188.db2.gz JAUZRVKQEBDOTD-NOCHOARKSA-N 0 0 587.749 6.992 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225072481 571644231 /nfs/dbraw/zinc/64/42/31/571644231.db2.gz OTWOVGPOLQKJOE-OIDHKYIRSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225073998 571644386 /nfs/dbraw/zinc/64/43/86/571644386.db2.gz GCJKHWLHDLGLNA-JHOUSYSJSA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225075428 571644552 /nfs/dbraw/zinc/64/45/52/571644552.db2.gz RROSRKYGIGIANB-PXLJZGITSA-N 0 0 616.791 6.750 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075529 571644594 /nfs/dbraw/zinc/64/45/94/571644594.db2.gz QZQIHJWFYFVECQ-AARKOHAPSA-N 0 0 644.845 7.530 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225075849 571644605 /nfs/dbraw/zinc/64/46/05/571644605.db2.gz QAIBLTRZMBTJRD-CZNDPXEESA-N 0 0 642.612 7.991 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225076908 571644722 /nfs/dbraw/zinc/64/47/22/571644722.db2.gz FHCXOSOQEWPDPZ-VHFKIGOXSA-N 0 0 615.803 7.609 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077219 571644735 /nfs/dbraw/zinc/64/47/35/571644735.db2.gz UFCRXKMSTZVNCQ-KKLWWLSJSA-N 0 0 648.745 6.601 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077877 571644827 /nfs/dbraw/zinc/64/48/27/571644827.db2.gz FIQKWWIZSFOTPD-KKLWWLSJSA-N 0 0 638.193 7.346 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)(C)C ZINC000225094101 571646633 /nfs/dbraw/zinc/64/66/33/571646633.db2.gz XEHCQYMIVPMFJQ-WDYNHAJCSA-N 0 0 604.220 7.537 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101759 571647370 /nfs/dbraw/zinc/64/73/70/571647370.db2.gz QOKYFRQKTQNJGW-WDYNHAJCSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102816 571647437 /nfs/dbraw/zinc/64/74/37/571647437.db2.gz CIWCNJNOCLVKMR-FQLXRVMXSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102901 571647470 /nfs/dbraw/zinc/64/74/70/571647470.db2.gz JFPCBVQMFRFHQT-WDYNHAJCSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104571 571647657 /nfs/dbraw/zinc/64/76/57/571647657.db2.gz QJRKWCQJDCXNFD-VMPREFPWSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106066 571647804 /nfs/dbraw/zinc/64/78/04/571647804.db2.gz UGIVTMZDRHTRCM-LOYHVIPDSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NC(=O)C(C)(C)C ZINC000225117917 571649190 /nfs/dbraw/zinc/64/91/90/571649190.db2.gz PBKZMDKRCDPKNH-VSGBNLITSA-N 0 0 539.705 6.351 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225118640 571649217 /nfs/dbraw/zinc/64/92/17/571649217.db2.gz AQVPDQJHLIMNAZ-IHLOFXLRSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000225128542 571650050 /nfs/dbraw/zinc/65/00/50/571650050.db2.gz VOBICISRJUYTMQ-ZWXJPIIXSA-N 0 0 594.184 8.067 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225129807 571650149 /nfs/dbraw/zinc/65/01/49/571650149.db2.gz ATFYXQGMXIYWSS-NSOVKSMOSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000225131233 571650301 /nfs/dbraw/zinc/65/03/01/571650301.db2.gz SZCPUBLVOFETGS-WUFINQPMSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000225133517 571650459 /nfs/dbraw/zinc/65/04/59/571650459.db2.gz VUPMQRNVFCTPGL-XZWHSSHBSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000225133805 571650508 /nfs/dbraw/zinc/65/05/08/571650508.db2.gz PMEMZXMAZMHXJF-DGPALRBDSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000225133772 571650514 /nfs/dbraw/zinc/65/05/14/571650514.db2.gz PMEMZXMAZMHXJF-PQHLKRTFSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225134234 571650563 /nfs/dbraw/zinc/65/05/63/571650563.db2.gz IVRMQRKOCZUBMA-BVRKHOPBSA-N 0 0 586.205 7.839 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000225134696 571650578 /nfs/dbraw/zinc/65/05/78/571650578.db2.gz TXQJAZXGCKAXDM-FQLXRVMXSA-N 0 0 619.147 6.831 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225145981 571651936 /nfs/dbraw/zinc/65/19/36/571651936.db2.gz DHRVVRYOWFFQRZ-VMPREFPWSA-N 0 0 602.160 6.701 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225151855 571652552 /nfs/dbraw/zinc/65/25/52/571652552.db2.gz IEYGCCPGLBLJMW-WUFINQPMSA-N 0 0 510.667 5.718 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225153517 571652729 /nfs/dbraw/zinc/65/27/29/571652729.db2.gz QINNIEKSNABSDI-URLMMPGGSA-N 0 0 560.123 6.682 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225157132 571653016 /nfs/dbraw/zinc/65/30/16/571653016.db2.gz VGNDRVCCSMRRGI-IHLOFXLRSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1C ZINC000225157456 571653097 /nfs/dbraw/zinc/65/30/97/571653097.db2.gz NOFLOFHJPRPZDC-JSOSNVBQSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C ZINC000225158488 571653149 /nfs/dbraw/zinc/65/31/49/571653149.db2.gz RMHWUJVOMGOLNF-VMPREFPWSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225159178 571653168 /nfs/dbraw/zinc/65/31/68/571653168.db2.gz OIHRECLZMSIGFA-VMPREFPWSA-N 0 0 588.575 7.086 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225159347 571653213 /nfs/dbraw/zinc/65/32/13/571653213.db2.gz UTZDYZJQHRFAQI-VMPREFPWSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225161405 571653387 /nfs/dbraw/zinc/65/33/87/571653387.db2.gz KAPSTHUKYLEDBR-CONSDPRKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225161485 571653402 /nfs/dbraw/zinc/65/34/02/571653402.db2.gz KAPSTHUKYLEDBR-IOWSJCHKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225161692 571653433 /nfs/dbraw/zinc/65/34/33/571653433.db2.gz ZKZJRDIWMQJXFK-BVRKHOPBSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225164055 571653654 /nfs/dbraw/zinc/65/36/54/571653654.db2.gz XMFNSMLDTRUEHU-URLMMPGGSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225174063 571654509 /nfs/dbraw/zinc/65/45/09/571654509.db2.gz KIGSXODZEJUGEM-IHLOFXLRSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225174247 571654571 /nfs/dbraw/zinc/65/45/71/571654571.db2.gz JLZFKRWLFCWXCD-XZWHSSHBSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225174220 571654580 /nfs/dbraw/zinc/65/45/80/571654580.db2.gz JLZFKRWLFCWXCD-IHLOFXLRSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OC ZINC000225177783 571654942 /nfs/dbraw/zinc/65/49/42/571654942.db2.gz IPDWAVLNMLOEHV-WDYNHAJCSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000225185033 571655680 /nfs/dbraw/zinc/65/56/80/571655680.db2.gz DKUUJVJMYVOZPP-FQLXRVMXSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC ZINC000225185674 571655761 /nfs/dbraw/zinc/65/57/61/571655761.db2.gz QUBZJTFNCWISSE-FQLXRVMXSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1OC ZINC000225185953 571655796 /nfs/dbraw/zinc/65/57/96/571655796.db2.gz VHZZQTMTEUIACA-IOWSJCHKSA-N 0 0 553.732 6.586 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1OC ZINC000225186146 571655821 /nfs/dbraw/zinc/65/58/21/571655821.db2.gz LCFPVCMSAYICRM-FQLXRVMXSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC ZINC000225186631 571655892 /nfs/dbraw/zinc/65/58/92/571655892.db2.gz XCLUROUUQAOQAN-FQLXRVMXSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC ZINC000225187193 571655920 /nfs/dbraw/zinc/65/59/20/571655920.db2.gz PJVDZNSDERNUKJ-VMPREFPWSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1OC ZINC000225187942 571656029 /nfs/dbraw/zinc/65/60/29/571656029.db2.gz GMFZHTIBZXKMRG-XZWHSSHBSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC ZINC000225189098 571656120 /nfs/dbraw/zinc/65/61/20/571656120.db2.gz JSEWGIYDKIBXHH-WDYNHAJCSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC ZINC000225189181 571656123 /nfs/dbraw/zinc/65/61/23/571656123.db2.gz JSEWGIYDKIBXHH-FQLXRVMXSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC ZINC000225189807 571656208 /nfs/dbraw/zinc/65/62/08/571656208.db2.gz UACJMVYFXTWXRO-VEEOACQBSA-N 0 0 553.732 6.640 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1OC ZINC000225190377 571656261 /nfs/dbraw/zinc/65/62/61/571656261.db2.gz KBDGKWDOLMMASX-XDFJSJKPSA-N 0 0 567.759 6.949 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC ZINC000225190727 571656302 /nfs/dbraw/zinc/65/63/02/571656302.db2.gz KUZXFVSHRPDWQS-XZWHSSHBSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1OC ZINC000225191828 571656432 /nfs/dbraw/zinc/65/64/32/571656432.db2.gz NXKNIGFNYXPDPE-XLJNKUFUSA-N 0 0 567.759 6.894 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000225201974 571657379 /nfs/dbraw/zinc/65/73/79/571657379.db2.gz LZYBSLAAKLDGCI-VMPREFPWSA-N 0 0 541.677 5.724 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000225206032 571657879 /nfs/dbraw/zinc/65/78/79/571657879.db2.gz JDQGKJNHHLNHLV-NSOVKSMOSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000225207145 571657942 /nfs/dbraw/zinc/65/79/42/571657942.db2.gz OZHIKBMYOQAGFD-IZLXSDGUSA-N 0 0 527.694 5.475 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1 ZINC000225214698 571658674 /nfs/dbraw/zinc/65/86/74/571658674.db2.gz AHWJACQDLJJXNV-VSGBNLITSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000225215509 571658745 /nfs/dbraw/zinc/65/87/45/571658745.db2.gz VVJXRBCPZFDQBK-WUFINQPMSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 ZINC000225216360 571658853 /nfs/dbraw/zinc/65/88/53/571658853.db2.gz NKVMGOVDGLJYEB-URLMMPGGSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000225217856 571659007 /nfs/dbraw/zinc/65/90/07/571659007.db2.gz CVTBASQPXKJXCV-KYJUHHDHSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000225219766 571659239 /nfs/dbraw/zinc/65/92/39/571659239.db2.gz UHARTUKQUZENQA-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000225219938 571659282 /nfs/dbraw/zinc/65/92/82/571659282.db2.gz RYFSLJFNLSKUHX-WDYNHAJCSA-N 0 0 586.674 5.168 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225220064 571659290 /nfs/dbraw/zinc/65/92/90/571659290.db2.gz FNGJEVLPKAUZAX-BVRKHOPBSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000225230814 571660511 /nfs/dbraw/zinc/66/05/11/571660511.db2.gz HYULPJZXCRHBBD-URLMMPGGSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000225234165 571660784 /nfs/dbraw/zinc/66/07/84/571660784.db2.gz ZJYRNHBXRQHCAO-VSGBNLITSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000225234089 571660813 /nfs/dbraw/zinc/66/08/13/571660813.db2.gz ZJYRNHBXRQHCAO-IZLXSDGUSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000225235118 571660916 /nfs/dbraw/zinc/66/09/16/571660916.db2.gz GWEVAXOCOFRBGD-IZLXSDGUSA-N 0 0 562.139 6.129 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000225236267 571661067 /nfs/dbraw/zinc/66/10/67/571661067.db2.gz GBGMZRDURHOTCF-SXOMAYOGSA-N 0 0 547.084 5.300 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000225237947 571661266 /nfs/dbraw/zinc/66/12/66/571661266.db2.gz XXXQPPKOEAHLHJ-IZLXSDGUSA-N 0 0 596.540 6.264 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000225240595 571661497 /nfs/dbraw/zinc/66/14/97/571661497.db2.gz JTBYYSYAFXXQMG-ZWXJPIIXSA-N 0 0 596.156 7.058 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000225242272 571661739 /nfs/dbraw/zinc/66/17/39/571661739.db2.gz VUZQHGRXWISXHK-IZLXSDGUSA-N 0 0 564.086 6.044 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000225242791 571661821 /nfs/dbraw/zinc/66/18/21/571661821.db2.gz HKGTYCOJJYBNDH-WUFINQPMSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000225243207 571661857 /nfs/dbraw/zinc/66/18/57/571661857.db2.gz IYPKMYKIMYUXEC-IZLXSDGUSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000225243945 571661908 /nfs/dbraw/zinc/66/19/08/571661908.db2.gz MXYUGWOWTABIDH-VSGBNLITSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000225244176 571661947 /nfs/dbraw/zinc/66/19/47/571661947.db2.gz KMKAROAETQRDGC-VMPREFPWSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000225245645 571662083 /nfs/dbraw/zinc/66/20/83/571662083.db2.gz PVTRAGFILILILM-IHLOFXLRSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000225247017 571662215 /nfs/dbraw/zinc/66/22/15/571662215.db2.gz LFSQUWOIUDFWSI-FQLXRVMXSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000225257239 571663297 /nfs/dbraw/zinc/66/32/97/571663297.db2.gz AQHMJWJLXCNGRT-SXOMAYOGSA-N 0 0 532.069 5.596 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225267084 571664509 /nfs/dbraw/zinc/66/45/09/571664509.db2.gz VODLTEDUAPVKNP-CZNDPXEESA-N 0 0 575.738 6.713 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225268151 571664675 /nfs/dbraw/zinc/66/46/75/571664675.db2.gz WPUBMQHYFNMYAB-FQLXRVMXSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1C ZINC000225270250 571664898 /nfs/dbraw/zinc/66/48/98/571664898.db2.gz WBIHFNHDXSEWPN-IHLOFXLRSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225270397 571664921 /nfs/dbraw/zinc/66/49/21/571664921.db2.gz NBACDUAQUABRMR-IHLOFXLRSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225269932 571664924 /nfs/dbraw/zinc/66/49/24/571664924.db2.gz MAWQZTICZKGTSI-WDYNHAJCSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225272074 571665104 /nfs/dbraw/zinc/66/51/04/571665104.db2.gz JKFCPWVWQZCOAP-IGYGKHONSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225271832 571665146 /nfs/dbraw/zinc/66/51/46/571665146.db2.gz GMKHLACMFLJUGF-CONSDPRKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1C ZINC000225272584 571665157 /nfs/dbraw/zinc/66/51/57/571665157.db2.gz KXKMMMVGURBFLP-XDFJSJKPSA-N 0 0 567.759 6.485 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225272252 571665180 /nfs/dbraw/zinc/66/51/80/571665180.db2.gz VKOIDSNUIWQIGU-IOWSJCHKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225272911 571665217 /nfs/dbraw/zinc/66/52/17/571665217.db2.gz WKTMAHPUPBOCKJ-XZWHSSHBSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225273070 571665247 /nfs/dbraw/zinc/66/52/47/571665247.db2.gz LSKRNWLWKPPUEP-XZWHSSHBSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225273953 571665304 /nfs/dbraw/zinc/66/53/04/571665304.db2.gz BZLOMYFRIMBESM-VMPREFPWSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225273582 571665336 /nfs/dbraw/zinc/66/53/36/571665336.db2.gz ZRQXOQBPTVZYQP-LOYHVIPDSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225284363 571666386 /nfs/dbraw/zinc/66/63/86/571666386.db2.gz AJWWAGFWLZSHMA-IHLOFXLRSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1OC ZINC000225294581 571667713 /nfs/dbraw/zinc/66/77/13/571667713.db2.gz IIXPLJVKSWWXBD-LOYHVIPDSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1OC ZINC000225296195 571667981 /nfs/dbraw/zinc/66/79/81/571667981.db2.gz ANFIZWCAOWJELR-VMPREFPWSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1OC ZINC000225296108 571668009 /nfs/dbraw/zinc/66/80/09/571668009.db2.gz OXRYWCOKGBVWSI-VMPREFPWSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1OC ZINC000225297058 571668119 /nfs/dbraw/zinc/66/81/19/571668119.db2.gz HFRRUIYCIOHXKU-CONSDPRKSA-N 0 0 584.746 5.326 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1OC ZINC000225298121 571668280 /nfs/dbraw/zinc/66/82/80/571668280.db2.gz AQUIIMBXYXWTHP-VMPREFPWSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1OC ZINC000225298180 571668287 /nfs/dbraw/zinc/66/82/87/571668287.db2.gz AQUIIMBXYXWTHP-URLMMPGGSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)ccc1OC ZINC000225299614 571668496 /nfs/dbraw/zinc/66/84/96/571668496.db2.gz ZCGDAZDJJUBTMH-KYJUHHDHSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)ccc1OC ZINC000225299679 571668514 /nfs/dbraw/zinc/66/85/14/571668514.db2.gz ZCGDAZDJJUBTMH-XZWHSSHBSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1OC ZINC000225299800 571668538 /nfs/dbraw/zinc/66/85/38/571668538.db2.gz FPNWETHSQAVUPN-IHLOFXLRSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1OC ZINC000225299888 571668553 /nfs/dbraw/zinc/66/85/53/571668553.db2.gz FPNWETHSQAVUPN-LOYHVIPDSA-N 0 0 590.149 6.222 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1OC ZINC000225300298 571668613 /nfs/dbraw/zinc/66/86/13/571668613.db2.gz YBEJGKUJBDVISA-XZWHSSHBSA-N 0 0 616.700 5.177 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225315450 571671323 /nfs/dbraw/zinc/67/13/23/571671323.db2.gz DUYAOBFULUYVNH-UHFFFAOYSA-N 0 0 514.091 5.315 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225318836 571672570 /nfs/dbraw/zinc/67/25/70/571672570.db2.gz YFFMXYWDOGDUJG-LOYHVIPDSA-N 0 0 539.705 6.196 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NC(C)=O ZINC000225319275 571673168 /nfs/dbraw/zinc/67/31/68/571673168.db2.gz CMIFUKXPJCWJKY-IZLXSDGUSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NC(C)=O ZINC000225319448 571673187 /nfs/dbraw/zinc/67/31/87/571673187.db2.gz SUYUCFNQINRORV-NSOVKSMOSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O ZINC000225319612 571673844 /nfs/dbraw/zinc/67/38/44/571673844.db2.gz PLOUCHRSSXKGEZ-IZLXSDGUSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NC(C)=O ZINC000225319533 571673900 /nfs/dbraw/zinc/67/39/00/571673900.db2.gz RXHRTIUUEIISQN-NSOVKSMOSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O ZINC000225319596 571673938 /nfs/dbraw/zinc/67/39/38/571673938.db2.gz PLOUCHRSSXKGEZ-NSOVKSMOSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NC(C)=O ZINC000225319977 571674846 /nfs/dbraw/zinc/67/48/46/571674846.db2.gz JRIQDACOPIVELN-VSGBNLITSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NC(C)=O ZINC000225321208 571676757 /nfs/dbraw/zinc/67/67/57/571676757.db2.gz YXOMIBFUPUCIGE-WUFINQPMSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NC(C)=O ZINC000225321354 571676883 /nfs/dbraw/zinc/67/68/83/571676883.db2.gz LPSZOAIFRDUMFL-XZWHSSHBSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NC(C)=O ZINC000225321983 571677554 /nfs/dbraw/zinc/67/75/54/571677554.db2.gz MPFNQBLVWMGYAF-URLMMPGGSA-N 0 0 555.660 5.362 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NC(C)=O ZINC000225322372 571677970 /nfs/dbraw/zinc/67/79/70/571677970.db2.gz QZQPUVJWDUQXSB-VMPREFPWSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NC(C)=O ZINC000225322293 571678014 /nfs/dbraw/zinc/67/80/14/571678014.db2.gz WVCYBQJTBUKGAT-URLMMPGGSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NC(C)=O ZINC000225322410 571678166 /nfs/dbraw/zinc/67/81/66/571678166.db2.gz QZQPUVJWDUQXSB-WDYNHAJCSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NC(C)=O ZINC000225322773 571678645 /nfs/dbraw/zinc/67/86/45/571678645.db2.gz GAFUSVJLPMIGMK-URLMMPGGSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NC(C)=O ZINC000225323077 571679067 /nfs/dbraw/zinc/67/90/67/571679067.db2.gz FEXUKFVMXLWJFS-URLMMPGGSA-N 0 0 576.122 6.295 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NC(C)=O ZINC000225323574 571679562 /nfs/dbraw/zinc/67/95/62/571679562.db2.gz ASKXZEWLZVTBJG-VSGBNLITSA-N 0 0 526.666 5.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225336134 571694092 /nfs/dbraw/zinc/69/40/92/571694092.db2.gz IDEMLFXNNNERIT-ZWXJPIIXSA-N 0 0 567.759 6.290 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225342195 571701269 /nfs/dbraw/zinc/70/12/69/571701269.db2.gz IVOFIGTXHDLSKI-AJQTZOPKSA-N 0 0 532.713 7.607 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225343290 571702449 /nfs/dbraw/zinc/70/24/49/571702449.db2.gz GHWZEZDWALPOOO-IZLXSDGUSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225343953 571703409 /nfs/dbraw/zinc/70/34/09/571703409.db2.gz HAAQTHDJNJSANU-NSOVKSMOSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225344454 571704006 /nfs/dbraw/zinc/70/40/06/571704006.db2.gz ORUGTFYBAYOQFI-IZLXSDGUSA-N 0 0 517.098 7.107 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225345376 571705286 /nfs/dbraw/zinc/70/52/86/571705286.db2.gz HAGFTQNZXWRHEI-WDYNHAJCSA-N 0 0 512.679 6.462 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225346454 571706355 /nfs/dbraw/zinc/70/63/55/571706355.db2.gz YHYAFIJHPRRQCC-VSGBNLITSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225346792 571706759 /nfs/dbraw/zinc/70/67/59/571706759.db2.gz MLHWBSKBLUCFGO-LOYHVIPDSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225346737 571706793 /nfs/dbraw/zinc/70/67/93/571706793.db2.gz CUJGRHHOJNGWNR-NSOVKSMOSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225346952 571707007 /nfs/dbraw/zinc/70/70/07/571707007.db2.gz FKRKLWSMHBYMIO-LOYHVIPDSA-N 0 0 510.707 7.070 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225347962 571708283 /nfs/dbraw/zinc/70/82/83/571708283.db2.gz LFJDHRYBBYZWOX-WDYNHAJCSA-N 0 0 557.676 6.370 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225348232 571709068 /nfs/dbraw/zinc/70/90/68/571709068.db2.gz AQVHPNBEGBEXAQ-FQLXRVMXSA-N 0 0 531.125 7.415 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225369118 571733986 /nfs/dbraw/zinc/73/39/86/571733986.db2.gz CVPGOMGQJWCHMA-IHLOFXLRSA-N 0 0 576.688 8.006 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225369397 571734152 /nfs/dbraw/zinc/73/41/52/571734152.db2.gz GFGRTVLRXBTWFM-ROJLCIKYSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225369795 571734501 /nfs/dbraw/zinc/73/45/01/571734501.db2.gz GVLKINLYPAGEKZ-KYJUHHDHSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225371187 571736119 /nfs/dbraw/zinc/73/61/19/571736119.db2.gz GBUBGMFSZSBXFO-KYJUHHDHSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225372351 571737842 /nfs/dbraw/zinc/73/78/42/571737842.db2.gz WRBDPVZICBCQOK-KYJUHHDHSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225372499 571737873 /nfs/dbraw/zinc/73/78/73/571737873.db2.gz KHZWVKNZTIQQID-KYJUHHDHSA-N 0 0 577.581 8.294 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000225372878 571738634 /nfs/dbraw/zinc/73/86/34/571738634.db2.gz PFQMAYCJCDNBEA-BHYZAODMSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225373024 571739212 /nfs/dbraw/zinc/73/92/12/571739212.db2.gz QAIWKJAOUGHJNK-ZWXJPIIXSA-N 0 0 536.745 7.604 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374392 571740601 /nfs/dbraw/zinc/74/06/01/571740601.db2.gz VVIGOZDQWCGSDT-IOWSJCHKSA-N 0 0 583.714 6.904 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ncccc1C ZINC000225374817 571741075 /nfs/dbraw/zinc/74/10/75/571741075.db2.gz ZDDYJJUYEVWVCC-URLMMPGGSA-N 0 0 523.706 6.691 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225374992 571741159 /nfs/dbraw/zinc/74/11/59/571741159.db2.gz FRRGEPUAANFGOA-KYJUHHDHSA-N 0 0 523.706 6.691 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225382865 571750889 /nfs/dbraw/zinc/75/08/89/571750889.db2.gz IWWDTTYXLVNTLY-XZWHSSHBSA-N 0 0 524.690 6.688 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260851123 571751319 /nfs/dbraw/zinc/75/13/19/571751319.db2.gz GHLGMONVYDEZFF-FQLXRVMXSA-N 0 0 525.722 6.023 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851238 571751343 /nfs/dbraw/zinc/75/13/43/571751343.db2.gz KUJDTVLXPUMPPR-FTJBHMTQSA-N 0 0 533.723 5.262 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851172 571751495 /nfs/dbraw/zinc/75/14/95/571751495.db2.gz HUPYIVHSLOUPJW-XZWHSSHBSA-N 0 0 574.194 6.930 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260851315 571751838 /nfs/dbraw/zinc/75/18/38/571751838.db2.gz OZHIKBMYOQAGFD-WUFINQPMSA-N 0 0 527.694 5.475 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000260852503 571752773 /nfs/dbraw/zinc/75/27/73/571752773.db2.gz QKLVXNISBIVIBA-RRPNLBNLSA-N 0 0 582.195 6.224 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000260852565 571752874 /nfs/dbraw/zinc/75/28/74/571752874.db2.gz RZYZPQZUBHPGJT-NSOVKSMOSA-N 0 0 511.695 5.715 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260852657 571753395 /nfs/dbraw/zinc/75/33/95/571753395.db2.gz WBPGHEPUOPPMHQ-KYJUHHDHSA-N 0 0 524.734 7.212 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21 ZINC000260852669 571753473 /nfs/dbraw/zinc/75/34/73/571753473.db2.gz WEEZSWKSEHWYJH-SXOMAYOGSA-N 0 0 532.113 5.978 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260852631 571753497 /nfs/dbraw/zinc/75/34/97/571753497.db2.gz VBXFRVHLIPXLKN-WUFINQPMSA-N 0 0 564.130 6.507 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225393970 571762846 /nfs/dbraw/zinc/76/28/46/571762846.db2.gz BHQPIBYGFTZNCW-IZZNHLLZSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000225394749 571763859 /nfs/dbraw/zinc/76/38/59/571763859.db2.gz ZYARCDUEKKKSNU-UIOOFZCWSA-N 0 0 535.670 5.177 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225396692 571766703 /nfs/dbraw/zinc/76/67/03/571766703.db2.gz XPKJJXGAFHLWJK-SVBPBHIXSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225397401 571767206 /nfs/dbraw/zinc/76/72/06/571767206.db2.gz IFAVRXOQIQAIKY-NSOVKSMOSA-N 0 0 560.749 5.104 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1C ZINC000225398032 571767794 /nfs/dbraw/zinc/76/77/94/571767794.db2.gz LSCPHTTYRFZVRT-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cccc1C ZINC000225398438 571768178 /nfs/dbraw/zinc/76/81/78/571768178.db2.gz OLWYKBHMWAGCJN-IAPPQJPRSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1C ZINC000225398114 571768422 /nfs/dbraw/zinc/76/84/22/571768422.db2.gz LSCPHTTYRFZVRT-WUFINQPMSA-N 0 0 545.734 5.655 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000225399252 571768828 /nfs/dbraw/zinc/76/88/28/571768828.db2.gz IOXPERPUEVZTOL-UHFFFAOYSA-N 0 0 534.509 5.736 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225399848 571769451 /nfs/dbraw/zinc/76/94/51/571769451.db2.gz MHTHEZMPHFDPSP-SVBPBHIXSA-N 0 0 566.152 6.000 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400598 571770501 /nfs/dbraw/zinc/77/05/01/571770501.db2.gz ZHYSEVRESWOEKB-YTMVLYRLSA-N 0 0 559.761 5.909 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400510 571770521 /nfs/dbraw/zinc/77/05/21/571770521.db2.gz ZHYSEVRESWOEKB-PXJZQJOASA-N 0 0 559.761 5.909 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NS(C)(=O)=O ZINC000225424890 571791133 /nfs/dbraw/zinc/79/11/33/571791133.db2.gz OCNQWCVRGSREBY-SVBPBHIXSA-N 0 0 615.703 6.065 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225425060 571791443 /nfs/dbraw/zinc/79/14/43/571791443.db2.gz QBMZKSZWOVUCKW-FQLXRVMXSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NS(C)(=O)=O ZINC000225426451 571793007 /nfs/dbraw/zinc/79/30/07/571793007.db2.gz JUQJBSIPFIGCAX-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427494 571793919 /nfs/dbraw/zinc/79/39/19/571793919.db2.gz YBDSGDRMWJZJJU-IZLXSDGUSA-N 0 0 577.732 5.055 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225446201 571817945 /nfs/dbraw/zinc/81/79/45/571817945.db2.gz BYCQSQJZDHGYKZ-CONSDPRKSA-N 0 0 616.813 5.183 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225452176 571823555 /nfs/dbraw/zinc/82/35/55/571823555.db2.gz AAPKVMSKZAZWHC-IOWSJCHKSA-N 0 0 581.767 6.499 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C ZINC000225452748 571824367 /nfs/dbraw/zinc/82/43/67/571824367.db2.gz LFIAEPGSROMQQD-VSGBNLITSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225453270 571824973 /nfs/dbraw/zinc/82/49/73/571824973.db2.gz OLYJLCSLXHGRRM-SXOMAYOGSA-N 0 0 599.704 6.365 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225454042 571825504 /nfs/dbraw/zinc/82/55/04/571825504.db2.gz OSBJFKOEFWUQDW-KAYWLYCHSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225454081 571825712 /nfs/dbraw/zinc/82/57/12/571825712.db2.gz OSBJFKOEFWUQDW-SXOMAYOGSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000225454269 571826115 /nfs/dbraw/zinc/82/61/15/571826115.db2.gz LHVJKHMWJHPTOS-RRPNLBNLSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1O ZINC000225455237 571826782 /nfs/dbraw/zinc/82/67/82/571826782.db2.gz ZYKYVJUOPDBVPB-RRPNLBNLSA-N 0 0 547.706 5.052 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225457257 571829175 /nfs/dbraw/zinc/82/91/75/571829175.db2.gz ANHCEASDDYSABP-PXJZQJOASA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225458110 571829956 /nfs/dbraw/zinc/82/99/56/571829956.db2.gz PYSPAFDZTFLASI-WUFINQPMSA-N 0 0 580.179 6.308 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225468478 571839767 /nfs/dbraw/zinc/83/97/67/571839767.db2.gz BGEBGGGMFHGOCC-VSGBNLITSA-N 0 0 589.743 5.133 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260911819 571840780 /nfs/dbraw/zinc/84/07/80/571840780.db2.gz DHFYIGUXNSEDNJ-RRPNLBNLSA-N 0 0 519.114 6.943 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000260911956 571841127 /nfs/dbraw/zinc/84/11/27/571841127.db2.gz DKIWENXQQRHBJV-DOMDLIBDSA-N 0 0 586.205 7.502 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260912096 571841171 /nfs/dbraw/zinc/84/11/71/571841171.db2.gz DYUXFYCZGHTFKM-JSOSNVBQSA-N 0 0 593.778 7.950 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000260914416 571844329 /nfs/dbraw/zinc/84/43/29/571844329.db2.gz GRNXKFBMLKYBIE-GNTSNBFWSA-N 0 0 584.233 8.110 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260914216 571844375 /nfs/dbraw/zinc/84/43/75/571844375.db2.gz GBISXMSNDUHQMU-JSOSNVBQSA-N 0 0 532.713 7.683 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260916291 571847948 /nfs/dbraw/zinc/84/79/48/571847948.db2.gz IJCRDVIJTFQWRG-RRPNLBNLSA-N 0 0 532.113 6.502 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NS(C)(=O)=O ZINC000225478912 571849166 /nfs/dbraw/zinc/84/91/66/571849166.db2.gz AGAVMSARTKQLHK-SXOMAYOGSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000260917966 571851528 /nfs/dbraw/zinc/85/15/28/571851528.db2.gz KGCPQDZDUYFZHS-JYBFMWMBSA-N 0 0 585.221 7.505 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225481528 571852133 /nfs/dbraw/zinc/85/21/33/571852133.db2.gz NIOAVDBXIOKFDZ-WUFINQPMSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482180 571853043 /nfs/dbraw/zinc/85/30/43/571853043.db2.gz DTIUMPALDFIDPV-FQLXRVMXSA-N 0 0 590.775 5.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c(OC)c1 ZINC000260919522 571853604 /nfs/dbraw/zinc/85/36/04/571853604.db2.gz LWUZAYIKCUVRCC-RRPNLBNLSA-N 0 0 500.668 5.908 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NS(C)(=O)=O ZINC000225483386 571853879 /nfs/dbraw/zinc/85/38/79/571853879.db2.gz QUYQFUIKLBKFMG-MFMCTBQISA-N 0 0 589.787 5.972 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483962 571854843 /nfs/dbraw/zinc/85/48/43/571854843.db2.gz CZBJOAHOZPGQIY-WUFINQPMSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260920980 571855965 /nfs/dbraw/zinc/85/59/65/571855965.db2.gz NWNXHPVGJZDYQX-IZZNHLLZSA-N 0 0 539.532 7.206 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 ZINC000260924222 571862317 /nfs/dbraw/zinc/86/23/17/571862317.db2.gz SEZHOYUJKJCKBY-RYRVMRHHSA-N 0 0 503.716 5.487 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260925556 571864578 /nfs/dbraw/zinc/86/45/78/571864578.db2.gz VLDRLQRYQVHVEK-JSOSNVBQSA-N 0 0 628.223 8.603 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)C ZINC000260925515 571864625 /nfs/dbraw/zinc/86/46/25/571864625.db2.gz UWBRFBWMARZSAC-FQLXRVMXSA-N 0 0 574.194 7.447 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)C ZINC000260925516 571864656 /nfs/dbraw/zinc/86/46/56/571864656.db2.gz UWBRFBWMARZSAC-URLMMPGGSA-N 0 0 574.194 7.447 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260925628 571865189 /nfs/dbraw/zinc/86/51/89/571865189.db2.gz WHTHMBIODHWUPK-LOSJGSFVSA-N 0 0 553.957 7.306 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225503844 571874271 /nfs/dbraw/zinc/87/42/71/571874271.db2.gz SZUAIQFLJVMQNJ-KAYWLYCHSA-N 0 0 549.622 6.119 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506904 571877645 /nfs/dbraw/zinc/87/76/45/571877645.db2.gz GVVFBGHZUDTUEQ-IOWSJCHKSA-N 0 0 552.748 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225507581 571878624 /nfs/dbraw/zinc/87/86/24/571878624.db2.gz VDPDLJZNGIEBTB-XRKRLSELSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225508198 571879498 /nfs/dbraw/zinc/87/94/98/571879498.db2.gz ORMDMCLKDLXSGO-IZLXSDGUSA-N 0 0 530.097 6.062 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225508622 571879940 /nfs/dbraw/zinc/87/99/40/571879940.db2.gz UKHNNWJYYTYHIX-VSGBNLITSA-N 0 0 530.097 6.062 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225508716 571880033 /nfs/dbraw/zinc/88/00/33/571880033.db2.gz UKHNNWJYYTYHIX-NSOVKSMOSA-N 0 0 530.097 6.062 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C ZINC000225527863 571894463 /nfs/dbraw/zinc/89/44/63/571894463.db2.gz CZXYXLWJCVCKDX-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225529084 571895897 /nfs/dbraw/zinc/89/58/97/571895897.db2.gz KDCMIZSYQKOXRK-VSGBNLITSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225530380 571897217 /nfs/dbraw/zinc/89/72/17/571897217.db2.gz AFEJOIUYYUIZSN-WUFINQPMSA-N 0 0 564.542 6.797 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530144 571897290 /nfs/dbraw/zinc/89/72/90/571897290.db2.gz SCMSIGMQUPWAHE-ZWXJPIIXSA-N 0 0 566.775 6.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225530360 571897353 /nfs/dbraw/zinc/89/73/53/571897353.db2.gz AFEJOIUYYUIZSN-IZLXSDGUSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225530810 571897741 /nfs/dbraw/zinc/89/77/41/571897741.db2.gz DEVQWPWVBQGESX-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531264 571898154 /nfs/dbraw/zinc/89/81/54/571898154.db2.gz FRSMQUZKQNWICC-URLMMPGGSA-N 0 0 570.675 5.407 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225531540 571898258 /nfs/dbraw/zinc/89/82/58/571898258.db2.gz LXYAZXAMSVASMY-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531952 571898765 /nfs/dbraw/zinc/89/87/65/571898765.db2.gz RHHUIHVAHPADTD-BVRKHOPBSA-N 0 0 537.733 6.361 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225539867 571905435 /nfs/dbraw/zinc/90/54/35/571905435.db2.gz IWZRXSGLSCXVQJ-URLMMPGGSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225542371 571907291 /nfs/dbraw/zinc/90/72/91/571907291.db2.gz BMLZRFGHWCHQFY-XZWHSSHBSA-N 0 0 591.703 7.072 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225548011 571910995 /nfs/dbraw/zinc/91/09/95/571910995.db2.gz QXJADVDPMIVAST-LOYHVIPDSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225547548 571911020 /nfs/dbraw/zinc/91/10/20/571911020.db2.gz SILVSWUNELYHBJ-NOCHOARKSA-N 0 0 573.766 7.206 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225549658 571912126 /nfs/dbraw/zinc/91/21/26/571912126.db2.gz FEFAJQXSAQYIIS-XZWHSSHBSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225549984 571912669 /nfs/dbraw/zinc/91/26/69/571912669.db2.gz CKFTZNOFKXCPIQ-LOYHVIPDSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000225552812 571915948 /nfs/dbraw/zinc/91/59/48/571915948.db2.gz ATFMTTLHNIUQJT-IOWSJCHKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225570166 571931858 /nfs/dbraw/zinc/93/18/58/571931858.db2.gz APPDSYAPYHOJPK-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225570427 571931974 /nfs/dbraw/zinc/93/19/74/571931974.db2.gz IXNAOZUZMCIQCM-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225570519 571932063 /nfs/dbraw/zinc/93/20/63/571932063.db2.gz IXNAOZUZMCIQCM-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Cl ZINC000225570731 571932401 /nfs/dbraw/zinc/93/24/01/571932401.db2.gz FLHVHSMHZXAUIW-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225572460 571933506 /nfs/dbraw/zinc/93/35/06/571933506.db2.gz FVEUOVVPDRFXLE-CONSDPRKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225573087 571934052 /nfs/dbraw/zinc/93/40/52/571934052.db2.gz PTVDVXONPGHYKK-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225573252 571934086 /nfs/dbraw/zinc/93/40/86/571934086.db2.gz OKYMYWPVBOPWDQ-IGYGKHONSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225573768 571934304 /nfs/dbraw/zinc/93/43/04/571934304.db2.gz PIWLNYYZAZPXCO-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225573586 571934317 /nfs/dbraw/zinc/93/43/17/571934317.db2.gz IFBCTOWQUSQWET-BHYZAODMSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225573467 571934436 /nfs/dbraw/zinc/93/44/36/571934436.db2.gz QIVYHRINOBVLMG-IHLOFXLRSA-N 0 0 553.688 5.528 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574528 571935084 /nfs/dbraw/zinc/93/50/84/571935084.db2.gz LDVRSMGIQKBIGT-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225582672 571941652 /nfs/dbraw/zinc/94/16/52/571941652.db2.gz IWVASXGOEMQWKF-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225590347 571946623 /nfs/dbraw/zinc/94/66/23/571946623.db2.gz BMFUSMCMSPWUQJ-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225590445 571946783 /nfs/dbraw/zinc/94/67/83/571946783.db2.gz KZWUODKLJZHNJM-IZLXSDGUSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225591145 571947432 /nfs/dbraw/zinc/94/74/32/571947432.db2.gz MWXYEBZUFBQEEK-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225591475 571947435 /nfs/dbraw/zinc/94/74/35/571947435.db2.gz AYUZVWFXVIBLAE-NSOVKSMOSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225591112 571947443 /nfs/dbraw/zinc/94/74/43/571947443.db2.gz MWXYEBZUFBQEEK-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225591908 571947701 /nfs/dbraw/zinc/94/77/01/571947701.db2.gz LRCQAXFYVREZQL-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225591939 571947713 /nfs/dbraw/zinc/94/77/13/571947713.db2.gz LRCQAXFYVREZQL-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1O ZINC000225592081 571947908 /nfs/dbraw/zinc/94/79/08/571947908.db2.gz HSPZHYAXIVFANO-IZLXSDGUSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225592336 571947994 /nfs/dbraw/zinc/94/79/94/571947994.db2.gz SNWKQWWEMBEJPV-FQLXRVMXSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1C ZINC000225593569 571949276 /nfs/dbraw/zinc/94/92/76/571949276.db2.gz RVEJBNDTUDDNBC-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225593398 571949357 /nfs/dbraw/zinc/94/93/57/571949357.db2.gz KTTNMRGKBJSLSF-NSOVKSMOSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225594205 571949558 /nfs/dbraw/zinc/94/95/58/571949558.db2.gz GUTIHICPBLKKOF-VMPREFPWSA-N 0 0 557.651 5.358 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225594039 571949584 /nfs/dbraw/zinc/94/95/84/571949584.db2.gz BRYNLKNARSGZPN-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225594589 571949845 /nfs/dbraw/zinc/94/98/45/571949845.db2.gz ZCVGCNUCSBYJQN-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225594723 571949990 /nfs/dbraw/zinc/94/99/90/571949990.db2.gz ZGCPUMRIYWVKCA-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225594860 571950067 /nfs/dbraw/zinc/95/00/67/571950067.db2.gz MUMJFCDALZHVSR-URLMMPGGSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595121 571950358 /nfs/dbraw/zinc/95/03/58/571950358.db2.gz LFVNBGBBOLXUAX-URLMMPGGSA-N 0 0 578.113 6.292 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225606006 571958769 /nfs/dbraw/zinc/95/87/69/571958769.db2.gz AOGKYWAHSQBDBP-WUFINQPMSA-N 0 0 581.639 6.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1 ZINC000225607659 571959788 /nfs/dbraw/zinc/95/97/88/571959788.db2.gz YFMUDKUDKDODIO-SXOMAYOGSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1 ZINC000225607710 571959979 /nfs/dbraw/zinc/95/99/79/571959979.db2.gz YFMUDKUDKDODIO-SVBPBHIXSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cc1 ZINC000225610997 571962967 /nfs/dbraw/zinc/96/29/67/571962967.db2.gz FTGMKNGULKECHD-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000225611023 571962972 /nfs/dbraw/zinc/96/29/72/571962972.db2.gz JTRBKDRPYZFBEV-UHFFFAOYSA-N 0 0 519.589 5.063 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC000225610828 571962980 /nfs/dbraw/zinc/96/29/80/571962980.db2.gz IYQUYAFMFKSYCM-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225611231 571963261 /nfs/dbraw/zinc/96/32/61/571963261.db2.gz QYATUNZZLPXUER-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1 ZINC000225611885 571963666 /nfs/dbraw/zinc/96/36/66/571963666.db2.gz MLAZZUAOTCUCDK-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000225612003 571963790 /nfs/dbraw/zinc/96/37/90/571963790.db2.gz XNMVSMYRHJHQCA-VSGBNLITSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl ZINC000225613578 571965063 /nfs/dbraw/zinc/96/50/63/571965063.db2.gz XYTUQJBGGHBICL-VSGBNLITSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cc(C)cc1C ZINC000225614612 571965572 /nfs/dbraw/zinc/96/55/72/571965572.db2.gz JRKBOLCVZPCNJC-SMCANUKXSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccn1 ZINC000225615705 571966273 /nfs/dbraw/zinc/96/62/73/571966273.db2.gz RUJYEZXWNSTBML-WUFINQPMSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ncccc1C ZINC000225615800 571966544 /nfs/dbraw/zinc/96/65/44/571966544.db2.gz UBKDQKNGTQGOPD-SXOMAYOGSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225622414 571973330 /nfs/dbraw/zinc/97/33/30/571973330.db2.gz JLZFMOGNWKCTPW-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1 ZINC000225628773 571980513 /nfs/dbraw/zinc/98/05/13/571980513.db2.gz RQQFXFZAIMAZRN-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C ZINC000225628858 571980838 /nfs/dbraw/zinc/98/08/38/571980838.db2.gz OPLQJFUYZPGRBK-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225629263 571981407 /nfs/dbraw/zinc/98/14/07/571981407.db2.gz RVSILIYDJFXCPJ-ROJLCIKYSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225629957 571981948 /nfs/dbraw/zinc/98/19/48/571981948.db2.gz OTDSFDAQLYPAIZ-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631377 571983734 /nfs/dbraw/zinc/98/37/34/571983734.db2.gz VKQQNLNDSAWFLX-HEVIKAOCSA-N 0 0 594.829 6.953 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225632023 571984083 /nfs/dbraw/zinc/98/40/83/571984083.db2.gz SPVOBWJCDAFCBW-ACHIHNKUSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225631803 571984178 /nfs/dbraw/zinc/98/41/78/571984178.db2.gz HXUBXOBVICTGNK-ACHIHNKUSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632402 571984525 /nfs/dbraw/zinc/98/45/25/571984525.db2.gz LVEYIVWFMUJUPV-FIRIVFDPSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ncccc1C ZINC000225633314 571985009 /nfs/dbraw/zinc/98/50/09/571985009.db2.gz DUAYGPWXHKYDTM-WDYNHAJCSA-N 0 0 538.721 5.811 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632859 571985032 /nfs/dbraw/zinc/98/50/32/571985032.db2.gz RJZNYAKTSXWRJY-JSOSNVBQSA-N 0 0 588.177 6.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000225646397 571995175 /nfs/dbraw/zinc/99/51/75/571995175.db2.gz KJCHXVIWWOEKSK-WDYNHAJCSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225646705 571995694 /nfs/dbraw/zinc/99/56/94/571995694.db2.gz SUANQRVUIMGGFC-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000225647327 571995994 /nfs/dbraw/zinc/99/59/94/571995994.db2.gz PRNMYQYHFPNYDU-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000225647816 571996367 /nfs/dbraw/zinc/99/63/67/571996367.db2.gz WZHDMFIPWGONFM-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225647524 571996535 /nfs/dbraw/zinc/99/65/35/571996535.db2.gz UINABKBJZVNCGS-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648446 571997420 /nfs/dbraw/zinc/99/74/20/571997420.db2.gz CWJLRIDANAKEEV-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1C ZINC000225649344 571998178 /nfs/dbraw/zinc/99/81/78/571998178.db2.gz CNHCNLCOFKQZNH-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225649912 571998436 /nfs/dbraw/zinc/99/84/36/571998436.db2.gz KQLYYCUQARHVPI-XLJNKUFUSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225650013 571998584 /nfs/dbraw/zinc/99/85/84/571998584.db2.gz IYNONTTYZTUGPU-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225661136 572006252 /nfs/dbraw/zinc/00/62/52/572006252.db2.gz GOGWGMIQBQCLRE-VMPREFPWSA-N 0 0 576.166 6.377 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225665968 572009053 /nfs/dbraw/zinc/00/90/53/572009053.db2.gz WTDJGFQOIUSIQL-FQLXRVMXSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225665906 572009083 /nfs/dbraw/zinc/00/90/83/572009083.db2.gz WTDJGFQOIUSIQL-WDYNHAJCSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225665844 572009140 /nfs/dbraw/zinc/00/91/40/572009140.db2.gz VATKVUZBTFXCJE-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000225666546 572009344 /nfs/dbraw/zinc/00/93/44/572009344.db2.gz GNIJGCDRHGLBRH-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225666883 572009487 /nfs/dbraw/zinc/00/94/87/572009487.db2.gz DEQZSALWPJEJEH-WDYNHAJCSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225667593 572009941 /nfs/dbraw/zinc/00/99/41/572009941.db2.gz JWRABYOWJQIADW-LOYHVIPDSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225668532 572010263 /nfs/dbraw/zinc/01/02/63/572010263.db2.gz DCZCDHCAGIALGD-WDYNHAJCSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000225670139 572011539 /nfs/dbraw/zinc/01/15/39/572011539.db2.gz XWHKDAYMCPLXFX-KYJUHHDHSA-N 0 0 590.149 6.161 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225670311 572011835 /nfs/dbraw/zinc/01/18/35/572011835.db2.gz VTLKQQWHZVJSAI-XZWHSSHBSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225670672 572011847 /nfs/dbraw/zinc/01/18/47/572011847.db2.gz DZRYSCBTOLGUDZ-IZLXSDGUSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225670288 572011922 /nfs/dbraw/zinc/01/19/22/572011922.db2.gz VTLKQQWHZVJSAI-IHLOFXLRSA-N 0 0 600.701 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225680403 572018679 /nfs/dbraw/zinc/01/86/79/572018679.db2.gz ZOSPGLPLPFBYPS-LQJZCPKCSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000225685291 572021576 /nfs/dbraw/zinc/02/15/76/572021576.db2.gz LLHKYMVAHKMQQG-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C ZINC000225685208 572021636 /nfs/dbraw/zinc/02/16/36/572021636.db2.gz NYAMJAJDNNHLEL-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225685679 572022004 /nfs/dbraw/zinc/02/20/04/572022004.db2.gz GHASXFWBVIIUCO-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000225685410 572022037 /nfs/dbraw/zinc/02/20/37/572022037.db2.gz OQHHWWJTKIUNEG-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225686028 572022403 /nfs/dbraw/zinc/02/24/03/572022403.db2.gz RKBOQAALSOBFHC-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Cl ZINC000225685999 572022507 /nfs/dbraw/zinc/02/25/07/572022507.db2.gz VOYTZEWEKMHBHA-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225686716 572023261 /nfs/dbraw/zinc/02/32/61/572023261.db2.gz IETLVVCGIZOHHX-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687398 572023615 /nfs/dbraw/zinc/02/36/15/572023615.db2.gz KERQDLAEHFPLSS-LQJZCPKCSA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cccc1C ZINC000225687950 572024066 /nfs/dbraw/zinc/02/40/66/572024066.db2.gz MWJXHEKMJLOIJF-IGYGKHONSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225688511 572024295 /nfs/dbraw/zinc/02/42/95/572024295.db2.gz KDDCRDUNWCXYSY-LOYHVIPDSA-N 0 0 584.702 5.716 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225688683 572024813 /nfs/dbraw/zinc/02/48/13/572024813.db2.gz OVYZJENEHAZNRO-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ncccc1C ZINC000225689405 572025359 /nfs/dbraw/zinc/02/53/59/572025359.db2.gz RARPUXUEKMOWKY-VSGBNLITSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225696932 572029174 /nfs/dbraw/zinc/02/91/74/572029174.db2.gz JHGIDKPVFRQOTB-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)cc21 ZINC000225699802 572031191 /nfs/dbraw/zinc/03/11/91/572031191.db2.gz RJWALWONKKGIKA-ROJLCIKYSA-N 0 0 596.200 7.521 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1O ZINC000225701750 572032755 /nfs/dbraw/zinc/03/27/55/572032755.db2.gz HAKXQLFCHUJGNV-ZWXJPIIXSA-N 0 0 596.156 7.003 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc2ccccc21 ZINC000225703623 572034350 /nfs/dbraw/zinc/03/43/50/572034350.db2.gz BOJHJNAGRPZVQV-MPQUPPDSSA-N 0 0 595.772 7.797 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000225705252 572035915 /nfs/dbraw/zinc/03/59/15/572035915.db2.gz SGIYNITVEGBRPE-ROJLCIKYSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cc(C)cc1C ZINC000225707575 572037578 /nfs/dbraw/zinc/03/75/78/572037578.db2.gz CEAGWZJVWADBAH-VLZNPVHKSA-N 0 0 587.793 7.569 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1C ZINC000225707075 572037606 /nfs/dbraw/zinc/03/76/06/572037606.db2.gz ZREYMKFIVBMNEX-HEVIKAOCSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c([N+](=O)[O-])c1 ZINC000225707979 572038075 /nfs/dbraw/zinc/03/80/75/572038075.db2.gz GARBKZJKUOOEAS-JHOUSYSJSA-N 0 0 620.735 6.560 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c([N+](=O)[O-])c1 ZINC000225708004 572038158 /nfs/dbraw/zinc/03/81/58/572038158.db2.gz GARBKZJKUOOEAS-LQJZCPKCSA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1C ZINC000225708096 572038164 /nfs/dbraw/zinc/03/81/64/572038164.db2.gz ODKLTHUAYQONLN-JHOUSYSJSA-N 0 0 594.184 7.605 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708348 572038498 /nfs/dbraw/zinc/03/84/98/572038498.db2.gz NALKTWHXTWRATD-LQJZCPKCSA-N 0 0 610.183 7.306 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708462 572038530 /nfs/dbraw/zinc/03/85/30/572038530.db2.gz FFGLEJOGIKOEAY-LQJZCPKCSA-N 0 0 620.735 6.560 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225715860 572044097 /nfs/dbraw/zinc/04/40/97/572044097.db2.gz DCQWSRGNRHJXHT-SAIUNTKASA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2)C1 ZINC000225793054 572069604 /nfs/dbraw/zinc/06/96/04/572069604.db2.gz PYAWDGAUUJTZBM-LJQANCHMSA-N 0 0 542.126 5.480 40 10 KKCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2)C1 ZINC000225806346 572072728 /nfs/dbraw/zinc/07/27/28/572072728.db2.gz NVOXNQXRHPPSOL-LJQANCHMSA-N 0 0 542.126 5.480 40 10 KKCBRN CCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000225854934 572077563 /nfs/dbraw/zinc/07/75/63/572077563.db2.gz KGQYXZYCDJOSOK-UHFFFAOYSA-N 0 0 549.718 5.396 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCC2)n1 ZINC000225952015 572085974 /nfs/dbraw/zinc/08/59/74/572085974.db2.gz FLDPHQJJXFTBSL-UHFFFAOYSA-N 0 0 513.715 5.074 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1 ZINC000225951987 572085996 /nfs/dbraw/zinc/08/59/96/572085996.db2.gz CBIVPMYUBUNGAX-UHFFFAOYSA-N 0 0 527.742 5.116 40 10 KKCBRN C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225954098 572086344 /nfs/dbraw/zinc/08/63/44/572086344.db2.gz CWCCKPRDMCHZNA-QFIPXVFZSA-N 0 0 507.752 5.323 40 10 KKCBRN C[C@@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953921 572086384 /nfs/dbraw/zinc/08/63/84/572086384.db2.gz IAFUDAJYUBLNNV-JOCHJYFZSA-N 0 0 527.742 5.320 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225954276 572087007 /nfs/dbraw/zinc/08/70/07/572087007.db2.gz MGVIYGMVSYQGNB-UHFFFAOYSA-N 0 0 633.870 5.217 40 10 KKCBRN C[C@H](O)[C@H](C)N1CN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)C=N1 ZINC000299754596 572134221 /nfs/dbraw/zinc/13/42/21/572134221.db2.gz ZJRSLIGFTARJPC-PSAZJTTOSA-N 0 0 707.663 5.051 40 10 KKCBRN C[C@H](O)[C@H](C)N1CN(c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)C=N1 ZINC000299754597 572134286 /nfs/dbraw/zinc/13/42/86/572134286.db2.gz ZJRSLIGFTARJPC-PZFYLCKJSA-N 0 0 707.663 5.051 40 10 KKCBRN CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)N=C3C)cc2)s1 ZINC000408535191 572187887 /nfs/dbraw/zinc/18/78/87/572187887.db2.gz XVRMBHILIMZQPQ-IMRQLAEWSA-N 0 0 566.731 6.539 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408535129 572187916 /nfs/dbraw/zinc/18/79/16/572187916.db2.gz XRAYZVFWMDWDGX-JDCMOKTRSA-N 0 0 580.754 6.351 40 10 KKCBRN COc1ccc(NC=C2C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1CN1C(=O)c2ccccc2C1=O ZINC000408536646 572191534 /nfs/dbraw/zinc/19/15/34/572191534.db2.gz WZIBHFGZXFONGO-UCQKPKSFSA-N 0 0 514.969 5.172 40 10 KKCBRN CCOc1cc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408538543 572198575 /nfs/dbraw/zinc/19/85/75/572198575.db2.gz OOTYDZGZHQTPLF-UHFFFAOYSA-N 0 0 624.693 7.827 40 10 KKCBRN CCOc1cc(COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408538555 572198582 /nfs/dbraw/zinc/19/85/82/572198582.db2.gz ORDNNLNVCMKQPK-UHFFFAOYSA-N 0 0 659.138 8.480 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538770 572199596 /nfs/dbraw/zinc/19/95/96/572199596.db2.gz QPWHGXQSDOXPIT-UHFFFAOYSA-N 0 0 733.615 8.598 40 10 KKCBRN COc1cc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539629 572202855 /nfs/dbraw/zinc/20/28/55/572202855.db2.gz IXABCHQTTGTDMW-WSDLNYQXSA-N 0 0 532.470 6.649 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540448 572205836 /nfs/dbraw/zinc/20/58/36/572205836.db2.gz RZCBUFUCLLJUPI-MFKUBSTISA-N 0 0 600.556 6.893 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2Cl)ccc1OCc1ccccc1 ZINC000408540648 572206603 /nfs/dbraw/zinc/20/66/03/572206603.db2.gz UVPALGDPFVJIRF-YUMHPJSZSA-N 0 0 587.503 8.356 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000408547924 572227745 /nfs/dbraw/zinc/22/77/45/572227745.db2.gz OPQJVOLYPZTFRY-UHFFFAOYSA-N 0 0 557.672 5.032 40 10 KKCBRN O=C(COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550384 572233807 /nfs/dbraw/zinc/23/38/07/572233807.db2.gz DFPCOIDGCBRWBX-XKZIYDEJSA-N 0 0 611.312 8.152 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552941 572239541 /nfs/dbraw/zinc/23/95/41/572239541.db2.gz SOLOIYOIQSEFHH-FRKPEAEDSA-N 0 0 562.294 5.661 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552881 572239427 /nfs/dbraw/zinc/23/94/27/572239427.db2.gz LKJSGKCOHHLDTL-UHFFFAOYSA-N 0 0 620.876 7.248 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553493 572240715 /nfs/dbraw/zinc/24/07/15/572240715.db2.gz WXMAWDGHPNJCKB-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000408571257 572256962 /nfs/dbraw/zinc/25/69/62/572256962.db2.gz ASZPIDZEOGWBHV-UCQKPKSFSA-N 0 0 509.052 6.067 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000408571886 572257332 /nfs/dbraw/zinc/25/73/32/572257332.db2.gz DBOFUHOGPBVVBC-XKZIYDEJSA-N 0 0 529.470 6.412 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408571860 572257366 /nfs/dbraw/zinc/25/73/66/572257366.db2.gz CYBHVZXWHGONKZ-UCQKPKSFSA-N 0 0 508.596 5.253 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408572063 572257574 /nfs/dbraw/zinc/25/75/74/572257574.db2.gz FBSJVQVMMHJJAS-OYKKKHCWSA-N 0 0 597.556 6.493 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3)SC2=S)cc1 ZINC000408572304 572257687 /nfs/dbraw/zinc/25/76/87/572257687.db2.gz GAPGLVFNTUXANB-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4C)c(OCC)c3)SC2=S)cc1 ZINC000408572169 572257699 /nfs/dbraw/zinc/25/76/99/572257699.db2.gz FMGHRJPVIVVNKT-QQXSKIMKSA-N 0 0 627.582 6.978 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408574246 572259411 /nfs/dbraw/zinc/25/94/11/572259411.db2.gz LFPXHJWRHVJPIL-UUYOSTAYSA-N 0 0 529.470 6.412 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cc(C)cc3C)SC2=S)cc1 ZINC000408574782 572260000 /nfs/dbraw/zinc/26/00/00/572260000.db2.gz DDKHXCKOAKCWBT-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(CC)cc3)SC2=S)cc1 ZINC000408575225 572260382 /nfs/dbraw/zinc/26/03/82/572260382.db2.gz HNQRCSWRTBZJSY-UQQQWYQISA-N 0 0 518.660 6.071 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408575267 572260443 /nfs/dbraw/zinc/26/04/43/572260443.db2.gz NNURSXFNDWSEKS-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C)c3)SC2=S)cc1 ZINC000408575885 572260883 /nfs/dbraw/zinc/26/08/83/572260883.db2.gz OUDBFYKQKBUYIG-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408576061 572260921 /nfs/dbraw/zinc/26/09/21/572260921.db2.gz PMAVPMPNPHVODA-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cc(C)cc3C)SC2=S)cc1 ZINC000408576615 572261333 /nfs/dbraw/zinc/26/13/33/572261333.db2.gz XOBXTRRUKZIHOT-IWIPYMOSSA-N 0 0 502.661 6.344 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1Cl ZINC000408577180 572261755 /nfs/dbraw/zinc/26/17/55/572261755.db2.gz RQTPNVXBXBYKEN-QRVIBDJDSA-N 0 0 509.052 6.067 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000408577649 572262247 /nfs/dbraw/zinc/26/22/47/572262247.db2.gz UCTBGFBBNFMBAT-ONUIUJJFSA-N 0 0 532.687 6.067 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)cc3)SC2=S)cc1 ZINC000408577905 572262411 /nfs/dbraw/zinc/26/24/11/572262411.db2.gz VPVNJLAKXQUBKR-HAHDFKILSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408577856 572262414 /nfs/dbraw/zinc/26/24/14/572262414.db2.gz UWXCJDRYJDQEAD-MYYYXRDXSA-N 0 0 613.555 6.588 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c(OC)c3)SC2=S)cc1 ZINC000408577877 572262452 /nfs/dbraw/zinc/26/24/52/572262452.db2.gz VETXKAQVRZULHR-OYKKKHCWSA-N 0 0 613.555 6.506 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408578157 572262834 /nfs/dbraw/zinc/26/28/34/572262834.db2.gz WGNGITMKGBDTEM-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)c1 ZINC000408578176 572262854 /nfs/dbraw/zinc/26/28/54/572262854.db2.gz WLINCYBFNICVJX-OYKKKHCWSA-N 0 0 520.632 5.123 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)SC2=S)cc1 ZINC000408578534 572263157 /nfs/dbraw/zinc/26/31/57/572263157.db2.gz YMSJWKUDPYANOV-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000408600787 572272641 /nfs/dbraw/zinc/27/26/41/572272641.db2.gz GDXBRWJQYKQZFO-NVMNQCDNSA-N 0 0 516.404 6.909 40 10 KKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408600934 572272713 /nfs/dbraw/zinc/27/27/13/572272713.db2.gz HKANWHDRDRQDOT-VCHYOVAHSA-N 0 0 527.303 6.652 40 10 KKCBRN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Oc5ccc(Br)cc5)cc4)C(=O)[C@@H]23)cc1 ZINC000253561959 572300192 /nfs/dbraw/zinc/30/01/92/572300192.db2.gz CRWKOHXGSLFECE-FCEKVYKBSA-N 0 0 608.444 6.245 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408648337 572301142 /nfs/dbraw/zinc/30/11/42/572301142.db2.gz XWKCIXLIGFRCOY-IBGZPJMESA-N 0 0 501.380 6.386 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408666719 572312292 /nfs/dbraw/zinc/31/22/92/572312292.db2.gz OWTBZDDXNLEZHX-UHFFFAOYSA-N 0 0 550.533 6.942 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408666690 572312302 /nfs/dbraw/zinc/31/23/02/572312302.db2.gz OQTFONQPTPEQQE-UHFFFAOYSA-N 0 0 574.633 7.715 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000260572706 572322742 /nfs/dbraw/zinc/32/27/42/572322742.db2.gz XYFPBXPKYIMVPS-RWTUPJDWSA-N 0 0 535.710 6.569 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260741139 572324817 /nfs/dbraw/zinc/32/48/17/572324817.db2.gz GVLAKXYPZCHBCI-RUZDIDTESA-N 0 0 533.738 5.997 40 10 KKCBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000260743494 572324984 /nfs/dbraw/zinc/32/49/84/572324984.db2.gz JEHVHKNJDGMNGQ-WIOPSUGQSA-N 0 0 533.738 5.997 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000100229984 1069696658 /nfs/dbraw/zinc/69/66/58/1069696658.db2.gz KDCCCNQGGCSSSZ-BKUYFWCQSA-N 0 0 525.830 6.886 40 10 KKCBRN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@H](O)Cn3c4ccccc4c4ccccc43)ccc21 ZINC000102416254 1069703029 /nfs/dbraw/zinc/70/30/29/1069703029.db2.gz XSLTYOQLKFGYLG-QFIPXVFZSA-N 0 0 590.657 5.415 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1Cl ZINC000102686381 1069706168 /nfs/dbraw/zinc/70/61/68/1069706168.db2.gz DOWVFGOETCWSPV-JJIBRWJFSA-N 0 0 523.058 5.674 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000102686474 1069706730 /nfs/dbraw/zinc/70/67/30/1069706730.db2.gz UNTVQYJMYUFHOU-PTFSYIGCSA-N 0 0 521.086 6.684 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408760842 1069737963 /nfs/dbraw/zinc/73/79/63/1069737963.db2.gz GJPSDBHBNZSRPF-KGENOOAVSA-N 0 0 504.995 6.415 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 ZINC000408761823 1069738411 /nfs/dbraw/zinc/73/84/11/1069738411.db2.gz BRNCNWTXWINGTD-CPNJWEJPSA-N 0 0 528.258 7.805 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408785815 1069740819 /nfs/dbraw/zinc/74/08/19/1069740819.db2.gz ZPELRMCMEIEMKY-VEILYXNESA-N 0 0 540.616 5.597 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408902955 1069752949 /nfs/dbraw/zinc/75/29/49/1069752949.db2.gz SRHUXSHWPJDFBF-FSJBWODESA-N 0 0 595.367 8.139 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895734 1069751155 /nfs/dbraw/zinc/75/11/55/1069751155.db2.gz OBKQCQGOOJQMIN-UHFFFAOYSA-N 0 0 694.503 5.959 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408901468 1069752015 /nfs/dbraw/zinc/75/20/15/1069752015.db2.gz FOGOWZLCCREXSQ-LPYMAVHISA-N 0 0 525.830 6.886 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408903481 1069752886 /nfs/dbraw/zinc/75/28/86/1069752886.db2.gz YKZIFEJJHDPPCY-FYJGNVAPSA-N 0 0 563.869 6.929 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000408934580 1069758321 /nfs/dbraw/zinc/75/83/21/1069758321.db2.gz BJLHJFFBJLXJDX-LPYMAVHISA-N 0 0 537.385 6.008 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408940506 1069760302 /nfs/dbraw/zinc/76/03/02/1069760302.db2.gz UUSGHWFKCUAIAC-FBHDLOMBSA-N 0 0 501.942 5.701 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409086766 1069771710 /nfs/dbraw/zinc/77/17/10/1069771710.db2.gz RQBKSSNZMYJSAI-UHFFFAOYSA-N 0 0 607.928 7.643 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409087399 1069772279 /nfs/dbraw/zinc/77/22/79/1069772279.db2.gz UBKDOLHABAHBMV-CIQOZVAXSA-N 0 0 503.476 6.377 40 10 KKCBRN COc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409162587 1069791881 /nfs/dbraw/zinc/79/18/81/1069791881.db2.gz XLPGBFOITCQZHW-AREMUKBSSA-N 0 0 500.645 5.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184994 1069797910 /nfs/dbraw/zinc/79/79/10/1069797910.db2.gz JBISJCNTCGNPDG-ZDQLKVIUSA-N 0 0 579.678 5.491 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409341334 1069805528 /nfs/dbraw/zinc/80/55/28/1069805528.db2.gz BHYXNDSOHVTPKU-UUYOSTAYSA-N 0 0 595.367 8.139 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408766694 1069869581 /nfs/dbraw/zinc/86/95/81/1069869581.db2.gz DIPFVPULAILILM-UHFFFAOYSA-N 0 0 572.249 6.698 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408769865 1069877568 /nfs/dbraw/zinc/87/75/68/1069877568.db2.gz QADRNMYTQSHYKE-ZMTYCLHQSA-N 0 0 661.452 7.796 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000408774217 1069889437 /nfs/dbraw/zinc/88/94/37/1069889437.db2.gz BDJKAYBLJXGEGS-GSTVVXAASA-N 0 0 545.683 6.174 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408786106 1069920631 /nfs/dbraw/zinc/92/06/31/1069920631.db2.gz MGDPUYZTJYFRAS-CLVVTTMOSA-N 0 0 554.643 5.609 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408786153 1069920670 /nfs/dbraw/zinc/92/06/70/1069920670.db2.gz FSBQVXMEOGPEHV-QQXSKIMKSA-N 0 0 547.007 5.633 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408791188 1069929514 /nfs/dbraw/zinc/92/95/14/1069929514.db2.gz WEWQYJNPHPFNQA-LMSRTUJASA-N 0 0 594.506 5.107 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408811855 1069966926 /nfs/dbraw/zinc/96/69/26/1069966926.db2.gz OLEUMPVWWGNVNW-UHFFFAOYSA-N 0 0 501.857 6.581 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821758 1069999156 /nfs/dbraw/zinc/99/91/56/1069999156.db2.gz KCUOJQVMGLUZIT-XNMXCUJWSA-N 0 0 664.809 6.574 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408827368 1070006183 /nfs/dbraw/zinc/00/61/83/1070006183.db2.gz JATILIHPCSVPEK-IGSWSUAKSA-N 0 0 631.032 5.310 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408840154 1070042333 /nfs/dbraw/zinc/04/23/33/1070042333.db2.gz BOHDPEULJUKYCX-DEDYPNTBSA-N 0 0 561.071 6.809 40 10 KKCBRN O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408846230 1070053194 /nfs/dbraw/zinc/05/31/94/1070053194.db2.gz XYGHQPUGKZMVHP-DEDYPNTBSA-N 0 0 516.620 6.700 40 10 KKCBRN Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408847179 1070055822 /nfs/dbraw/zinc/05/58/22/1070055822.db2.gz ZWXSISDDNMNMJI-XSFVSMFZSA-N 0 0 507.840 7.460 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408851259 1070065963 /nfs/dbraw/zinc/06/59/63/1070065963.db2.gz AQGXULQKEZFXPU-STBIYBPSSA-N 0 0 669.558 7.302 40 10 KKCBRN Cc1cc(C)cc(Cc2ccc3ccccc3c2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408865471 1070082795 /nfs/dbraw/zinc/08/27/95/1070082795.db2.gz CQAXJLXVPUHDQV-UHFFFAOYSA-N 0 0 536.631 7.631 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408865395 1070083019 /nfs/dbraw/zinc/08/30/19/1070083019.db2.gz DFHAZWGDARCSJX-PXNMLYILSA-N 0 0 549.769 6.040 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408866518 1070085511 /nfs/dbraw/zinc/08/55/11/1070085511.db2.gz HAMOISCKRMTLKH-UHFFFAOYSA-N 0 0 709.403 7.401 40 10 KKCBRN COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(Cc2ccccc2Br)c1 ZINC000408866976 1070087000 /nfs/dbraw/zinc/08/70/00/1070087000.db2.gz JIQYUMPFUQZGKW-PXLXIMEGSA-N 0 0 505.368 5.023 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408868137 1070088753 /nfs/dbraw/zinc/08/87/53/1070088753.db2.gz MNLGCCQBSNPOCC-UHFFFAOYSA-N 0 0 603.527 7.719 40 10 KKCBRN Cc1cc(C)cc(Cc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408869177 1070090951 /nfs/dbraw/zinc/09/09/51/1070090951.db2.gz RMDNNGOLQXMACJ-UHFFFAOYSA-N 0 0 565.467 7.240 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408875318 1070093305 /nfs/dbraw/zinc/09/33/05/1070093305.db2.gz JKEOGORFDBDUIF-NHDPSOOVSA-N 0 0 575.403 5.513 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408870301 1070093400 /nfs/dbraw/zinc/09/34/00/1070093400.db2.gz VUJLPRUOZQTRTQ-UHFFFAOYSA-N 0 0 587.459 7.555 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408871228 1070095296 /nfs/dbraw/zinc/09/52/96/1070095296.db2.gz YYALBMQNOXSTGA-UHFFFAOYSA-N 0 0 633.951 7.438 40 10 KKCBRN Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408874217 1070100714 /nfs/dbraw/zinc/10/07/14/1070100714.db2.gz AGKVADXORXFZBT-UHFFFAOYSA-N 0 0 539.056 6.976 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408874274 1070100755 /nfs/dbraw/zinc/10/07/55/1070100755.db2.gz AUAGVZKNYCVFBO-UHFFFAOYSA-N 0 0 627.560 7.484 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408876116 1070108810 /nfs/dbraw/zinc/10/88/10/1070108810.db2.gz NBAVHFWKQCNACS-UHFFFAOYSA-N 0 0 648.376 7.539 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408875560 1070107318 /nfs/dbraw/zinc/10/73/18/1070107318.db2.gz KAFITVDJBQSCBX-OYKKKHCWSA-N 0 0 505.412 6.042 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408875659 1070108147 /nfs/dbraw/zinc/10/81/47/1070108147.db2.gz KZGDEEFWHTVHDR-ZCTHSVRISA-N 0 0 647.149 6.518 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C1=O ZINC000408876450 1070109648 /nfs/dbraw/zinc/10/96/48/1070109648.db2.gz LHNREXMFLKJALJ-RMORIDSASA-N 0 0 588.564 6.013 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408884489 1070119122 /nfs/dbraw/zinc/11/91/22/1070119122.db2.gz YDPDSCNCRIMGEB-NHDPSOOVSA-N 0 0 593.284 6.698 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408880622 1070122427 /nfs/dbraw/zinc/12/24/27/1070122427.db2.gz GHADJYXUNHGPPD-VHSZZVNMSA-N 0 0 524.886 8.133 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408893543 1070139460 /nfs/dbraw/zinc/13/94/60/1070139460.db2.gz GUABLQJZWOCNIG-UHFFFAOYSA-N 0 0 633.545 6.274 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408894069 1070141198 /nfs/dbraw/zinc/14/11/98/1070141198.db2.gz IQOOHVXVVGADQU-UHFFFAOYSA-N 0 0 603.925 7.430 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902172 1070163292 /nfs/dbraw/zinc/16/32/92/1070163292.db2.gz LIAUVSUUCFRPGR-RGVLZGJSSA-N 0 0 677.210 8.345 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408900563 1070164271 /nfs/dbraw/zinc/16/42/71/1070164271.db2.gz WCOSSEXMGKSANZ-UHFFFAOYSA-N 0 0 589.094 6.164 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000408901194 1070166676 /nfs/dbraw/zinc/16/66/76/1070166676.db2.gz BWXLJOAALQJCHG-RGVLZGJSSA-N 0 0 591.218 6.578 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(I)cc3)cc2)SC(=S)N1c1ccccc1 ZINC000408901641 1070168608 /nfs/dbraw/zinc/16/86/08/1070168608.db2.gz GXZNJJRRMGYSIL-KGENOOAVSA-N 0 0 529.424 6.276 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902219 1070182698 /nfs/dbraw/zinc/18/26/98/1070182698.db2.gz MCUBFJYDQYHDMC-UDWIEESQSA-N 0 0 642.765 7.692 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408902292 1070182758 /nfs/dbraw/zinc/18/27/58/1070182758.db2.gz MUCCAWVGWHXJHO-UDWIEESQSA-N 0 0 620.228 6.281 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408902478 1070183477 /nfs/dbraw/zinc/18/34/77/1070183477.db2.gz OGNSSNZHBARLCU-HYARGMPZSA-N 0 0 607.922 7.328 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408902435 1070183485 /nfs/dbraw/zinc/18/34/85/1070183485.db2.gz NPZJKMVFFLAHII-FYJGNVAPSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1Cl ZINC000408903521 1070187101 /nfs/dbraw/zinc/18/71/01/1070187101.db2.gz ZBXISVDYTARLOG-FYJGNVAPSA-N 0 0 572.830 6.728 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408903439 1070187207 /nfs/dbraw/zinc/18/72/07/1070187207.db2.gz XWAZSJUCFBLJSK-DJKKODMXSA-N 0 0 595.118 7.904 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408907859 1070191734 /nfs/dbraw/zinc/19/17/34/1070191734.db2.gz PLWKARNSZYUTHU-QNKGDIEWSA-N 0 0 675.203 6.556 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408917658 1070208750 /nfs/dbraw/zinc/20/87/50/1070208750.db2.gz ZJZMRNYVKMLUEH-LQKURTRISA-N 0 0 557.603 6.957 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408929184 1070254708 /nfs/dbraw/zinc/25/47/08/1070254708.db2.gz ICXTUKWTQBEVMS-FJEPWZHXSA-N 0 0 584.558 7.417 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408932807 1070263874 /nfs/dbraw/zinc/26/38/74/1070263874.db2.gz FCRVLGNZVRLXPV-LPYMAVHISA-N 0 0 524.440 5.840 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408939483 1070283201 /nfs/dbraw/zinc/28/32/01/1070283201.db2.gz BFCBYORTPGIXIY-FJNIOPPGSA-N 0 0 692.632 5.542 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 ZINC000408945525 1070299631 /nfs/dbraw/zinc/29/96/31/1070299631.db2.gz WPBDIJQKWZXJRZ-KGENOOAVSA-N 0 0 511.397 5.331 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n21 ZINC000408958050 1070325181 /nfs/dbraw/zinc/32/51/81/1070325181.db2.gz UWKUGDQZLBFYBG-SZYVSPPHSA-N 0 0 634.596 5.674 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967515 1070332473 /nfs/dbraw/zinc/33/24/73/1070332473.db2.gz SZJYEUNPIBQDEP-VEILYXNESA-N 0 0 584.723 5.107 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408969404 1070333953 /nfs/dbraw/zinc/33/39/53/1070333953.db2.gz NGEQJMCMHBLUEE-HMAPJEAMSA-N 0 0 528.361 7.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408982982 1070341452 /nfs/dbraw/zinc/34/14/52/1070341452.db2.gz KGBJZXJYRBZEFC-KEPJHFNWSA-N 0 0 634.596 5.594 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408987791 1070350433 /nfs/dbraw/zinc/35/04/33/1070350433.db2.gz YFKCZTLUFLFTEV-CVKSISIWSA-N 0 0 526.507 8.933 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408984800 1070353392 /nfs/dbraw/zinc/35/33/92/1070353392.db2.gz MXKSQIXXPQVGNU-XGLZOBASSA-N 0 0 640.987 5.630 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1cccc(Cl)c1 ZINC000408991783 1070358939 /nfs/dbraw/zinc/35/89/39/1070358939.db2.gz YRJVQRWDCRSPOK-LXYLXTGBSA-N 0 0 580.537 5.901 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408989287 1070362494 /nfs/dbraw/zinc/36/24/94/1070362494.db2.gz UBXSZMMSTTXIQE-GRPHBVMCSA-N 0 0 589.717 5.352 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br ZINC000408995764 1070364054 /nfs/dbraw/zinc/36/40/54/1070364054.db2.gz DPHSXSOQPWTSQB-UHFFFAOYSA-N 0 0 556.485 6.605 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408988874 1070361248 /nfs/dbraw/zinc/36/12/48/1070361248.db2.gz SMTAALCDRKWZRM-MXLMUYMQSA-N 0 0 663.026 7.303 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408989297 1070362329 /nfs/dbraw/zinc/36/23/29/1070362329.db2.gz TVAUDJXJMIXLFH-DAIZXWHWSA-N 0 0 619.743 5.360 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994061 1070369956 /nfs/dbraw/zinc/36/99/56/1070369956.db2.gz FLBSMUDPSUDMFW-CTVOUCONSA-N 0 0 534.703 6.125 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408997461 1070367357 /nfs/dbraw/zinc/36/73/57/1070367357.db2.gz GMVJVTCQVMGTJC-LLXISZFLSA-N 0 0 668.613 6.114 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409002801 1070372007 /nfs/dbraw/zinc/37/20/07/1070372007.db2.gz ATYDLZSJOORITI-WSDLNYQXSA-N 0 0 633.282 5.481 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409002791 1070372284 /nfs/dbraw/zinc/37/22/84/1070372284.db2.gz APZWQUOHVIPREG-WSDLNYQXSA-N 0 0 602.858 5.680 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000409002654 1070379263 /nfs/dbraw/zinc/37/92/63/1070379263.db2.gz OXBBPSMCEXGJFB-MHWRWJLKSA-N 0 0 548.212 5.622 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409006594 1070382430 /nfs/dbraw/zinc/38/24/30/1070382430.db2.gz JPVIRMMKIOIUOI-UPWSPCOFSA-N 0 0 610.563 5.911 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409011334 1070388876 /nfs/dbraw/zinc/38/88/76/1070388876.db2.gz HGBWJJVPZLMXRH-LFVJCYFKSA-N 0 0 506.071 6.182 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013380 1070390911 /nfs/dbraw/zinc/39/09/11/1070390911.db2.gz NEIMDIJLZDEGKC-RDRPBHBLSA-N 0 0 651.568 7.163 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012364 1070390184 /nfs/dbraw/zinc/39/01/84/1070390184.db2.gz JLZWRCBRMQJIAK-LIOKZSBXSA-N 0 0 645.177 7.066 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409008752 1070391431 /nfs/dbraw/zinc/39/14/31/1070391431.db2.gz FIXCQFRYMAJJLM-UHFFFAOYSA-N 0 0 591.620 5.695 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409017861 1070392191 /nfs/dbraw/zinc/39/21/91/1070392191.db2.gz IGEJZMZCAHQROP-QUNTYYFUSA-N 0 0 678.605 5.072 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409017868 1070392289 /nfs/dbraw/zinc/39/22/89/1070392289.db2.gz IGEJZMZCAHQROP-SZYVSPPHSA-N 0 0 678.605 5.072 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409018078 1070392427 /nfs/dbraw/zinc/39/24/27/1070392427.db2.gz QMFHZGURDKLJNH-HBMWKUFKSA-N 0 0 632.786 5.418 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409013825 1070393891 /nfs/dbraw/zinc/39/38/91/1070393891.db2.gz WCGLINOJKAGMOH-JVWAILMASA-N 0 0 542.592 6.386 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015367 1070395066 /nfs/dbraw/zinc/39/50/66/1070395066.db2.gz RSXCRQSLGZDDLR-RDRPBHBLSA-N 0 0 700.040 8.207 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409019088 1070402220 /nfs/dbraw/zinc/40/22/20/1070402220.db2.gz XYDMLNKMVRRRTJ-XIEYBQDHSA-N 0 0 515.635 5.225 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409025043 1070409011 /nfs/dbraw/zinc/40/90/11/1070409011.db2.gz PUBIENOPTZYBGF-UHFFFAOYSA-N 0 0 632.308 7.374 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409030386 1070413097 /nfs/dbraw/zinc/41/30/97/1070413097.db2.gz DAXSIJRADBPHEM-UWVJOHFNSA-N 0 0 531.324 7.192 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409030723 1070413869 /nfs/dbraw/zinc/41/38/69/1070413869.db2.gz FASNMYPCPBQJHQ-VIZOYTHASA-N 0 0 601.753 7.192 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC1=S ZINC000409034469 1070422459 /nfs/dbraw/zinc/42/24/59/1070422459.db2.gz NXWXXAJSNRJFDB-NVMNQCDNSA-N 0 0 586.327 6.556 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccccc1F ZINC000409032165 1070419045 /nfs/dbraw/zinc/41/90/45/1070419045.db2.gz LBAOEVXGEAQAAS-AUWJEWJLSA-N 0 0 728.168 7.116 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409033686 1070423839 /nfs/dbraw/zinc/42/38/39/1070423839.db2.gz OTGGDFODPGEBFQ-LFYBBSHMSA-N 0 0 643.275 6.568 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000409029759 1070425998 /nfs/dbraw/zinc/42/59/98/1070425998.db2.gz BEQKBWNROUEGBD-YBFXNURJSA-N 0 0 507.943 7.183 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000409034454 1070432073 /nfs/dbraw/zinc/43/20/73/1070432073.db2.gz HOHCUXOLOPIMFC-PYCBVSLESA-N 0 0 569.727 5.301 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)sc2=N1 ZINC000409034713 1070432713 /nfs/dbraw/zinc/43/27/13/1070432713.db2.gz IDOZMTSEBDBVKP-MIUGUJGPSA-N 0 0 635.142 5.556 40 10 KKCBRN CCOC(=O)c1ccc(COc2c(I)cc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2I)cc1 ZINC000409035214 1070434208 /nfs/dbraw/zinc/43/42/08/1070434208.db2.gz PBUMHIQXZUDOAX-PXNMLYILSA-N 0 0 782.241 7.153 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OC(C)C ZINC000409037285 1070439790 /nfs/dbraw/zinc/43/97/90/1070439790.db2.gz TVEXBAHFUSLCQT-WZUFQYTHSA-N 0 0 662.134 6.185 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(I)cc1 ZINC000409040859 1070443825 /nfs/dbraw/zinc/44/38/25/1070443825.db2.gz YWRBFMNFAGNMNV-LICLKQGHSA-N 0 0 628.335 6.771 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409044331 1070451768 /nfs/dbraw/zinc/45/17/68/1070451768.db2.gz BXXCAUJQDRAXQO-UHFFFAOYSA-N 0 0 650.298 7.513 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409052645 1070456021 /nfs/dbraw/zinc/45/60/21/1070456021.db2.gz IZHPPUJXJIFHRA-OYKKKHCWSA-N 0 0 572.521 7.276 40 10 KKCBRN CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000409047611 1070459382 /nfs/dbraw/zinc/45/93/82/1070459382.db2.gz PAHZXXPAWWHRGS-UKTHLTGXSA-N 0 0 542.611 5.320 40 10 KKCBRN COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000409048179 1070460807 /nfs/dbraw/zinc/46/08/07/1070460807.db2.gz QYBXTDOQTXPSPG-VXLYETTFSA-N 0 0 693.142 6.006 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000409048987 1070462176 /nfs/dbraw/zinc/46/21/76/1070462176.db2.gz PQAJTZJVWBJZNQ-LHHJGKSTSA-N 0 0 566.866 6.158 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1O ZINC000409057059 1070470177 /nfs/dbraw/zinc/47/01/77/1070470177.db2.gz OQTPPXAXADIVEQ-YVLHZVERSA-N 0 0 511.406 5.105 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409061472 1070477014 /nfs/dbraw/zinc/47/70/14/1070477014.db2.gz XQTTZYXJCKOBHF-IEIVDPGYSA-N 0 0 595.765 5.649 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409062562 1070478292 /nfs/dbraw/zinc/47/82/92/1070478292.db2.gz WTNMWCBZOJPVDQ-CVNAYVFFSA-N 0 0 591.777 5.968 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409075656 1070489117 /nfs/dbraw/zinc/48/91/17/1070489117.db2.gz ZRISQTMQNPRMLX-LQKURTRISA-N 0 0 513.544 6.044 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409073895 1070500542 /nfs/dbraw/zinc/50/05/42/1070500542.db2.gz UHSZPQBBNLSLRV-NHDPSOOVSA-N 0 0 529.851 7.240 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409081773 1070505461 /nfs/dbraw/zinc/50/54/61/1070505461.db2.gz QOECIHPNBIGDRH-PAEMTNLTSA-N 0 0 548.524 6.115 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409083216 1070508517 /nfs/dbraw/zinc/50/85/17/1070508517.db2.gz KSQUGOFFVCFWIB-UMUMUWHJSA-N 0 0 552.487 5.946 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084238 1070510043 /nfs/dbraw/zinc/51/00/43/1070510043.db2.gz XIQOAWJCAGHKDV-BCUAHEQISA-N 0 0 508.434 5.547 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409093288 1070517316 /nfs/dbraw/zinc/51/73/16/1070517316.db2.gz ZTYNFGINJXEJFW-ITYLOYPMSA-N 0 0 527.393 7.002 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409089821 1070524045 /nfs/dbraw/zinc/52/40/45/1070524045.db2.gz KJLVZIHGRQDSNW-SCWSXOCZSA-N 0 0 537.444 5.250 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 ZINC000409098786 1070532350 /nfs/dbraw/zinc/53/23/50/1070532350.db2.gz PLQLRBNWAXOIGB-UCQKPKSFSA-N 0 0 554.466 5.930 40 10 KKCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21 ZINC000409123515 1070548680 /nfs/dbraw/zinc/54/86/80/1070548680.db2.gz CHZSOPANIAEGBN-FBHDLOMBSA-N 0 0 543.512 5.069 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409132529 1070551388 /nfs/dbraw/zinc/55/13/88/1070551388.db2.gz JYMZVNKTYDKNET-YSMPRRRNSA-N 0 0 558.710 6.950 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC1=S ZINC000409125071 1070552595 /nfs/dbraw/zinc/55/25/95/1070552595.db2.gz MLAJFXDCONQWMU-XKZIYDEJSA-N 0 0 565.942 6.374 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(C)c4)o3)SC2=S)cc1 ZINC000409132192 1070550939 /nfs/dbraw/zinc/55/09/39/1070550939.db2.gz ZPTSHUFIFMWTEO-MTJSOVHGSA-N 0 0 500.439 6.428 40 10 KKCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Oc5ccc(OC)cc5)cc4)c3C)NC2=S)cc1 ZINC000409130860 1070557818 /nfs/dbraw/zinc/55/78/18/1070557818.db2.gz VEFKYRSWLLLTAB-CEUNXORHSA-N 0 0 539.657 6.556 40 10 KKCBRN O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409147198 1070565612 /nfs/dbraw/zinc/56/56/12/1070565612.db2.gz WSCZWPLUIGTBKL-QFIPXVFZSA-N 0 0 506.451 6.683 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c(Cl)c1 ZINC000409149318 1070567363 /nfs/dbraw/zinc/56/73/63/1070567363.db2.gz BKHITPVYZMRRPA-WSDLNYQXSA-N 0 0 608.366 7.190 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409144916 1070572784 /nfs/dbraw/zinc/57/27/84/1070572784.db2.gz PPIFSTAXRANXBP-JJUBJSHISA-N 0 0 562.555 5.187 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409150524 1070568792 /nfs/dbraw/zinc/56/87/92/1070568792.db2.gz CDUVZXHZWFRREW-WPWMEQJKSA-N 0 0 543.689 6.404 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409161197 1070576158 /nfs/dbraw/zinc/57/61/58/1070576158.db2.gz KSESWYLPSKOVSK-WSDLNYQXSA-N 0 0 621.937 6.684 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409165461 1070583210 /nfs/dbraw/zinc/58/32/10/1070583210.db2.gz YLXXSTJTFVDUIW-GGUMNFRJSA-N 0 0 541.829 7.425 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409164627 1070583280 /nfs/dbraw/zinc/58/32/80/1070583280.db2.gz LEUXZARTIDXQQK-NHDPSOOVSA-N 0 0 535.385 7.112 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)N2 ZINC000409166925 1070584742 /nfs/dbraw/zinc/58/47/42/1070584742.db2.gz HAEMCJWVVRSMKF-QJMRKGMQSA-N 0 0 589.313 7.957 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167494 1070585838 /nfs/dbraw/zinc/58/58/38/1070585838.db2.gz IQLNVYHKZKBIAR-WBXFWKJNSA-N 0 0 572.930 9.184 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409172510 1070588315 /nfs/dbraw/zinc/58/83/15/1070588315.db2.gz JPVHANBABSJRGJ-NDENLUEZSA-N 0 0 517.754 5.449 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184391 1070603992 /nfs/dbraw/zinc/60/39/92/1070603992.db2.gz GMMMCKJXDYZUBP-KGZYNADJSA-N 0 0 749.083 7.048 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409183500 1070602353 /nfs/dbraw/zinc/60/23/53/1070602353.db2.gz UGYKQNDEGDCSHR-YSMPRRRNSA-N 0 0 610.157 6.344 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183693 1070602395 /nfs/dbraw/zinc/60/23/95/1070602395.db2.gz DBNLVYWZRYXNGD-SXYRFTRLSA-N 0 0 843.847 10.967 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc4c(c3)OCO4)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185671 1070605448 /nfs/dbraw/zinc/60/54/48/1070605448.db2.gz OKHSQJTYDMCDBM-OTYQSPAESA-N 0 0 820.762 8.549 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(Cl)cc4)o3)C(C(=O)OC)=C2C)cc1 ZINC000409185678 1070605537 /nfs/dbraw/zinc/60/55/37/1070605537.db2.gz ONPZCCAGVKQEDM-DXJNIWACSA-N 0 0 681.594 7.253 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185616 1070605561 /nfs/dbraw/zinc/60/55/61/1070605561.db2.gz NKVDBMFNHCSIND-RYVZMJGZSA-N 0 0 848.590 9.570 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186276 1070607013 /nfs/dbraw/zinc/60/70/13/1070607013.db2.gz ZVLJINXPQFDOIJ-LXOUGALGSA-N 0 0 648.829 6.935 40 10 KKCBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409193985 1070612861 /nfs/dbraw/zinc/61/28/61/1070612861.db2.gz JQDZHERMAQBJHX-FQIOEHTJSA-N 0 0 565.519 6.797 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409196580 1070616496 /nfs/dbraw/zinc/61/64/96/1070616496.db2.gz WKUVZNBCFLULCI-CIAFOILYSA-N 0 0 591.346 7.205 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC ZINC000409197242 1070617924 /nfs/dbraw/zinc/61/79/24/1070617924.db2.gz ZORGNNPKYGJYQO-PDGQHHTCSA-N 0 0 542.464 5.434 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409197294 1070617935 /nfs/dbraw/zinc/61/79/35/1070617935.db2.gz AUDQHYDNJRLGJV-YVNNLAQVSA-N 0 0 547.441 6.895 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409197911 1070618856 /nfs/dbraw/zinc/61/88/56/1070618856.db2.gz RTPJFJQSGMAPDE-FOKLQQMPSA-N 0 0 557.897 7.650 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198549 1070620211 /nfs/dbraw/zinc/62/02/11/1070620211.db2.gz BXXXREZFFUOHQP-LPYMAVHISA-N 0 0 507.593 6.203 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c(Cl)c1 ZINC000409207025 1070623068 /nfs/dbraw/zinc/62/30/68/1070623068.db2.gz YXFRFRZXOIPZQO-YBFXNURJSA-N 0 0 522.957 6.473 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409207226 1070623089 /nfs/dbraw/zinc/62/30/89/1070623089.db2.gz UECACRHSKZETFO-FBHDLOMBSA-N 0 0 536.635 5.231 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229970 1070645540 /nfs/dbraw/zinc/64/55/40/1070645540.db2.gz WGBIDRDPWXANMZ-SOFYTKRASA-N 0 0 567.516 5.708 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409229411 1070647080 /nfs/dbraw/zinc/64/70/80/1070647080.db2.gz OPGHZNUUNYZINN-XYLCRUHJSA-N 0 0 583.529 6.438 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409237425 1070653268 /nfs/dbraw/zinc/65/32/68/1070653268.db2.gz WQWROJIGULPPSR-JMIUGGIZSA-N 0 0 584.333 7.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409237281 1070653304 /nfs/dbraw/zinc/65/33/04/1070653304.db2.gz JFNUJBBWUMPPNM-JLPGSUDCSA-N 0 0 553.105 6.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409236906 1070653313 /nfs/dbraw/zinc/65/33/13/1070653313.db2.gz HYSRWKVFLRYAHY-MSXFZWOLSA-N 0 0 587.550 7.351 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409240751 1070656146 /nfs/dbraw/zinc/65/61/46/1070656146.db2.gz HRIIBUGVTFJNHH-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409232610 1070657713 /nfs/dbraw/zinc/65/77/13/1070657713.db2.gz RSIVKSODTXXVGA-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409250019 1070667065 /nfs/dbraw/zinc/66/70/65/1070667065.db2.gz PIDCNRUVIMDYSW-XKZIYDEJSA-N 0 0 573.921 6.834 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409242741 1070670673 /nfs/dbraw/zinc/67/06/73/1070670673.db2.gz SUPPCDGDTMTTQW-MFKUBSTISA-N 0 0 514.423 6.162 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409244283 1070672069 /nfs/dbraw/zinc/67/20/69/1070672069.db2.gz APGWXCVENWZVRB-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1C ZINC000409256102 1070675488 /nfs/dbraw/zinc/67/54/88/1070675488.db2.gz JWAILAQHQNQKBN-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409265037 1070688365 /nfs/dbraw/zinc/68/83/65/1070688365.db2.gz NKFNXLPJHREECL-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409264774 1070688376 /nfs/dbraw/zinc/68/83/76/1070688376.db2.gz RXTMHTHTSHDIFC-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1 ZINC000409265539 1070689156 /nfs/dbraw/zinc/68/91/56/1070689156.db2.gz IUVRMBJALPVHRB-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1 ZINC000409251326 1070681898 /nfs/dbraw/zinc/68/18/98/1070681898.db2.gz PBINIJJZFIEKJH-UCQKPKSFSA-N 0 0 557.619 6.195 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409265785 1070689612 /nfs/dbraw/zinc/68/96/12/1070689612.db2.gz PETBHNQVLQXNSM-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266738 1070691242 /nfs/dbraw/zinc/69/12/42/1070691242.db2.gz YCFJIRREEUNYKF-UHFFFAOYSA-N 0 0 630.484 6.911 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409260995 1070697047 /nfs/dbraw/zinc/69/70/47/1070697047.db2.gz ZOAWMIYJFHWTPH-UNOMPAQXSA-N 0 0 521.458 5.086 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409262880 1070699081 /nfs/dbraw/zinc/69/90/81/1070699081.db2.gz KLFCFJSMYMBQOI-IWIPYMOSSA-N 0 0 539.078 6.470 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880200 1070788773 /nfs/dbraw/zinc/78/87/73/1070788773.db2.gz GMPAUDQLFOHXOO-FMFFXOCNSA-N 0 0 624.759 6.782 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408880261 1070789231 /nfs/dbraw/zinc/78/92/31/1070789231.db2.gz FTPTXOGBRPATCJ-UHFFFAOYSA-N 0 0 613.533 7.093 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408880289 1070789473 /nfs/dbraw/zinc/78/94/73/1070789473.db2.gz HBUOPJMTJIBGOB-OYKKKHCWSA-N 0 0 509.469 7.217 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880192 1070790659 /nfs/dbraw/zinc/79/06/59/1070790659.db2.gz DWQKVHRCGRANDL-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408879235 1070795287 /nfs/dbraw/zinc/79/52/87/1070795287.db2.gz CJESITZZWJSMDJ-UHFFFAOYSA-N 0 0 506.533 6.009 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408878131 1070802701 /nfs/dbraw/zinc/80/27/01/1070802701.db2.gz WSQFXFGHZVXRKV-UHFFFAOYSA-N 0 0 633.951 7.438 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408887615 1070819134 /nfs/dbraw/zinc/81/91/34/1070819134.db2.gz PLPVXGAVZNJKCS-UHFFFAOYSA-N 0 0 710.571 6.124 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408887541 1070819691 /nfs/dbraw/zinc/81/96/91/1070819691.db2.gz RLARJPWOJPBGHP-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408887360 1070820263 /nfs/dbraw/zinc/82/02/63/1070820263.db2.gz PZRPLGIZLNHQOH-UHFFFAOYSA-N 0 0 633.147 6.563 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408897081 1070825726 /nfs/dbraw/zinc/82/57/26/1070825726.db2.gz VIBSJTMIBYHREP-UHFFFAOYSA-N 0 0 631.523 7.314 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1Cl ZINC000409326825 1070826872 /nfs/dbraw/zinc/82/68/72/1070826872.db2.gz DZXDSZRRRHGIIR-VXLYETTFSA-N 0 0 507.376 6.576 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409328171 1070829130 /nfs/dbraw/zinc/82/91/30/1070829130.db2.gz PQBZDMRIKFIHFT-QFEZKATASA-N 0 0 522.478 8.131 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409328944 1070830287 /nfs/dbraw/zinc/83/02/87/1070830287.db2.gz AVAHEUUANLFXLV-JVWAILMASA-N 0 0 511.071 7.902 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000409328805 1070830474 /nfs/dbraw/zinc/83/04/74/1070830474.db2.gz AXJJEKHAYJWZHO-BKUYFWCQSA-N 0 0 515.534 6.339 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329148 1070830795 /nfs/dbraw/zinc/83/07/95/1070830795.db2.gz DCOIPSNEAGMBPJ-UCQKPKSFSA-N 0 0 508.596 5.566 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc(F)c1 ZINC000409329324 1070831021 /nfs/dbraw/zinc/83/10/21/1070831021.db2.gz DVJWIDZOHCZMIC-JMIUGGIZSA-N 0 0 673.310 7.020 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O)Nc1ccccc1 ZINC000409329322 1070831358 /nfs/dbraw/zinc/83/13/58/1070831358.db2.gz DRJLNMBUVBVADZ-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c1 ZINC000409329363 1070831486 /nfs/dbraw/zinc/83/14/86/1070831486.db2.gz FLCPUQIRFVMFDO-NHDPSOOVSA-N 0 0 595.418 7.883 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409329753 1070832637 /nfs/dbraw/zinc/83/26/37/1070832637.db2.gz HSHJWOBAUKHNQB-LPYMAVHISA-N 0 0 562.457 7.111 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409330924 1070834143 /nfs/dbraw/zinc/83/41/43/1070834143.db2.gz MPJNVNQFJAEXFQ-SXGWCWSVSA-N 0 0 531.824 5.758 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1I ZINC000409330778 1070834242 /nfs/dbraw/zinc/83/42/42/1070834242.db2.gz LYWPXWAGFVUGQX-VIZOYTHASA-N 0 0 522.216 6.012 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC ZINC000409334270 1070840804 /nfs/dbraw/zinc/84/08/04/1070840804.db2.gz VMAOAYSPLWZBBE-MHWRWJLKSA-N 0 0 576.275 5.867 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409326358 1070844828 /nfs/dbraw/zinc/84/48/28/1070844828.db2.gz AWEKWIJCBDDHIT-OYKKKHCWSA-N 0 0 587.504 6.901 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408895458 1070844951 /nfs/dbraw/zinc/84/49/51/1070844951.db2.gz MWIRLZLCDCNONF-UNOMPAQXSA-N 0 0 514.422 5.709 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000409339892 1070845434 /nfs/dbraw/zinc/84/54/34/1070845434.db2.gz ZMNZUXDLTWAJFC-UNOMPAQXSA-N 0 0 533.412 5.867 40 10 KKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409340090 1070845820 /nfs/dbraw/zinc/84/58/20/1070845820.db2.gz QHLJAOZYHASFLH-RQZCQDPDSA-N 0 0 503.270 6.951 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409345564 1070848166 /nfs/dbraw/zinc/84/81/66/1070848166.db2.gz IDOUZCDKIHPNJK-UKWGHVSLSA-N 0 0 571.385 8.119 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409341841 1070848799 /nfs/dbraw/zinc/84/87/99/1070848799.db2.gz AGHYAPRQYDWXGW-NHDPSOOVSA-N 0 0 614.892 8.115 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409341902 1070849246 /nfs/dbraw/zinc/84/92/46/1070849246.db2.gz CTGNIPNIVQOYBN-ZVBGSRNCSA-N 0 0 645.862 8.236 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC ZINC000409342898 1070850816 /nfs/dbraw/zinc/85/08/16/1070850816.db2.gz CXSLFCJIGYJGBF-LDADJPATSA-N 0 0 541.432 5.503 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)OC ZINC000409343273 1070851178 /nfs/dbraw/zinc/85/11/78/1070851178.db2.gz DHDIGBPVPIAUNK-GIJQJNRQSA-N 0 0 542.860 5.459 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409343115 1070851508 /nfs/dbraw/zinc/85/15/08/1070851508.db2.gz CMJHTISTTLXEOM-PKAZHMFMSA-N 0 0 542.638 7.132 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000409344169 1070852471 /nfs/dbraw/zinc/85/24/71/1070852471.db2.gz FYXSQQAVAUXBMY-ZMOGYAJESA-N 0 0 686.420 8.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409344489 1070852699 /nfs/dbraw/zinc/85/26/99/1070852699.db2.gz GRXJJNOVKIMJMU-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409344157 1070852792 /nfs/dbraw/zinc/85/27/92/1070852792.db2.gz FVLKDKOREABHFR-JVWAILMASA-N 0 0 606.726 6.263 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409334858 1070854003 /nfs/dbraw/zinc/85/40/03/1070854003.db2.gz XWGYZCYZPDXQDN-SOFYXZRVSA-N 0 0 549.693 6.375 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409346762 1070863777 /nfs/dbraw/zinc/86/37/77/1070863777.db2.gz LFYZXUWFKJDZHT-BOPFTXTBSA-N 0 0 508.871 7.253 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409338258 1070860720 /nfs/dbraw/zinc/86/07/20/1070860720.db2.gz GSKAYZBLJNKPAO-YSURURNPSA-N 0 0 560.480 7.106 40 10 KKCBRN O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338584 1070861189 /nfs/dbraw/zinc/86/11/89/1070861189.db2.gz MORPTZQHFHLDIY-MKMNVTDBSA-N 0 0 505.640 5.976 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409338549 1070861241 /nfs/dbraw/zinc/86/12/41/1070861241.db2.gz LVQPIHLNJNEWOD-JMIUGGIZSA-N 0 0 630.210 8.503 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409338701 1070861411 /nfs/dbraw/zinc/86/14/11/1070861411.db2.gz OPIBPGYYLXUUKZ-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409339082 1070861793 /nfs/dbraw/zinc/86/17/93/1070861793.db2.gz DVNQBPQEYMOBMT-NDENLUEZSA-N 0 0 531.428 5.977 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1Cl ZINC000409339440 1070862410 /nfs/dbraw/zinc/86/24/10/1070862410.db2.gz VUENATCWUYGHCQ-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347827 1070864605 /nfs/dbraw/zinc/86/46/05/1070864605.db2.gz NAAAYMXDJYMISG-HMAPJEAMSA-N 0 0 566.970 7.614 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1 ZINC000409347779 1070864680 /nfs/dbraw/zinc/86/46/80/1070864680.db2.gz QZIKMZNTZILLDC-LPYMAVHISA-N 0 0 603.491 5.731 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409348732 1070865646 /nfs/dbraw/zinc/86/56/46/1070865646.db2.gz OYSSUYQAVLMYKH-QQXSKIMKSA-N 0 0 641.527 7.967 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S)c1ccc(Cl)cc1 ZINC000409350059 1070867872 /nfs/dbraw/zinc/86/78/72/1070867872.db2.gz WZVOYQTZPIHZPO-LICLKQGHSA-N 0 0 509.823 6.453 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409352152 1070870361 /nfs/dbraw/zinc/87/03/61/1070870361.db2.gz WNOMORWVILWOOH-AFPJDJCSSA-N 0 0 571.334 8.294 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409345167 1070875883 /nfs/dbraw/zinc/87/58/83/1070875883.db2.gz KCDSPPMAFHVWSC-ZVHZXABRSA-N 0 0 598.102 5.311 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408891831 1070876551 /nfs/dbraw/zinc/87/65/51/1070876551.db2.gz VXZYIACQYONYKH-UHFFFAOYSA-N 0 0 556.977 6.650 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409345550 1070877312 /nfs/dbraw/zinc/87/73/12/1070877312.db2.gz JGCHNAOBRJVZFY-MTJSOVHGSA-N 0 0 580.447 7.461 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409345860 1070877421 /nfs/dbraw/zinc/87/74/21/1070877421.db2.gz LPZYABJKFPWQRO-REZTVBANSA-N 0 0 519.269 6.569 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1C ZINC000409360179 1070888247 /nfs/dbraw/zinc/88/82/47/1070888247.db2.gz YVSDGFZJUPGQLV-MSXFZWOLSA-N 0 0 518.616 5.455 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409375512 1070888969 /nfs/dbraw/zinc/88/89/69/1070888969.db2.gz LVPQOBNOMXEMLC-UHFFFAOYSA-N 0 0 582.012 5.950 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408905860 1070898946 /nfs/dbraw/zinc/89/89/46/1070898946.db2.gz FVLMMGIMXPWSLX-CVKSISIWSA-N 0 0 631.578 6.615 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368407 1070891821 /nfs/dbraw/zinc/89/18/21/1070891821.db2.gz UIUUULQGDRVCBP-IUXPMGMMSA-N 0 0 635.345 5.644 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 ZINC000409370355 1070894018 /nfs/dbraw/zinc/89/40/18/1070894018.db2.gz PJEWRSHSLUYNAS-QQXSKIMKSA-N 0 0 515.635 5.114 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(F)c1 ZINC000408904873 1070900239 /nfs/dbraw/zinc/90/02/39/1070900239.db2.gz PTRKEXONQZJPFQ-LPYMAVHISA-N 0 0 509.375 6.372 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408903931 1070901399 /nfs/dbraw/zinc/90/13/99/1070901399.db2.gz BJLYPXFVHRJIPI-LPYMAVHISA-N 0 0 534.410 5.590 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408903512 1070904138 /nfs/dbraw/zinc/90/41/38/1070904138.db2.gz YXXJBBRSRGUZQU-LPYMAVHISA-N 0 0 583.382 5.983 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408903077 1070906792 /nfs/dbraw/zinc/90/67/92/1070906792.db2.gz UKCNKAWOUFOBSH-KEBDBYFISA-N 0 0 546.248 7.150 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408902745 1070909166 /nfs/dbraw/zinc/90/91/66/1070909166.db2.gz QVRSCAAFGBSJLE-HYARGMPZSA-N 0 0 544.467 6.972 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901580 1070918936 /nfs/dbraw/zinc/91/89/36/1070918936.db2.gz GORUXTPAWOEFGU-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408902659 1070910586 /nfs/dbraw/zinc/91/05/86/1070910586.db2.gz PJDVBDPGEVULPK-FYJGNVAPSA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408902672 1070910647 /nfs/dbraw/zinc/91/06/47/1070910647.db2.gz PPUPXACJIDQQHI-WSDLNYQXSA-N 0 0 573.465 6.020 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408902419 1070911288 /nfs/dbraw/zinc/91/12/88/1070911288.db2.gz NKJUAMWCJPURMF-HYARGMPZSA-N 0 0 573.477 6.593 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902141 1070913192 /nfs/dbraw/zinc/91/31/92/1070913192.db2.gz KTWLFQJKWJWBCL-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408902171 1070914125 /nfs/dbraw/zinc/91/41/25/1070914125.db2.gz LHTWWNBHRAIRHX-YDZHTSKRSA-N 0 0 544.467 6.972 40 10 KKCBRN COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408901988 1070914819 /nfs/dbraw/zinc/91/48/19/1070914819.db2.gz JOSQSGWONXUFLI-NTEUORMPSA-N 0 0 532.222 5.468 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408902044 1070915382 /nfs/dbraw/zinc/91/53/82/1070915382.db2.gz JZUXHCPJOJIWLW-PCLIKHOPSA-N 0 0 562.510 7.596 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901825 1070916089 /nfs/dbraw/zinc/91/60/89/1070916089.db2.gz HNAZSLDZFOXELR-UDWIEESQSA-N 0 0 626.310 7.178 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408900954 1070925772 /nfs/dbraw/zinc/92/57/72/1070925772.db2.gz ANTBMHMBZIJGJK-KEBDBYFISA-N 0 0 630.210 8.503 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408900976 1070926520 /nfs/dbraw/zinc/92/65/20/1070926520.db2.gz AZSXIGATCMYBHX-YZSQISJMSA-N 0 0 623.537 7.828 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408910126 1070970107 /nfs/dbraw/zinc/97/01/07/1070970107.db2.gz WJPFOSUIWLZMBK-RDRPBHBLSA-N 0 0 621.086 6.340 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000408909268 1070977720 /nfs/dbraw/zinc/97/77/20/1070977720.db2.gz GVWLPNGREKEJQH-ZHGFHMGHSA-N 0 0 579.747 5.713 40 10 KKCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408908254 1070985211 /nfs/dbraw/zinc/98/52/11/1070985211.db2.gz QSXKYMVFKJVWHK-WPWMEQJKSA-N 0 0 633.550 5.687 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)NC1=S ZINC000408910602 1071067344 /nfs/dbraw/zinc/06/73/44/1071067344.db2.gz KXPYXHYJNAFFAX-RQZCQDPDSA-N 0 0 560.267 5.200 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408920544 1071102825 /nfs/dbraw/zinc/10/28/25/1071102825.db2.gz JXZCHACBWVGMMA-BXMULHQWSA-N 0 0 709.606 5.628 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408927900 1071191489 /nfs/dbraw/zinc/19/14/89/1071191489.db2.gz YDPUGVHKNRKKFE-DAIZXWHWSA-N 0 0 603.744 5.660 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408927361 1071196426 /nfs/dbraw/zinc/19/64/26/1071196426.db2.gz WAQUQVXPNVXAMV-SZYVSPPHSA-N 0 0 697.664 6.229 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408934113 1071200540 /nfs/dbraw/zinc/20/05/40/1071200540.db2.gz LGXQINGQCIFBLV-VVUFDACBSA-N 0 0 633.770 5.890 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000197320395 1071212374 /nfs/dbraw/zinc/21/23/74/1071212374.db2.gz WZHYUMUMOKVZKC-CMISJSSVSA-N 0 0 542.502 5.147 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000208700078 1071212984 /nfs/dbraw/zinc/21/29/84/1071212984.db2.gz FPOIUQOBDPOOLX-FBHDLOMBSA-N 0 0 536.889 7.640 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000208699454 1071213047 /nfs/dbraw/zinc/21/30/47/1071213047.db2.gz DDQAAIARAXUAJJ-PXNMLYILSA-N 0 0 513.276 6.243 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946484 1071267870 /nfs/dbraw/zinc/26/78/70/1071267870.db2.gz YOJLVIXMTHCVSS-NPRXSWCKSA-N 0 0 740.720 7.335 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944290 1071284393 /nfs/dbraw/zinc/28/43/93/1071284393.db2.gz UUFNWAMOTYAUKR-ZXXDOZTISA-N 0 0 696.269 7.225 40 10 KKCBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408683702 1071363471 /nfs/dbraw/zinc/36/34/71/1071363471.db2.gz NKLDGZHBLCLKPB-VSGBNLITSA-N 0 0 502.570 6.730 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)cc3)C(=O)[C@H]2C1 ZINC000408683701 1071363545 /nfs/dbraw/zinc/36/35/45/1071363545.db2.gz NKLDGZHBLCLKPB-NSOVKSMOSA-N 0 0 502.570 6.730 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408964703 1071417147 /nfs/dbraw/zinc/41/71/47/1071417147.db2.gz ZCNNOEDWERIAEH-ZDLGFXPLSA-N 0 0 570.192 7.683 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)c2C)c1 ZINC000408964483 1071417950 /nfs/dbraw/zinc/41/79/50/1071417950.db2.gz CPPMDYSEZCFMDP-UCQKPKSFSA-N 0 0 538.025 5.599 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408972734 1071449765 /nfs/dbraw/zinc/44/97/65/1071449765.db2.gz VXIHCMOUSLQBBG-NVMNQCDNSA-N 0 0 647.218 7.534 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408971698 1071451802 /nfs/dbraw/zinc/45/18/02/1071451802.db2.gz JODOTLYKUHQSNU-UHFFFAOYSA-N 0 0 523.383 5.014 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408970137 1071455969 /nfs/dbraw/zinc/45/59/69/1071455969.db2.gz BHNAVEXSZQQHBU-NVMNQCDNSA-N 0 0 600.218 7.692 40 10 KKCBRN COc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1I ZINC000408970119 1071456725 /nfs/dbraw/zinc/45/67/25/1071456725.db2.gz BASCPSUTUWTXKT-GHXNOFRVSA-N 0 0 598.100 5.253 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408969635 1071458081 /nfs/dbraw/zinc/45/80/81/1071458081.db2.gz RFMHSQHWNKABLP-YVLHZVERSA-N 0 0 708.643 7.477 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCCCC2)cc1 ZINC000408974692 1071478749 /nfs/dbraw/zinc/47/87/49/1071478749.db2.gz GTKWCEKNLZDRLV-UHFFFAOYSA-N 0 0 542.664 7.491 40 10 KKCBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)C1 ZINC000408974604 1071479517 /nfs/dbraw/zinc/47/95/17/1071479517.db2.gz FKBGIFAYRXKCCD-VWLOTQADSA-N 0 0 641.797 7.586 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408979019 1071481005 /nfs/dbraw/zinc/48/10/05/1071481005.db2.gz BNMGHKRMAKSUPL-JLHDDXNDSA-N 0 0 597.737 5.116 40 10 KKCBRN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)C=C2c2ccccc2)cc1 ZINC000408987071 1071481667 /nfs/dbraw/zinc/48/16/67/1071481667.db2.gz VKORMOYLHAMACD-HKOYGPOVSA-N 0 0 546.461 7.276 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1Br ZINC000408987275 1071481676 /nfs/dbraw/zinc/48/16/76/1071481676.db2.gz VRIHRFAEPVTDNR-CPNJWEJPSA-N 0 0 521.367 6.236 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986515 1071488899 /nfs/dbraw/zinc/48/88/99/1071488899.db2.gz MLYPBSZIKBLONS-DAIZXWHWSA-N 0 0 603.744 5.660 40 10 KKCBRN COc1ccc(OC)c(COc2ccc(C=C3C(=O)N(c4ccc(C)c(Cl)c4)C(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 ZINC000408985195 1071501765 /nfs/dbraw/zinc/50/17/65/1071501765.db2.gz AEFDUBCLEICPLK-UHFFFAOYSA-N 0 0 647.580 7.955 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408984766 1071505209 /nfs/dbraw/zinc/50/52/09/1071505209.db2.gz MQLYWGQIJZOMCK-MJASDKGPSA-N 0 0 605.760 5.984 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408724843 1071523986 /nfs/dbraw/zinc/52/39/86/1071523986.db2.gz BPXSGJYQLAUJRK-BKUYFWCQSA-N 0 0 618.430 5.833 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408725004 1071521747 /nfs/dbraw/zinc/52/17/47/1071521747.db2.gz ICSIDUJBDCTOJH-MTJSOVHGSA-N 0 0 509.521 5.710 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408723407 1071528243 /nfs/dbraw/zinc/52/82/43/1071528243.db2.gz UCBUBYGEAHQMCO-VXLYETTFSA-N 0 0 606.325 6.565 40 10 KKCBRN COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1I ZINC000408723421 1071528315 /nfs/dbraw/zinc/52/83/15/1071528315.db2.gz UHFRIKVNSWPXHB-ONNFQVAWSA-N 0 0 659.070 5.043 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408982178 1071528501 /nfs/dbraw/zinc/52/85/01/1071528501.db2.gz IVQHJQUGLPZQKB-DTDQMKFYSA-N 0 0 591.733 5.676 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408980590 1071539402 /nfs/dbraw/zinc/53/94/02/1071539402.db2.gz FWSVHNNVFAJQDD-LCQSEVKBSA-N 0 0 560.119 5.476 40 10 KKCBRN O=C(c1ccccc1I)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000408720220 1071545046 /nfs/dbraw/zinc/54/50/46/1071545046.db2.gz ZSFQAXXOPDZSCH-NTEUORMPSA-N 0 0 530.206 5.095 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408979445 1071545328 /nfs/dbraw/zinc/54/53/28/1071545328.db2.gz QPKLZPRBZMAWIZ-ZALJDRIPSA-N 0 0 757.894 7.358 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408979443 1071545494 /nfs/dbraw/zinc/54/54/94/1071545494.db2.gz QPKLZPRBZMAWIZ-DMYKZIHUSA-N 0 0 757.894 7.358 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408979393 1071544746 /nfs/dbraw/zinc/54/47/46/1071544746.db2.gz CIKKFLWETXOQGB-SLZKQOKCSA-N 0 0 605.760 5.984 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4c(C)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408995433 1071552078 /nfs/dbraw/zinc/55/20/78/1071552078.db2.gz CQKCBSNIQXWICQ-AJBULDERSA-N 0 0 526.661 7.667 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408995204 1071554167 /nfs/dbraw/zinc/55/41/67/1071554167.db2.gz LEBTZTVUNGEPFB-LHMNITIUSA-N 0 0 617.727 5.130 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 ZINC000408736097 1071557162 /nfs/dbraw/zinc/55/71/62/1071557162.db2.gz FFCMWOFWIVDAJB-SWYRRKHMSA-N 0 0 509.387 6.705 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994452 1071558387 /nfs/dbraw/zinc/55/83/87/1071558387.db2.gz HQZSYFXDYXRJDS-OREGWCPLSA-N 0 0 525.095 6.462 40 10 KKCBRN COc1ccc(NC(=O)CSC2=N[C@H](c3ccc(N(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 ZINC000408994086 1071559907 /nfs/dbraw/zinc/55/99/07/1071559907.db2.gz YJVKJRGDIBYMPR-HHHXNRCGSA-N 0 0 529.666 5.046 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408993230 1071566556 /nfs/dbraw/zinc/56/65/56/1071566556.db2.gz VFVWIYXBRUPXBJ-AARCXHMLSA-N 0 0 566.748 7.475 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733382 1071571940 /nfs/dbraw/zinc/57/19/40/1071571940.db2.gz HVSYPGAUEXTKOB-QARYAGPDSA-N 0 0 582.509 5.431 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733243 1071572806 /nfs/dbraw/zinc/57/28/06/1071572806.db2.gz GYWCDTTWLPPOOL-PRLWALMFSA-N 0 0 610.563 6.211 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408992231 1071573730 /nfs/dbraw/zinc/57/37/30/1071573730.db2.gz QXPMEJJVONMANT-UHFFFAOYSA-N 0 0 795.924 9.138 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Cl)c(Cl)c2)N1 ZINC000408991670 1071579119 /nfs/dbraw/zinc/57/91/19/1071579119.db2.gz QWEJMYHNNAJKRG-RUZDIDTESA-N 0 0 525.505 6.906 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(C)C ZINC000408991206 1071583051 /nfs/dbraw/zinc/58/30/51/1071583051.db2.gz PQVPDOROYBPVJB-UHFFFAOYSA-N 0 0 556.728 7.102 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408990999 1071585878 /nfs/dbraw/zinc/58/58/78/1071585878.db2.gz XHCSCPZNZDVBLV-MJASDKGPSA-N 0 0 654.188 6.014 40 10 KKCBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)OC(C)(C)OC3=O)c2-c2ccccc2)cc1 ZINC000408729280 1071592636 /nfs/dbraw/zinc/59/26/36/1071592636.db2.gz AUIQCIXRIUIQHI-UHFFFAOYSA-N 0 0 507.542 5.817 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408990123 1071592999 /nfs/dbraw/zinc/59/29/99/1071592999.db2.gz MRAPQRQJYHVWQK-UHFFFAOYSA-N 0 0 550.294 7.665 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408989138 1071598331 /nfs/dbraw/zinc/59/83/31/1071598331.db2.gz HCECMENRVPPOGC-UHFFFAOYSA-N 0 0 589.742 7.961 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408727574 1071599882 /nfs/dbraw/zinc/59/98/82/1071599882.db2.gz UHFGISNTEWKXCU-LXYLXTGBSA-N 0 0 671.988 5.772 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727337 1071600460 /nfs/dbraw/zinc/60/04/60/1071600460.db2.gz RFRNBLKPZUBHDZ-PSAPEEBNSA-N 0 0 622.703 5.276 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408727400 1071600507 /nfs/dbraw/zinc/60/05/07/1071600507.db2.gz RUTHFQZZVTVIGA-OXDPQRGISA-N 0 0 656.602 6.130 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(/C=c4\sc5n(c4=O)[C@@H](c4ccc(N(C)C)cc4)C(C(=O)Nc4ccccc4)=C(C)N=5)o3)sc2c1 ZINC000408988740 1071602648 /nfs/dbraw/zinc/60/26/48/1071602648.db2.gz FSZBDSNWZITYEY-PLNPHXOGSA-N 0 0 693.876 6.693 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000408739257 1071604989 /nfs/dbraw/zinc/60/49/89/1071604989.db2.gz ALBWJVSPLIAIOC-UHFFFAOYSA-N 0 0 533.584 5.422 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1I ZINC000408738515 1071608892 /nfs/dbraw/zinc/60/88/92/1071608892.db2.gz LFYYRQYGBMSKJX-NBVRZTHBSA-N 0 0 528.187 6.525 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408987840 1071609229 /nfs/dbraw/zinc/60/92/29/1071609229.db2.gz ZARYJHNBDDIGPL-FCDQGJHFSA-N 0 0 555.055 8.269 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3OCC)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408738204 1071610482 /nfs/dbraw/zinc/61/04/82/1071610482.db2.gz JCWDGJYCRKOVTI-AYKFIEGGSA-N 0 0 641.790 5.561 40 10 KKCBRN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408737804 1071613189 /nfs/dbraw/zinc/61/31/89/1071613189.db2.gz HMRLRJYRMQEVBT-HKOYGPOVSA-N 0 0 510.431 8.304 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408987296 1071613501 /nfs/dbraw/zinc/61/35/01/1071613501.db2.gz WBSMDONCPQEMSV-MTDXEUNCSA-N 0 0 536.115 8.678 40 10 KKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1 ZINC000408737492 1071614228 /nfs/dbraw/zinc/61/42/28/1071614228.db2.gz BPEDNENJFUJPDS-PXLXIMEGSA-N 0 0 500.381 7.927 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737326 1071614986 /nfs/dbraw/zinc/61/49/86/1071614986.db2.gz BTKGUKYCGVSOCK-UNDLXJOSSA-N 0 0 569.727 5.221 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408996403 1071619030 /nfs/dbraw/zinc/61/90/30/1071619030.db2.gz ICWRFWPYIXEZMZ-HAHDFKILSA-N 0 0 577.431 5.352 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408741966 1071622825 /nfs/dbraw/zinc/62/28/25/1071622825.db2.gz OPBWDAQNKCQGNT-UHFFFAOYSA-N 0 0 522.532 5.997 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408740947 1071627906 /nfs/dbraw/zinc/62/79/06/1071627906.db2.gz FKUKSNSAEOUDRT-VCHYOVAHSA-N 0 0 532.217 7.325 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408740971 1071627939 /nfs/dbraw/zinc/62/79/39/1071627939.db2.gz FXBFZKDBWUWKMW-UHFFFAOYSA-N 0 0 519.557 5.464 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002573 1071639692 /nfs/dbraw/zinc/63/96/92/1071639692.db2.gz VDYDPFLKQCHHHA-WOJGMQOQSA-N 0 0 625.144 7.912 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409002983 1071638645 /nfs/dbraw/zinc/63/86/45/1071638645.db2.gz XRNDWPQYKFPTQA-PLNPHXOGSA-N 0 0 640.230 6.718 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409002946 1071639208 /nfs/dbraw/zinc/63/92/08/1071639208.db2.gz XLDOOSTZXBUIGZ-CLCZQPDDSA-N 0 0 558.647 6.827 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3)C2=O)cc1OC ZINC000408755587 1071643639 /nfs/dbraw/zinc/64/36/39/1071643639.db2.gz QXQDWYGBHJPQDY-QGOAFFKASA-N 0 0 543.788 6.433 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cc(C)ccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409001292 1071645871 /nfs/dbraw/zinc/64/58/71/1071645871.db2.gz OWZZMDJBVNRCLY-SVXDAGRPSA-N 0 0 576.722 5.321 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1 ZINC000409001180 1071646656 /nfs/dbraw/zinc/64/66/56/1071646656.db2.gz VETUZYDVNPWPEV-IWVFXYMLSA-N 0 0 534.703 6.207 40 10 KKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408754429 1071651613 /nfs/dbraw/zinc/65/16/13/1071651613.db2.gz NIPVUNKZPFFYIQ-BUVRLJJBSA-N 0 0 532.235 7.199 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408999821 1071652629 /nfs/dbraw/zinc/65/26/29/1071652629.db2.gz SLXODSFEDCLZGL-AWNIVKPZSA-N 0 0 584.138 6.595 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408998949 1071656841 /nfs/dbraw/zinc/65/68/41/1071656841.db2.gz JNYKAMJOWZEGPW-RGDUZTMSSA-N 0 0 539.701 5.131 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408754237 1071652811 /nfs/dbraw/zinc/65/28/11/1071652811.db2.gz FMFNHXOESDIXRC-LLUAAJGHSA-N 0 0 646.725 6.074 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408999406 1071655336 /nfs/dbraw/zinc/65/53/36/1071655336.db2.gz CQRNGQCLNFLOOA-ZZAQJSIPSA-N 0 0 538.644 5.943 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Br)cc1 ZINC000408999054 1071655800 /nfs/dbraw/zinc/65/58/00/1071655800.db2.gz VZTSHPLPQJRXRR-KGENOOAVSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999085 1071656422 /nfs/dbraw/zinc/65/64/22/1071656422.db2.gz JZAGQYLAYFFWRF-FUAQWRKOSA-N 0 0 646.769 6.375 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408753657 1071656489 /nfs/dbraw/zinc/65/64/89/1071656489.db2.gz HCKGXBYVPBGEHS-XSFVSMFZSA-N 0 0 523.839 7.160 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408753365 1071657867 /nfs/dbraw/zinc/65/78/67/1071657867.db2.gz MEZQTOMNLKJCBB-RCCKNPSSSA-N 0 0 537.866 7.550 40 10 KKCBRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)Oc1ccccc1 ZINC000408998358 1071659637 /nfs/dbraw/zinc/65/96/37/1071659637.db2.gz LQAQZSZCLXFBTM-FFTPNAHUSA-N 0 0 503.562 6.922 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409016595 1071666015 /nfs/dbraw/zinc/66/60/15/1071666015.db2.gz DVCLGRPVZKLMHJ-ITYLOYPMSA-N 0 0 556.485 6.605 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409016244 1071668884 /nfs/dbraw/zinc/66/88/84/1071668884.db2.gz GBFRJPCSZSEZBC-ZTJHJZSNSA-N 0 0 650.595 5.294 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409016185 1071668887 /nfs/dbraw/zinc/66/88/87/1071668887.db2.gz DNVUGOWLIHTLOI-MFKUBSTISA-N 0 0 512.997 5.491 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408751654 1071669622 /nfs/dbraw/zinc/66/96/22/1071669622.db2.gz BENVIFQAEOJCLD-HAVVHWLPSA-N 0 0 502.039 6.854 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409015402 1071671357 /nfs/dbraw/zinc/67/13/57/1071671357.db2.gz ABSMKQKUIQPZGS-QGOAFFKASA-N 0 0 517.445 5.200 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015516 1071671928 /nfs/dbraw/zinc/67/19/28/1071671928.db2.gz ZYJOHCNPHXONKI-VUTHCHCSSA-N 0 0 647.149 6.518 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409014696 1071674549 /nfs/dbraw/zinc/67/45/49/1071674549.db2.gz YCDKABYJFSHBIU-MTJSOVHGSA-N 0 0 515.824 6.932 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014459 1071676090 /nfs/dbraw/zinc/67/60/90/1071676090.db2.gz PJLXLCKOOCPYKX-HYARGMPZSA-N 0 0 568.913 7.213 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409014099 1071676708 /nfs/dbraw/zinc/67/67/08/1071676708.db2.gz FBBKZDZFRQITES-OHZLDYPRSA-N 0 0 644.841 6.533 40 10 KKCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013727 1071679342 /nfs/dbraw/zinc/67/93/42/1071679342.db2.gz NUMKMKYOMAXZAX-JVWAILMASA-N 0 0 583.106 5.714 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013581 1071679720 /nfs/dbraw/zinc/67/97/20/1071679720.db2.gz BPOVQWAEQZYYFK-LQKURTRISA-N 0 0 639.004 8.197 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409013172 1071681493 /nfs/dbraw/zinc/68/14/93/1071681493.db2.gz LWRNMRYEZLOOTN-UVPCLOGWSA-N 0 0 504.608 5.661 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012818 1071682532 /nfs/dbraw/zinc/68/25/32/1071682532.db2.gz LCSIFCPZRRMYIE-MTDXEUNCSA-N 0 0 686.013 7.898 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409012679 1071683086 /nfs/dbraw/zinc/68/30/86/1071683086.db2.gz LBLZBVJUUFVRGS-UXHLAJHPSA-N 0 0 685.120 7.529 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010881 1071689541 /nfs/dbraw/zinc/68/95/41/1071689541.db2.gz GAYAQJDJHZPAAH-NDZAJKAJSA-N 0 0 633.122 6.210 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409010982 1071689759 /nfs/dbraw/zinc/68/97/59/1071689759.db2.gz FBHODGQGGPJZKD-STZFKDTASA-N 0 0 556.844 5.535 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409010739 1071689799 /nfs/dbraw/zinc/68/97/99/1071689799.db2.gz DJPHVUNXUQTRHZ-UXHLAJHPSA-N 0 0 696.019 7.272 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010420 1071692575 /nfs/dbraw/zinc/69/25/75/1071692575.db2.gz KKSOFMOSHJVHPY-LFVJCYFKSA-N 0 0 500.023 5.907 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409010019 1071693210 /nfs/dbraw/zinc/69/32/10/1071693210.db2.gz JDJXOJKBVGJKDP-AJBULDERSA-N 0 0 602.753 6.293 40 10 KKCBRN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409009815 1071694708 /nfs/dbraw/zinc/69/47/08/1071694708.db2.gz IJLJGFXZLFXZKD-UHFFFAOYSA-N 0 0 559.659 5.790 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409009471 1071695682 /nfs/dbraw/zinc/69/56/82/1071695682.db2.gz AHEOCHFQVPPECP-UCQKPKSFSA-N 0 0 525.432 6.677 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009225 1071696626 /nfs/dbraw/zinc/69/66/26/1071696626.db2.gz CCGFGQRCFUSXMG-JVWAILMASA-N 0 0 689.976 7.647 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009110 1071697306 /nfs/dbraw/zinc/69/73/06/1071697306.db2.gz BLGLMIYIQQFHAI-OVVQPSECSA-N 0 0 621.086 6.340 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409007615 1071702980 /nfs/dbraw/zinc/70/29/80/1071702980.db2.gz PUVJEIDGNBXGBB-UHFFFAOYSA-N 0 0 571.674 5.004 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409008604 1071698858 /nfs/dbraw/zinc/69/88/58/1071698858.db2.gz YOIQSKVKTFIUJU-UHFFFAOYSA-N 0 0 547.636 5.761 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1C ZINC000409008471 1071699879 /nfs/dbraw/zinc/69/98/79/1071699879.db2.gz WQKKIFJAOSXKKK-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409008489 1071699935 /nfs/dbraw/zinc/69/99/35/1071699935.db2.gz XAYGJNXLBAMOBG-UHFFFAOYSA-N 0 0 747.440 7.828 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408759579 1071701085 /nfs/dbraw/zinc/70/10/85/1071701085.db2.gz HJKKHVXDBQIILC-DEDYPNTBSA-N 0 0 542.227 6.063 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409008227 1071701381 /nfs/dbraw/zinc/70/13/81/1071701381.db2.gz WVDUHINLKIKWHF-YVLHZVERSA-N 0 0 543.302 6.020 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000409007710 1071702113 /nfs/dbraw/zinc/70/21/13/1071702113.db2.gz QLOYBCNPTCCBHB-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C ZINC000408758069 1071707701 /nfs/dbraw/zinc/70/77/01/1071707701.db2.gz UVULPUXTYAIHRH-XKZIYDEJSA-N 0 0 510.379 5.517 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409024458 1071711269 /nfs/dbraw/zinc/71/12/69/1071711269.db2.gz SVUCPEJLDSZFQL-UFKHLRDRSA-N 0 0 620.775 5.434 40 10 KKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408757437 1071711627 /nfs/dbraw/zinc/71/16/27/1071711627.db2.gz NGLRHXOFROTGCA-ACXHZZMFSA-N 0 0 518.705 7.380 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409024153 1071712666 /nfs/dbraw/zinc/71/26/66/1071712666.db2.gz AHRUAEYVKLKGMI-LSCVHKIXSA-N 0 0 544.254 5.840 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000409024078 1071713118 /nfs/dbraw/zinc/71/31/18/1071713118.db2.gz UILBJSVYLNXERU-GOQPZEPVSA-N 0 0 631.754 5.438 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023633 1071714976 /nfs/dbraw/zinc/71/49/76/1071714976.db2.gz ZWZHCYPQOXMWSW-PYCBVSLESA-N 0 0 622.772 5.438 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021877 1071720948 /nfs/dbraw/zinc/72/09/48/1071720948.db2.gz CYFXFJLESFKDLL-SJXDCSIJSA-N 0 0 648.623 6.066 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409021903 1071720977 /nfs/dbraw/zinc/72/09/77/1071720977.db2.gz FEXKPSQWQPTYOK-ITYLOYPMSA-N 0 0 513.590 5.198 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409022533 1071718990 /nfs/dbraw/zinc/71/89/90/1071718990.db2.gz NIODGCHFHXRMBX-CVXNTFFOSA-N 0 0 708.631 5.081 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccccc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408766718 1071719067 /nfs/dbraw/zinc/71/90/67/1071719067.db2.gz DMQGKDSOFYRWPP-DUCIMOQJSA-N 0 0 573.718 5.743 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409021925 1071721373 /nfs/dbraw/zinc/72/13/73/1071721373.db2.gz FSVLJZDHQDVQFN-PRPIGUFTSA-N 0 0 677.823 6.243 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1cccc(C)c1 ZINC000409021535 1071722261 /nfs/dbraw/zinc/72/22/61/1071722261.db2.gz MDYXSNQJQJRKJU-UYXCRFNSSA-N 0 0 600.788 6.713 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408765989 1071722337 /nfs/dbraw/zinc/72/23/37/1071722337.db2.gz CJJNFCAHIMIOBQ-YCMYYBHNSA-N 0 0 712.666 6.653 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409021018 1071724384 /nfs/dbraw/zinc/72/43/84/1071724384.db2.gz WYAUJXKBGPHHKA-JVWAILMASA-N 0 0 750.882 8.271 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408765267 1071725097 /nfs/dbraw/zinc/72/50/97/1071725097.db2.gz XOFLBNMOYWPYGJ-JOHYPREOSA-N 0 0 664.740 5.269 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)c1 ZINC000408764972 1071726466 /nfs/dbraw/zinc/72/64/66/1071726466.db2.gz ATPSNHGLHQVIDY-PDKWVMPVSA-N 0 0 650.804 6.957 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020645 1071726611 /nfs/dbraw/zinc/72/66/11/1071726611.db2.gz RNJQGPLTCJXKQU-QNKGDIEWSA-N 0 0 675.203 7.299 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409020284 1071727426 /nfs/dbraw/zinc/72/74/26/1071727426.db2.gz NMILPAWVHVLXJD-VUTHCHCSSA-N 0 0 700.040 7.546 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408763535 1071732232 /nfs/dbraw/zinc/73/22/32/1071732232.db2.gz PNUPKUHCYUKHBN-XDHOZWIPSA-N 0 0 511.803 7.291 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408763936 1071730558 /nfs/dbraw/zinc/73/05/58/1071730558.db2.gz GPIGARMPPOTMNK-KGENOOAVSA-N 0 0 537.866 7.550 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409018783 1071731256 /nfs/dbraw/zinc/73/12/56/1071731256.db2.gz UTYDQCIWZOFWNV-VCLSCOGJSA-N 0 0 740.676 6.209 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409018613 1071731774 /nfs/dbraw/zinc/73/17/74/1071731774.db2.gz NHJDNOSTNYVXQW-FATJQOLTSA-N 0 0 616.743 5.376 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409018696 1071732216 /nfs/dbraw/zinc/73/22/16/1071732216.db2.gz XSZGLGFRFLICRO-NDZAJKAJSA-N 0 0 730.066 8.297 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409037249 1071737290 /nfs/dbraw/zinc/73/72/90/1071737290.db2.gz SWLDDFZCHGJVSB-GRSHGNNSSA-N 0 0 584.457 5.644 40 10 KKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1 ZINC000408762028 1071737638 /nfs/dbraw/zinc/73/76/38/1071737638.db2.gz BZRYHAWGFIFNBY-XDHOZWIPSA-N 0 0 538.810 7.060 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037000 1071737797 /nfs/dbraw/zinc/73/77/97/1071737797.db2.gz SDWAXABJPMLOMN-IYJCGXJPSA-N 0 0 691.850 6.581 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409018066 1071733950 /nfs/dbraw/zinc/73/39/50/1071733950.db2.gz QILQEOLLBWAZPA-QQMBNGEASA-N 0 0 662.208 5.743 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409017858 1071735259 /nfs/dbraw/zinc/73/52/59/1071735259.db2.gz GFKTZHCPRHGFGC-QVWJKXSPSA-N 0 0 539.053 6.314 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409036493 1071741962 /nfs/dbraw/zinc/74/19/62/1071741962.db2.gz LJCZLWIQLZNJAH-YNMQQHPQSA-N 0 0 625.147 5.139 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409036368 1071743842 /nfs/dbraw/zinc/74/38/42/1071743842.db2.gz RCUZHVBVXQTLFH-OVCLIPMQSA-N 0 0 533.409 5.684 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000409035973 1071748380 /nfs/dbraw/zinc/74/83/80/1071748380.db2.gz UXQDDMDILQJIIG-BOPFTXTBSA-N 0 0 577.336 8.227 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000409035699 1071748430 /nfs/dbraw/zinc/74/84/30/1071748430.db2.gz QBLGAVINTSGPCF-VGOFMYFVSA-N 0 0 710.178 6.976 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000409035772 1071748915 /nfs/dbraw/zinc/74/89/15/1071748915.db2.gz QFEYGDUXPCQBBD-GIDUJCDVSA-N 0 0 580.893 6.548 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409035383 1071753070 /nfs/dbraw/zinc/75/30/70/1071753070.db2.gz PSMFBOLHLMTTOB-LICLKQGHSA-N 0 0 503.383 5.675 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c2n1Cc1ccc(Cl)cc1Cl ZINC000409035635 1071750256 /nfs/dbraw/zinc/75/02/56/1071750256.db2.gz JSVCVGOXXZZYOE-KEBDBYFISA-N 0 0 542.388 7.837 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCC(C)C ZINC000409035443 1071750553 /nfs/dbraw/zinc/75/05/53/1071750553.db2.gz JAGYCNYMGNICFA-MLPAPPSSSA-N 0 0 547.318 6.384 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000408774832 1071758496 /nfs/dbraw/zinc/75/84/96/1071758496.db2.gz NNBXVZLDCKCBIF-IVQFASICSA-N 0 0 620.190 6.902 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409034026 1071764580 /nfs/dbraw/zinc/76/45/80/1071764580.db2.gz GVNLNEPYCUGVAY-QRVIBDJDSA-N 0 0 569.505 7.314 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409033766 1071767376 /nfs/dbraw/zinc/76/73/76/1071767376.db2.gz LPJCCBFBBSRDDO-LZYBPNLTSA-N 0 0 581.881 6.728 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408772492 1071772920 /nfs/dbraw/zinc/77/29/20/1071772920.db2.gz MCFCBHDWBGEDQE-ONUIUJJFSA-N 0 0 502.611 5.008 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409032803 1071775314 /nfs/dbraw/zinc/77/53/14/1071775314.db2.gz JJWFEVXRPUFNTD-MLPAPPSSSA-N 0 0 732.068 8.441 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408771557 1071780744 /nfs/dbraw/zinc/78/07/44/1071780744.db2.gz HXCFMIPGYIFEME-OYKKKHCWSA-N 0 0 581.850 5.997 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(I)cc1 ZINC000408770745 1071784502 /nfs/dbraw/zinc/78/45/02/1071784502.db2.gz BUGCGXWEAJMMOL-HYARGMPZSA-N 0 0 524.358 5.685 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000409031751 1071785050 /nfs/dbraw/zinc/78/50/50/1071785050.db2.gz KVBINZNFPSAIFA-GWRYVSOYSA-N 0 0 730.068 6.561 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409031188 1071790125 /nfs/dbraw/zinc/79/01/25/1071790125.db2.gz JFVUJPDSAQSWRB-NDENLUEZSA-N 0 0 506.487 6.284 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000409031862 1071786120 /nfs/dbraw/zinc/78/61/20/1071786120.db2.gz BCEBDOXMZKUURH-VIZOYTHASA-N 0 0 606.172 7.837 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)c1 ZINC000408770363 1071786675 /nfs/dbraw/zinc/78/66/75/1071786675.db2.gz WNLGXLRJCLPRMK-HVDVVURSSA-N 0 0 653.602 6.053 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409031595 1071788148 /nfs/dbraw/zinc/78/81/48/1071788148.db2.gz HOJNGILCGILSCY-OVCLIPMQSA-N 0 0 618.727 7.025 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409031102 1071791681 /nfs/dbraw/zinc/79/16/81/1071791681.db2.gz IURBCNSQBAFCBY-RGVLZGJSSA-N 0 0 631.395 8.082 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409030890 1071792600 /nfs/dbraw/zinc/79/26/00/1071792600.db2.gz FVBUBLMRDRWLSZ-LHHJGKSTSA-N 0 0 591.747 7.736 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409030732 1071794167 /nfs/dbraw/zinc/79/41/67/1071794167.db2.gz HPGMOLQFEAUGGT-CHHVJCJISA-N 0 0 650.623 7.946 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409030787 1071794188 /nfs/dbraw/zinc/79/41/88/1071794188.db2.gz FPCVGUZBHKMINP-VIZOYTHASA-N 0 0 585.298 6.677 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768752 1071798737 /nfs/dbraw/zinc/79/87/37/1071798737.db2.gz KCBIOHHNWADGQU-CJCCVFIKSA-N 0 0 705.458 6.292 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030208 1071800479 /nfs/dbraw/zinc/80/04/79/1071800479.db2.gz DUGMVYFJKAPXCA-ADVVJVSQSA-N 0 0 753.849 5.874 40 10 KKCBRN CCOC(=O)c1ccc(Cn2c(C)c(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c3ccccc32)cc1 ZINC000409030249 1071801062 /nfs/dbraw/zinc/80/10/62/1071801062.db2.gz CRAWJXHHISKADF-MOSHPQCFSA-N 0 0 567.514 6.676 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408768299 1071802339 /nfs/dbraw/zinc/80/23/39/1071802339.db2.gz VUNVLVWQIUFNEA-CPYLFOLBSA-N 0 0 510.590 5.446 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)SC1=S ZINC000409029620 1071805938 /nfs/dbraw/zinc/80/59/38/1071805938.db2.gz BCUXMNMLVNNZAN-ODLFYWEKSA-N 0 0 509.434 5.727 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409037987 1071819294 /nfs/dbraw/zinc/81/92/94/1071819294.db2.gz ZCWZRAOYTIYPQZ-WUXMJOGZSA-N 0 0 532.849 5.182 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1Cl ZINC000409046549 1071831498 /nfs/dbraw/zinc/83/14/98/1071831498.db2.gz RNEXBSZTIOOYBE-NVNXTCNLSA-N 0 0 601.753 7.192 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409046159 1071835401 /nfs/dbraw/zinc/83/54/01/1071835401.db2.gz IXIHDUXSOIYSPF-UHFFFAOYSA-N 0 0 687.490 6.291 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409045387 1071840658 /nfs/dbraw/zinc/84/06/58/1071840658.db2.gz GNKAYKVZHUULQP-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408777907 1071840705 /nfs/dbraw/zinc/84/07/05/1071840705.db2.gz LOUKIAZJDUIYEK-MYYYXRDXSA-N 0 0 532.980 5.243 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408778503 1071837010 /nfs/dbraw/zinc/83/70/10/1071837010.db2.gz GLZZDZAEPGDOCT-VEILYXNESA-N 0 0 674.560 7.244 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c2n1Cc1ccccc1Cl ZINC000409045856 1071838374 /nfs/dbraw/zinc/83/83/74/1071838374.db2.gz JADYWVWEIFKKIM-WOJGMQOQSA-N 0 0 543.923 7.461 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408786924 1071845927 /nfs/dbraw/zinc/84/59/27/1071845927.db2.gz XUAIPPGGDFQCLP-HGGMLFSRSA-N 0 0 673.835 6.643 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408786215 1071851617 /nfs/dbraw/zinc/85/16/17/1071851617.db2.gz HDOSHJIUROMDCL-OYKKKHCWSA-N 0 0 565.395 5.483 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(F)cc1 ZINC000409043713 1071858234 /nfs/dbraw/zinc/85/82/34/1071858234.db2.gz ZGWBYZFTJOYTMF-YBEGLDIGSA-N 0 0 506.402 5.915 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409043476 1071858843 /nfs/dbraw/zinc/85/88/43/1071858843.db2.gz FMADVISSJCEDRE-JAYSWQADSA-N 0 0 566.510 5.513 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccccc4)c3C)sc2=N1 ZINC000409043156 1071860627 /nfs/dbraw/zinc/86/06/27/1071860627.db2.gz ZTVPZHQZPOWXQJ-NULZLWRNSA-N 0 0 590.145 5.648 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043201 1071861331 /nfs/dbraw/zinc/86/13/31/1071861331.db2.gz YDKQMQSDDUHXCN-LMGFFNHESA-N 0 0 753.849 5.874 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408783672 1071869683 /nfs/dbraw/zinc/86/96/83/1071869683.db2.gz PWMRSJJMAIMCJF-SWYXWEQBSA-N 0 0 526.589 5.147 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042509 1071870498 /nfs/dbraw/zinc/87/04/98/1071870498.db2.gz XZLVSAXKLFGJQZ-JNBZWXGDSA-N 0 0 782.897 6.216 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409041770 1071877630 /nfs/dbraw/zinc/87/76/30/1071877630.db2.gz VPDOHBAEWIRYJX-SXGWCWSVSA-N 0 0 527.276 7.074 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409042394 1071872183 /nfs/dbraw/zinc/87/21/83/1071872183.db2.gz KOKUWOPUIXYWKL-MKMNVTDBSA-N 0 0 634.168 7.431 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408783243 1071872502 /nfs/dbraw/zinc/87/25/02/1071872502.db2.gz LPTHHNPSDYSRDY-MYYYXRDXSA-N 0 0 535.438 5.738 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041387 1071879435 /nfs/dbraw/zinc/87/94/35/1071879435.db2.gz VGZKLFDVPFRLPM-FVUNBJOLSA-N 0 0 627.763 5.204 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409040657 1071886900 /nfs/dbraw/zinc/88/69/00/1071886900.db2.gz TXDXPODYODDXLW-LHHJGKSTSA-N 0 0 636.198 7.845 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OCC)cc2)c1C ZINC000408791330 1071890361 /nfs/dbraw/zinc/89/03/61/1071890361.db2.gz WCORVQWNUWRPEQ-ONUIUJJFSA-N 0 0 505.014 6.414 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000409040452 1071890901 /nfs/dbraw/zinc/89/09/01/1071890901.db2.gz XVBOHKSNOLJHPU-AWNIVKPZSA-N 0 0 744.623 7.630 40 10 KKCBRN CCOc1c(I)cc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409039339 1071898618 /nfs/dbraw/zinc/89/86/18/1071898618.db2.gz QLSAFRRXIFXUBT-YHYXMXQVSA-N 0 0 601.107 5.954 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408789636 1071894954 /nfs/dbraw/zinc/89/49/54/1071894954.db2.gz NLGJLNONILCIKV-IWIPYMOSSA-N 0 0 520.944 5.374 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409039702 1071896248 /nfs/dbraw/zinc/89/62/48/1071896248.db2.gz RWDORCAMKUCTNG-PXNMLYILSA-N 0 0 571.329 7.473 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000409039751 1071896812 /nfs/dbraw/zinc/89/68/12/1071896812.db2.gz RZYYZZVUNHOLOM-CXUHLZMHSA-N 0 0 581.335 6.928 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409039526 1071898189 /nfs/dbraw/zinc/89/81/89/1071898189.db2.gz RIUYGTCYKRYYTC-SXGWCWSVSA-N 0 0 571.727 7.183 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)sc2=N1 ZINC000409038915 1071902909 /nfs/dbraw/zinc/90/29/09/1071902909.db2.gz PWGIYZKPWLKUEE-MRWVFDTMSA-N 0 0 650.628 6.530 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Br)cc1 ZINC000409038734 1071906312 /nfs/dbraw/zinc/90/63/12/1071906312.db2.gz VREKKBRFUIHCOJ-PXNMLYILSA-N 0 0 693.204 7.143 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)sc2=N1 ZINC000409050721 1071911205 /nfs/dbraw/zinc/91/12/05/1071911205.db2.gz YYSWPYHDRHDDFN-NBQDTTAVSA-N 0 0 662.208 5.825 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409056909 1071918286 /nfs/dbraw/zinc/91/82/86/1071918286.db2.gz FHSAKSVLVSLFIV-ITYLOYPMSA-N 0 0 514.622 5.335 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409056723 1071919278 /nfs/dbraw/zinc/91/92/78/1071919278.db2.gz HXLCPCUCHAHGJO-UCQKPKSFSA-N 0 0 505.412 6.042 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056847 1071919781 /nfs/dbraw/zinc/91/97/81/1071919781.db2.gz OMRSEGTUFVYXGT-FHMSYZJOSA-N 0 0 624.601 5.340 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409056275 1071921975 /nfs/dbraw/zinc/92/19/75/1071921975.db2.gz BYVDQTFQBXJRKB-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409056148 1071923083 /nfs/dbraw/zinc/92/30/83/1071923083.db2.gz FJIBIHZFAADUHM-NHDPSOOVSA-N 0 0 549.376 7.297 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409055755 1071925621 /nfs/dbraw/zinc/92/56/21/1071925621.db2.gz AWBLAQKQXBGEOY-NJGZBDCRSA-N 0 0 581.763 5.258 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000409055782 1071925717 /nfs/dbraw/zinc/92/57/17/1071925717.db2.gz BCJHBWWHHGTTGG-QRVIBDJDSA-N 0 0 539.857 6.696 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409054987 1071930025 /nfs/dbraw/zinc/93/00/25/1071930025.db2.gz OURXXLSRASZFHW-AQHIEDMUSA-N 0 0 560.275 7.041 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409054656 1071933676 /nfs/dbraw/zinc/93/36/76/1071933676.db2.gz AWVOBYHHTSAOJW-UQQQWYQISA-N 0 0 500.595 5.687 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409054081 1071936707 /nfs/dbraw/zinc/93/67/07/1071936707.db2.gz MKDWCWFUHOAGLO-LHUFKXPTSA-N 0 0 595.765 5.731 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409053128 1071941811 /nfs/dbraw/zinc/94/18/11/1071941811.db2.gz KYTCIQBGUMUJFC-UUYOSTAYSA-N 0 0 505.398 6.655 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)SC2=S)cc1 ZINC000409052299 1071947763 /nfs/dbraw/zinc/94/77/63/1071947763.db2.gz HABXXZYGELJOMY-UUYOSTAYSA-N 0 0 607.364 7.640 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409052401 1071946411 /nfs/dbraw/zinc/94/64/11/1071946411.db2.gz DPKAEIXUJWMHBF-YSMPRRRNSA-N 0 0 503.042 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409051150 1071954125 /nfs/dbraw/zinc/95/41/25/1071954125.db2.gz AUNPCGWNURQLQU-XKZIYDEJSA-N 0 0 511.405 6.287 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc(F)cc1 ZINC000409050318 1071957804 /nfs/dbraw/zinc/95/78/04/1071957804.db2.gz UKAQELNIFMAHKS-CHHVJCJISA-N 0 0 728.168 7.116 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)sc2=N1 ZINC000409050522 1071956730 /nfs/dbraw/zinc/95/67/30/1071956730.db2.gz WSVPLKDDDKFSDD-DUCIMOQJSA-N 0 0 621.734 5.924 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049784 1071962092 /nfs/dbraw/zinc/96/20/92/1071962092.db2.gz YRLSKTNOWGMPRN-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409049205 1071966121 /nfs/dbraw/zinc/96/61/21/1071966121.db2.gz YEWWAODGMJTPJD-OVCLIPMQSA-N 0 0 616.178 7.292 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409059577 1071980425 /nfs/dbraw/zinc/98/04/25/1071980425.db2.gz SFEDXOWYFIYYMB-FMCGGJTJSA-N 0 0 509.433 6.895 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409058511 1071986653 /nfs/dbraw/zinc/98/66/53/1071986653.db2.gz PDWAHTAEAILGKH-UCQKPKSFSA-N 0 0 549.421 5.520 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409058496 1071986676 /nfs/dbraw/zinc/98/66/76/1071986676.db2.gz YAESNWSFDDGFHK-UCQKPKSFSA-N 0 0 553.442 6.455 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409058262 1071988638 /nfs/dbraw/zinc/98/86/38/1071988638.db2.gz KCKSYFTVVAPBIC-IAOUMNOZSA-N 0 0 624.601 5.340 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409058005 1071990100 /nfs/dbraw/zinc/99/01/00/1071990100.db2.gz REBNSGTWYJIRAX-UKWGHVSLSA-N 0 0 550.269 7.585 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409066988 1071999247 /nfs/dbraw/zinc/99/92/47/1071999247.db2.gz IPFKFEZOCYHYNI-CLNXTWJPSA-N 0 0 644.591 5.307 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409064347 1072015514 /nfs/dbraw/zinc/01/55/14/1072015514.db2.gz PANILGYWJQANMQ-BIWBSIMWSA-N 0 0 546.092 5.168 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409064930 1072011270 /nfs/dbraw/zinc/01/12/70/1072011270.db2.gz QZGBKSVYIQKABB-IMUCPKNRSA-N 0 0 742.079 6.482 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409062624 1072023319 /nfs/dbraw/zinc/02/33/19/1072023319.db2.gz XWYKFGXYFBFWJS-OYKKKHCWSA-N 0 0 505.412 6.042 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409062277 1072024842 /nfs/dbraw/zinc/02/48/42/1072024842.db2.gz REMLLKQHPHWZTF-QRVIBDJDSA-N 0 0 509.433 6.895 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409062360 1072025129 /nfs/dbraw/zinc/02/51/29/1072025129.db2.gz SMNIHUXHMWNYCC-RGFRMHDHSA-N 0 0 624.601 5.258 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409062352 1072025147 /nfs/dbraw/zinc/02/51/47/1072025147.db2.gz SJWHDHUEBJQELZ-PKAZHMFMSA-N 0 0 512.606 5.765 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409062041 1072025961 /nfs/dbraw/zinc/02/59/61/1072025961.db2.gz MHXPUEKMDGEPPR-IWIPYMOSSA-N 0 0 549.023 5.810 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000409061010 1072031389 /nfs/dbraw/zinc/03/13/89/1072031389.db2.gz BKDPQQYADBRCCG-HMAPJEAMSA-N 0 0 509.433 6.895 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409060636 1072033808 /nfs/dbraw/zinc/03/38/08/1072033808.db2.gz RPFMMSZVBQTODB-ITYLOYPMSA-N 0 0 528.605 5.547 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409061462 1072029519 /nfs/dbraw/zinc/02/95/19/1072029519.db2.gz XJCAVLZFMCCFHT-UCQKPKSFSA-N 0 0 505.014 6.250 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409060187 1072036524 /nfs/dbraw/zinc/03/65/24/1072036524.db2.gz ZLBBLIRYKNEJNQ-OYKKKHCWSA-N 0 0 508.540 6.607 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409074493 1072040942 /nfs/dbraw/zinc/04/09/42/1072040942.db2.gz MCLKZOSCZUNYAB-UHFFFAOYSA-N 0 0 603.450 5.800 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077170 1072041373 /nfs/dbraw/zinc/04/13/73/1072041373.db2.gz DJDYJICJDHKTKL-IWIPYMOSSA-N 0 0 517.387 7.546 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)S1 ZINC000409077093 1072043266 /nfs/dbraw/zinc/04/32/66/1072043266.db2.gz CUWZMNUMFREARQ-LZYBPNLTSA-N 0 0 544.652 5.550 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409071901 1072085485 /nfs/dbraw/zinc/08/54/85/1072085485.db2.gz QHNONGGWNIQGTC-NSQMGQQPSA-N 0 0 576.766 5.906 40 10 KKCBRN COc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br ZINC000409079108 1072138147 /nfs/dbraw/zinc/13/81/47/1072138147.db2.gz JVWOYHIWLLWBLH-PDGQHHTCSA-N 0 0 512.201 6.055 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409078271 1072147377 /nfs/dbraw/zinc/14/73/77/1072147377.db2.gz IFJOEZGFXYSELH-IWIPYMOSSA-N 0 0 622.744 8.279 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077995 1072151010 /nfs/dbraw/zinc/15/10/10/1072151010.db2.gz HCBAYCZGPVAMKT-JLPGSUDCSA-N 0 0 517.387 7.546 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087086 1072158232 /nfs/dbraw/zinc/15/82/32/1072158232.db2.gz AMCWHXGVFDQROR-ZTJHJZSNSA-N 0 0 668.585 5.515 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409077462 1072154204 /nfs/dbraw/zinc/15/42/04/1072154204.db2.gz FGNDPRHWXPNMKE-IVQFASICSA-N 0 0 627.141 6.083 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409077463 1072154272 /nfs/dbraw/zinc/15/42/72/1072154272.db2.gz FGNDPRHWXPNMKE-SELCLYCASA-N 0 0 627.141 6.083 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409085434 1072178927 /nfs/dbraw/zinc/17/89/27/1072178927.db2.gz ZLQVSRLOOCSXLF-IWIPYMOSSA-N 0 0 606.289 7.764 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084471 1072188103 /nfs/dbraw/zinc/18/81/03/1072188103.db2.gz PKXREOGMBQIEKX-UHFFFAOYSA-N 0 0 637.954 7.651 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084558 1072189039 /nfs/dbraw/zinc/18/90/39/1072189039.db2.gz MHAPOHMPJDORTH-DMOKECBHSA-N 0 0 559.334 6.715 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)NC1=S ZINC000409084332 1072190199 /nfs/dbraw/zinc/19/01/99/1072190199.db2.gz XPBKCAGWXDWKEQ-WQRHYEAKSA-N 0 0 509.853 5.548 40 10 KKCBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083813 1072197042 /nfs/dbraw/zinc/19/70/42/1072197042.db2.gz LOQKXYADFFTPIJ-FRKPEAEDSA-N 0 0 587.328 5.586 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409083192 1072202946 /nfs/dbraw/zinc/20/29/46/1072202946.db2.gz VAJLLLJICRVHJB-MYYYXRDXSA-N 0 0 622.346 8.568 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1C[C@H]1CCCO1 ZINC000409083269 1072203754 /nfs/dbraw/zinc/20/37/54/1072203754.db2.gz NWYYNTOQSYXFFG-LELXDKESSA-N 0 0 508.434 5.547 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082972 1072206646 /nfs/dbraw/zinc/20/66/46/1072206646.db2.gz UDBYEUHUICKEJS-XYGWBWBKSA-N 0 0 622.744 8.279 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082277 1072212453 /nfs/dbraw/zinc/21/24/53/1072212453.db2.gz RYAXJGOWWAGMCW-BWAHOGKJSA-N 0 0 509.403 6.863 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409081988 1072215965 /nfs/dbraw/zinc/21/59/65/1072215965.db2.gz RCVKLUQNWKMNBN-XYGWBWBKSA-N 0 0 539.975 6.670 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081926 1072218849 /nfs/dbraw/zinc/21/88/49/1072218849.db2.gz IITMXVQIKHNLLP-KQWNVCNZSA-N 0 0 549.435 6.596 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409096827 1072231849 /nfs/dbraw/zinc/23/18/49/1072231849.db2.gz FCNHBFVOQLHQAZ-JFLMPSFJSA-N 0 0 609.531 8.370 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095678 1072239527 /nfs/dbraw/zinc/23/95/27/1072239527.db2.gz DFTNGWRBJJKBAF-JLKMOJGBSA-N 0 0 631.198 5.260 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409095961 1072237651 /nfs/dbraw/zinc/23/76/51/1072237651.db2.gz IXMRNRNGQRNYJV-UXHLAJHPSA-N 0 0 612.151 8.449 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409327298 1072240993 /nfs/dbraw/zinc/24/09/93/1072240993.db2.gz IZAZAQJGJBPYDU-QRVIBDJDSA-N 0 0 570.048 6.070 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409327035 1072243130 /nfs/dbraw/zinc/24/31/30/1072243130.db2.gz GXIBOPUBOGTJEI-HMAPJEAMSA-N 0 0 502.444 6.857 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409327040 1072243143 /nfs/dbraw/zinc/24/31/43/1072243143.db2.gz GZUHGFMAOQMYGH-LFVJCYFKSA-N 0 0 616.546 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409327078 1072243156 /nfs/dbraw/zinc/24/31/56/1072243156.db2.gz HPROHMDNUBNEGH-MFKUBSTISA-N 0 0 510.080 7.340 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1C ZINC000409326450 1072247638 /nfs/dbraw/zinc/24/76/38/1072247638.db2.gz BVQFTEFTYUMILY-SSDVNMTOSA-N 0 0 609.445 8.191 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)SC1=S ZINC000409326818 1072243604 /nfs/dbraw/zinc/24/36/04/1072243604.db2.gz DWMRDEGSYNYRCU-UNOMPAQXSA-N 0 0 584.457 5.788 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409326826 1072243720 /nfs/dbraw/zinc/24/37/20/1072243720.db2.gz FANXOKLXMRSYSY-SSDVNMTOSA-N 0 0 636.343 7.113 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409327084 1072243742 /nfs/dbraw/zinc/24/37/42/1072243742.db2.gz HSBZOOVZMCTMNA-ZDLGFXPLSA-N 0 0 629.282 6.463 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409326884 1072244042 /nfs/dbraw/zinc/24/40/42/1072244042.db2.gz FXHFTQUDJQPSAB-FSJBWODESA-N 0 0 570.486 6.561 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409326713 1072244857 /nfs/dbraw/zinc/24/48/57/1072244857.db2.gz DTQJNLCHOQKMQI-WGOQTCKBSA-N 0 0 532.687 6.550 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409326710 1072244917 /nfs/dbraw/zinc/24/49/17/1072244917.db2.gz DTBHUZDSKHDKMS-FSGOGVSDSA-N 0 0 626.597 9.139 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409326587 1072246329 /nfs/dbraw/zinc/24/63/29/1072246329.db2.gz CJSJPJHTPZKBME-CIAFOILYSA-N 0 0 561.866 6.996 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409094018 1072249164 /nfs/dbraw/zinc/24/91/64/1072249164.db2.gz COSVIPCJVFXBFL-NNAGEYCMSA-N 0 0 680.612 5.124 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409094023 1072249212 /nfs/dbraw/zinc/24/92/12/1072249212.db2.gz COSVIPCJVFXBFL-PQRKSKNISA-N 0 0 680.612 5.124 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409326331 1072249443 /nfs/dbraw/zinc/24/94/43/1072249443.db2.gz AIXVRWUERVQFPV-MFKUBSTISA-N 0 0 504.080 6.815 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)SC2=S)cc1 ZINC000409326356 1072249469 /nfs/dbraw/zinc/24/94/69/1072249469.db2.gz AVMJYLCLJOEFKN-XYGWBWBKSA-N 0 0 550.658 5.526 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409326334 1072249523 /nfs/dbraw/zinc/24/95/23/1072249523.db2.gz AKEVNADXKWCORR-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092325 1072264869 /nfs/dbraw/zinc/26/48/69/1072264869.db2.gz UJYPTWORLHMTHU-LICLKQGHSA-N 0 0 576.827 5.634 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409091992 1072266741 /nfs/dbraw/zinc/26/67/41/1072266741.db2.gz SCRWIOUIJRGSDD-OYKKKHCWSA-N 0 0 655.319 8.020 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409091786 1072267441 /nfs/dbraw/zinc/26/74/41/1072267441.db2.gz UQPUBXYKAYZNTI-SWBDNCPRSA-N 0 0 618.803 5.981 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409091573 1072271040 /nfs/dbraw/zinc/27/10/40/1072271040.db2.gz RLPSNVXNZWKWOD-WSLMLHKMSA-N 0 0 614.337 6.079 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409090158 1072282545 /nfs/dbraw/zinc/28/25/45/1072282545.db2.gz LSPAGKAANWPXCX-IWIPYMOSSA-N 0 0 533.842 8.060 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409090303 1072281561 /nfs/dbraw/zinc/28/15/61/1072281561.db2.gz OSDYMTKJFZOZJK-CFKHXJFWSA-N 0 0 617.530 6.412 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409090304 1072281593 /nfs/dbraw/zinc/28/15/93/1072281593.db2.gz OSDYMTKJFZOZJK-DEYGKZMTSA-N 0 0 617.530 6.412 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Cl)cc1 ZINC000409090126 1072284981 /nfs/dbraw/zinc/28/49/81/1072284981.db2.gz LEJHHVNULJCSHV-JLPGSUDCSA-N 0 0 563.462 6.904 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409087897 1072304322 /nfs/dbraw/zinc/30/43/22/1072304322.db2.gz UWPMYWINXBUHCZ-LELXDKESSA-N 0 0 565.467 5.325 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087883 1072304033 /nfs/dbraw/zinc/30/40/33/1072304033.db2.gz UUWPFTGNTZDSJX-VCHYOVAHSA-N 0 0 508.874 5.763 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409087532 1072306682 /nfs/dbraw/zinc/30/66/82/1072306682.db2.gz BJXCDHMCKYWSMC-ONUIUJJFSA-N 0 0 600.456 7.022 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409099552 1072324882 /nfs/dbraw/zinc/32/48/82/1072324882.db2.gz UDLWMEUQIZOADS-MFKUBSTISA-N 0 0 504.608 5.661 40 10 KKCBRN COc1cc(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1O ZINC000409099620 1072325389 /nfs/dbraw/zinc/32/53/89/1072325389.db2.gz RKMXDCNUXPZLGV-RGVLZGJSSA-N 0 0 559.438 5.961 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409098914 1072328234 /nfs/dbraw/zinc/32/82/34/1072328234.db2.gz MRIFYGQSADLVND-ZCTHSVRISA-N 0 0 669.597 8.979 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409336559 1072331219 /nfs/dbraw/zinc/33/12/19/1072331219.db2.gz PMVWNLYKPOEKEF-XKZIYDEJSA-N 0 0 514.093 7.055 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409335895 1072334982 /nfs/dbraw/zinc/33/49/82/1072334982.db2.gz ZNIMSYHMINNMSR-AFUMVMLFSA-N 0 0 597.556 6.806 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409335955 1072335258 /nfs/dbraw/zinc/33/52/58/1072335258.db2.gz ZYFXTUOSXXNVDK-FSJBWODESA-N 0 0 537.575 6.327 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409335749 1072336330 /nfs/dbraw/zinc/33/63/30/1072336330.db2.gz ZFESAJHXOTYTEB-UUYOSTAYSA-N 0 0 642.367 7.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335757 1072336369 /nfs/dbraw/zinc/33/63/69/1072336369.db2.gz ZGEOSSWZEZATHC-OYKKKHCWSA-N 0 0 646.528 7.200 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409097735 1072336494 /nfs/dbraw/zinc/33/64/94/1072336494.db2.gz NXWFFNCZNOOCLE-YDZHTSKRSA-N 0 0 615.502 6.188 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409335607 1072337102 /nfs/dbraw/zinc/33/71/02/1072337102.db2.gz XSMVPNBKRCUKMF-MTJSOVHGSA-N 0 0 591.892 7.004 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409335696 1072337725 /nfs/dbraw/zinc/33/77/25/1072337725.db2.gz LSCDSNZZTHWXGT-AARCXHMLSA-N 0 0 582.747 7.600 40 10 KKCBRN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O ZINC000409106816 1072341165 /nfs/dbraw/zinc/34/11/65/1072341165.db2.gz PKCGAZCCWWMSHJ-PCLIKHOPSA-N 0 0 514.603 6.646 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409335026 1072341158 /nfs/dbraw/zinc/34/11/58/1072341158.db2.gz YPMXWRKMKKHJBC-XKZIYDEJSA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409335061 1072341612 /nfs/dbraw/zinc/34/16/12/1072341612.db2.gz YONQUIPKKMSRNQ-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409334259 1072346399 /nfs/dbraw/zinc/34/63/99/1072346399.db2.gz VLZCHIPYXLGLJM-MIXAMLLLSA-N 0 0 568.720 7.279 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409334316 1072346776 /nfs/dbraw/zinc/34/67/76/1072346776.db2.gz WUHGLVKKEMKEDQ-SRZZPIQSSA-N 0 0 555.615 6.432 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105776 1072346986 /nfs/dbraw/zinc/34/69/86/1072346986.db2.gz ONZBCYIPSFDYIX-UFKHLRDRSA-N 0 0 622.766 5.812 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1 ZINC000409334141 1072347656 /nfs/dbraw/zinc/34/76/56/1072347656.db2.gz UMIPBRAFRHWECZ-HZHRSRAPSA-N 0 0 526.477 6.833 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409334187 1072348228 /nfs/dbraw/zinc/34/82/28/1072348228.db2.gz UWDWHWRBIUDEEP-JMIUGGIZSA-N 0 0 613.755 7.989 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409334200 1072348458 /nfs/dbraw/zinc/34/84/58/1072348458.db2.gz WESYYWJXLQWEMX-MZJWZYIUSA-N 0 0 529.061 8.041 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2)c1 ZINC000409105704 1072348616 /nfs/dbraw/zinc/34/86/16/1072348616.db2.gz JDYPYWAJFBUDLM-OGLMXYFKSA-N 0 0 554.668 7.371 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)SC2=S)cc1 ZINC000409333727 1072351469 /nfs/dbraw/zinc/35/14/69/1072351469.db2.gz VJYUWQFIEIAAKI-PCLIKHOPSA-N 0 0 509.624 6.608 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)c1 ZINC000409103971 1072357841 /nfs/dbraw/zinc/35/78/41/1072357841.db2.gz ZYPQFKXAOBBCEI-MZJWZYIUSA-N 0 0 609.531 8.370 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc43)SC2=S)c1 ZINC000409104705 1072353857 /nfs/dbraw/zinc/35/38/57/1072353857.db2.gz FDMQSUHCDMWBLP-BUVRLJJBSA-N 0 0 500.576 6.343 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=S)c1 ZINC000409104458 1072354306 /nfs/dbraw/zinc/35/43/06/1072354306.db2.gz IWPXIDZRKQAYEV-JFLMPSFJSA-N 0 0 698.433 8.588 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409104070 1072357024 /nfs/dbraw/zinc/35/70/24/1072357024.db2.gz DFDYODOCNNHGLE-AFUMVMLFSA-N 0 0 522.598 5.800 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409103800 1072358957 /nfs/dbraw/zinc/35/89/57/1072358957.db2.gz ZAQJVOTYSLNVET-OKCVXOCRSA-N 0 0 628.703 7.190 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409332566 1072359858 /nfs/dbraw/zinc/35/98/58/1072359858.db2.gz QILVIMWVCBVHSD-YDZHTSKRSA-N 0 0 516.471 7.377 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1 ZINC000409102430 1072365560 /nfs/dbraw/zinc/36/55/60/1072365560.db2.gz STUNETGHIPLUON-ZVHZXABRSA-N 0 0 524.042 6.130 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332239 1072362082 /nfs/dbraw/zinc/36/20/82/1072362082.db2.gz PWOMGXOJRKBUBQ-SSDVNMTOSA-N 0 0 634.917 6.145 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1 ZINC000409332339 1072362895 /nfs/dbraw/zinc/36/28/95/1072362895.db2.gz QUJLLGUAOSQTLQ-LPYMAVHISA-N 0 0 538.025 7.019 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409332133 1072363760 /nfs/dbraw/zinc/36/37/60/1072363760.db2.gz PNQGYVUUURPZPI-IUXPMGMMSA-N 0 0 596.193 7.709 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409332156 1072364273 /nfs/dbraw/zinc/36/42/73/1072364273.db2.gz PQFQSIMCAAPEGG-IFRROFPPSA-N 0 0 743.551 9.919 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409331778 1072366100 /nfs/dbraw/zinc/36/61/00/1072366100.db2.gz PBFUPECMQONBPK-XKZIYDEJSA-N 0 0 529.014 5.613 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409331806 1072366459 /nfs/dbraw/zinc/36/64/59/1072366459.db2.gz OAJRMFRGBLSQMT-KGENOOAVSA-N 0 0 542.616 5.085 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409331839 1072366471 /nfs/dbraw/zinc/36/64/71/1072366471.db2.gz ONXSWQXBWMRUKS-WPWMEQJKSA-N 0 0 605.579 7.662 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)cc1 ZINC000409331847 1072366525 /nfs/dbraw/zinc/36/65/25/1072366525.db2.gz ORQSULFFMDAJHE-LPYMAVHISA-N 0 0 545.469 6.127 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409331673 1072367329 /nfs/dbraw/zinc/36/73/29/1072367329.db2.gz OHMWXYSHMHTLBZ-NHDPSOOVSA-N 0 0 566.966 7.474 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107360 1072367767 /nfs/dbraw/zinc/36/77/67/1072367767.db2.gz RCZXBVJPRGESMR-MQCBVOCZSA-N 0 0 657.211 6.465 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107357 1072367966 /nfs/dbraw/zinc/36/79/66/1072367966.db2.gz RCZXBVJPRGESMR-FSPONLMBSA-N 0 0 657.211 6.465 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409331622 1072369179 /nfs/dbraw/zinc/36/91/79/1072369179.db2.gz NYZKXHFVJGTJET-WPWMEQJKSA-N 0 0 576.537 7.986 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409331259 1072370762 /nfs/dbraw/zinc/37/07/62/1072370762.db2.gz NEYPFRVJRPCXGN-QRVIBDJDSA-N 0 0 590.561 7.694 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409331217 1072370838 /nfs/dbraw/zinc/37/08/38/1072370838.db2.gz MTAOPAUZHOCETR-MTJSOVHGSA-N 0 0 596.933 6.285 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409329973 1072381426 /nfs/dbraw/zinc/38/14/26/1072381426.db2.gz IMTAXRDCIHLMKJ-PCLIKHOPSA-N 0 0 518.660 5.813 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409330745 1072375935 /nfs/dbraw/zinc/37/59/35/1072375935.db2.gz MEXVOUQLWBYAJO-MTJSOVHGSA-N 0 0 609.792 8.158 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409329971 1072381558 /nfs/dbraw/zinc/38/15/58/1072381558.db2.gz IMPUXHUDNIGGDF-YDZHTSKRSA-N 0 0 637.948 7.337 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409330234 1072378683 /nfs/dbraw/zinc/37/86/83/1072378683.db2.gz KGMFNFCKMCPFCM-PKAZHMFMSA-N 0 0 542.638 7.132 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S ZINC000409330247 1072379087 /nfs/dbraw/zinc/37/90/87/1072379087.db2.gz KEZTUYSQJRHLLE-XKZIYDEJSA-N 0 0 514.441 6.881 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409330167 1072380558 /nfs/dbraw/zinc/38/05/58/1072380558.db2.gz JTSLEBJSFQLCDL-WOJGMQOQSA-N 0 0 522.442 5.114 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409329940 1072381012 /nfs/dbraw/zinc/38/10/12/1072381012.db2.gz IFXFWKGIDKDDKE-MYKKPKGFSA-N 0 0 529.649 7.588 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409329506 1072384292 /nfs/dbraw/zinc/38/42/92/1072384292.db2.gz DSPLYABIBCBVNW-SRZZPIQSSA-N 0 0 588.417 6.472 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000409329529 1072384942 /nfs/dbraw/zinc/38/49/42/1072384942.db2.gz FGGHQEGYEMXNSC-YVLHZVERSA-N 0 0 589.860 5.301 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1C ZINC000409329396 1072385737 /nfs/dbraw/zinc/38/57/37/1072385737.db2.gz FHOZSAFVLZERMW-FMCGGJTJSA-N 0 0 598.500 6.397 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329402 1072385811 /nfs/dbraw/zinc/38/58/11/1072385811.db2.gz FJEWBZYHZCYKFZ-MTJSOVHGSA-N 0 0 506.863 7.632 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2OC)cc1 ZINC000409329225 1072386605 /nfs/dbraw/zinc/38/66/05/1072386605.db2.gz CLALMEGCNQSETR-ZVHZXABRSA-N 0 0 539.078 6.334 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c1 ZINC000409329200 1072386687 /nfs/dbraw/zinc/38/66/87/1072386687.db2.gz BYFQUXIWBXXMFF-MTJSOVHGSA-N 0 0 516.522 7.120 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409329287 1072387177 /nfs/dbraw/zinc/38/71/77/1072387177.db2.gz DGVIEGIEDHYXIM-AFUMVMLFSA-N 0 0 559.540 7.443 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409328733 1072389841 /nfs/dbraw/zinc/38/98/41/1072389841.db2.gz ALNURWKBKFQUET-XYGWBWBKSA-N 0 0 509.624 6.608 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409328840 1072390385 /nfs/dbraw/zinc/39/03/85/1072390385.db2.gz BHMQVWKYBVTZMS-NVMNQCDNSA-N 0 0 528.435 5.358 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328808 1072390402 /nfs/dbraw/zinc/39/04/02/1072390402.db2.gz BBNKGOJNWVSTKR-HMAPJEAMSA-N 0 0 566.970 7.614 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409328845 1072390431 /nfs/dbraw/zinc/39/04/31/1072390431.db2.gz BJBUFNRLNPMLNU-VXLYETTFSA-N 0 0 534.059 6.588 40 10 KKCBRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328594 1072390872 /nfs/dbraw/zinc/39/08/72/1072390872.db2.gz YGZGMTXNBOQKBJ-ZDLGFXPLSA-N 0 0 540.848 5.253 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409328853 1072390918 /nfs/dbraw/zinc/39/09/18/1072390918.db2.gz BMLWLHCCYRTGHX-WKIKZPBSSA-N 0 0 576.187 7.100 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409328633 1072391298 /nfs/dbraw/zinc/39/12/98/1072391298.db2.gz ZEBTUKYZKDQJBN-MSXFZWOLSA-N 0 0 670.421 8.598 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409328488 1072392278 /nfs/dbraw/zinc/39/22/78/1072392278.db2.gz WGGUUGSMRVPKDC-MSXFZWOLSA-N 0 0 617.974 7.151 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409328511 1072392832 /nfs/dbraw/zinc/39/28/32/1072392832.db2.gz WUHBYBRPHJMQEY-YSMPRRRNSA-N 0 0 600.684 7.651 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409328385 1072394048 /nfs/dbraw/zinc/39/40/48/1072394048.db2.gz UCGPEWVEIAQSSR-OEAKJJBVSA-N 0 0 633.973 6.635 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409327776 1072398682 /nfs/dbraw/zinc/39/86/82/1072398682.db2.gz MSVBIYQYFSQKDO-PCLIKHOPSA-N 0 0 535.647 6.044 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409327793 1072398793 /nfs/dbraw/zinc/39/87/93/1072398793.db2.gz NCONLIKVBKPCAQ-ZBKNUEDVSA-N 0 0 572.764 8.223 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409327560 1072399218 /nfs/dbraw/zinc/39/92/18/1072399218.db2.gz KUXVOYBQTBVWAN-VULFUBBASA-N 0 0 557.568 8.133 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409327605 1072399591 /nfs/dbraw/zinc/39/95/91/1072399591.db2.gz LKASRVVYMLAROQ-NVMNQCDNSA-N 0 0 572.886 5.467 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409327493 1072401343 /nfs/dbraw/zinc/40/13/43/1072401343.db2.gz KDILMJXNWKGFSF-FYJGNVAPSA-N 0 0 669.347 7.189 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409107812 1072411147 /nfs/dbraw/zinc/41/11/47/1072411147.db2.gz QWZBPIUJHOMXRL-KEBDBYFISA-N 0 0 517.754 5.449 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409346899 1072412407 /nfs/dbraw/zinc/41/24/07/1072412407.db2.gz OQEPNCACRXYLAH-JAIQZWGSSA-N 0 0 536.000 6.313 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409346669 1072412931 /nfs/dbraw/zinc/41/29/31/1072412931.db2.gz NYMTWKVFZUCKJV-YDZHTSKRSA-N 0 0 558.494 7.198 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409346410 1072415448 /nfs/dbraw/zinc/41/54/48/1072415448.db2.gz KKMGVQMANUCLCR-VCHYOVAHSA-N 0 0 565.435 5.660 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409346397 1072415491 /nfs/dbraw/zinc/41/54/91/1072415491.db2.gz KGNYGGXHTBMSGM-OEAKJJBVSA-N 0 0 570.048 5.772 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409346050 1072419774 /nfs/dbraw/zinc/41/97/74/1072419774.db2.gz MLQOHUYRTJWECL-CFRMEGHHSA-N 0 0 536.053 6.337 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409345861 1072420715 /nfs/dbraw/zinc/42/07/15/1072420715.db2.gz LWYRWHCHPRNWCU-NKVSQWTQSA-N 0 0 541.308 8.285 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCC ZINC000409345885 1072420717 /nfs/dbraw/zinc/42/07/17/1072420717.db2.gz MOYFFVFONPFVKD-PDGQHHTCSA-N 0 0 525.433 5.490 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409345889 1072420792 /nfs/dbraw/zinc/42/07/92/1072420792.db2.gz MQBQPTKHGNKJJU-RQZCQDPDSA-N 0 0 580.296 6.801 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1Cl ZINC000409345933 1072421166 /nfs/dbraw/zinc/42/11/66/1072421166.db2.gz LVIKXLCXAAOLHS-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1C ZINC000409345726 1072422269 /nfs/dbraw/zinc/42/22/69/1072422269.db2.gz JFLDFYLUPJBTBQ-ZRGSRPPYSA-N 0 0 541.654 6.031 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409345389 1072424296 /nfs/dbraw/zinc/42/42/96/1072424296.db2.gz LQEDIGZPDXLNER-JAIQZWGSSA-N 0 0 516.019 6.483 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409345441 1072424750 /nfs/dbraw/zinc/42/47/50/1072424750.db2.gz IKNZYDBKNUKKDW-CFRMEGHHSA-N 0 0 631.451 8.727 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409345467 1072424772 /nfs/dbraw/zinc/42/47/72/1072424772.db2.gz IQJSZRRYCMDHJB-HYARGMPZSA-N 0 0 650.947 6.469 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409345232 1072425212 /nfs/dbraw/zinc/42/52/12/1072425212.db2.gz KRBQZOULRHVDLS-JJFYIABZSA-N 0 0 640.364 8.048 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409345489 1072425229 /nfs/dbraw/zinc/42/52/29/1072425229.db2.gz IUEUFLNLKDPBQQ-HYARGMPZSA-N 0 0 505.577 5.327 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000409345233 1072425285 /nfs/dbraw/zinc/42/52/85/1072425285.db2.gz KUWJOGBNBCWVKB-WQRHYEAKSA-N 0 0 512.436 5.740 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1F ZINC000409345257 1072425856 /nfs/dbraw/zinc/42/58/56/1072425856.db2.gz KLJKREOUCUMGGY-WYMPLXKRSA-N 0 0 509.580 5.938 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409345316 1072426343 /nfs/dbraw/zinc/42/63/43/1072426343.db2.gz LBPKSMVQPHQOAF-OEAKJJBVSA-N 0 0 636.964 7.004 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1cccc(Cl)c1 ZINC000409345106 1072426913 /nfs/dbraw/zinc/42/69/13/1072426913.db2.gz KHKGYOYECJEVNG-MYYYXRDXSA-N 0 0 522.478 8.131 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409121158 1072427055 /nfs/dbraw/zinc/42/70/55/1072427055.db2.gz WOOFGJUBQAUKHB-CIAFOILYSA-N 0 0 543.439 6.255 40 10 KKCBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)C(C)C)c1 ZINC000409344943 1072427945 /nfs/dbraw/zinc/42/79/45/1072427945.db2.gz KERJOWDIZREPMK-OHAPQNGISA-N 0 0 541.681 6.397 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409344788 1072428401 /nfs/dbraw/zinc/42/84/01/1072428401.db2.gz HEUSXYXYGQTPDC-LFVJCYFKSA-N 0 0 578.649 5.930 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409344625 1072429599 /nfs/dbraw/zinc/42/95/99/1072429599.db2.gz HPUDAISVUQPTDK-QRVIBDJDSA-N 0 0 574.949 7.713 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409344497 1072431072 /nfs/dbraw/zinc/43/10/72/1072431072.db2.gz JTHXQQKGBVPOJW-WSDLNYQXSA-N 0 0 578.912 7.625 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409344330 1072432355 /nfs/dbraw/zinc/43/23/55/1072432355.db2.gz IPWNQCDBWBZPSH-LPYMAVHISA-N 0 0 552.590 5.776 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409344361 1072432411 /nfs/dbraw/zinc/43/24/11/1072432411.db2.gz JCTFVCDDLXJXOD-UCQKPKSFSA-N 0 0 546.497 7.386 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409344310 1072434475 /nfs/dbraw/zinc/43/44/75/1072434475.db2.gz IVSBIZFIFJUCBK-BKUYFWCQSA-N 0 0 527.421 6.342 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409344294 1072434505 /nfs/dbraw/zinc/43/45/05/1072434505.db2.gz IUADWWGVALHBEO-PKAZHMFMSA-N 0 0 515.631 7.362 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000409344171 1072435567 /nfs/dbraw/zinc/43/55/67/1072435567.db2.gz FZIGPDZMXQNPGE-QFEZKATASA-N 0 0 543.541 7.824 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409343658 1072439091 /nfs/dbraw/zinc/43/90/91/1072439091.db2.gz IAORLCGXMJUJRM-ZMOGYAJESA-N 0 0 527.473 7.850 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1 ZINC000409343501 1072440150 /nfs/dbraw/zinc/44/01/50/1072440150.db2.gz HCSPICNVLSVDNT-LFVJCYFKSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409343524 1072440155 /nfs/dbraw/zinc/44/01/55/1072440155.db2.gz HMUWEGGULADPJJ-CIAFOILYSA-N 0 0 672.791 7.701 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409343505 1072440163 /nfs/dbraw/zinc/44/01/63/1072440163.db2.gz HJEQICQDAKNKNN-RDRPBHBLSA-N 0 0 568.720 7.395 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409343562 1072440820 /nfs/dbraw/zinc/44/08/20/1072440820.db2.gz DWMXDUSHPRWXME-XKZIYDEJSA-N 0 0 544.467 6.890 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCC ZINC000409343333 1072441191 /nfs/dbraw/zinc/44/11/91/1072441191.db2.gz GTFATITXGIRVBS-GZTJUZNOSA-N 0 0 588.876 5.288 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409343430 1072441809 /nfs/dbraw/zinc/44/18/09/1072441809.db2.gz HBZWJTDRHDBFHP-FOKLQQMPSA-N 0 0 588.019 6.762 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409343214 1072442378 /nfs/dbraw/zinc/44/23/78/1072442378.db2.gz DARUMJGKQOTHRX-QFEZKATASA-N 0 0 563.657 6.034 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409343083 1072443641 /nfs/dbraw/zinc/44/36/41/1072443641.db2.gz CLQWICZIRWNWFL-JMIUGGIZSA-N 0 0 505.404 7.184 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409343078 1072443771 /nfs/dbraw/zinc/44/37/71/1072443771.db2.gz FXQMSNJNLIJVEG-UUYOSTAYSA-N 0 0 605.919 7.394 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409343101 1072444363 /nfs/dbraw/zinc/44/43/63/1072444363.db2.gz FYCKQJQORCWAGF-PDGQHHTCSA-N 0 0 525.433 5.803 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409342890 1072444906 /nfs/dbraw/zinc/44/49/06/1072444906.db2.gz FTAXGMBLYRHYID-UKWGHVSLSA-N 0 0 664.655 9.157 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409342773 1072446080 /nfs/dbraw/zinc/44/60/80/1072446080.db2.gz CLPWAWMQLOPAPQ-ZMOGYAJESA-N 0 0 685.436 8.048 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409342811 1072446455 /nfs/dbraw/zinc/44/64/55/1072446455.db2.gz FBKCKFZLHQVRPA-SXGWCWSVSA-N 0 0 545.853 5.135 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409342664 1072447540 /nfs/dbraw/zinc/44/75/40/1072447540.db2.gz CDASODTWRQOECG-CFRMEGHHSA-N 0 0 617.974 7.233 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409342639 1072447588 /nfs/dbraw/zinc/44/75/88/1072447588.db2.gz DYZBLTKMEPWZLI-ZVHZXABRSA-N 0 0 589.522 6.526 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409127189 1072447674 /nfs/dbraw/zinc/44/76/74/1072447674.db2.gz QHUUVXDZINEQLY-OYKKKHCWSA-N 0 0 507.637 6.846 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409126839 1072449165 /nfs/dbraw/zinc/44/91/65/1072449165.db2.gz BTEJYMOVENAFKP-BKUYFWCQSA-N 0 0 602.304 6.200 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409126737 1072451003 /nfs/dbraw/zinc/45/10/03/1072451003.db2.gz FTKGADFATIQIHG-KQWNVCNZSA-N 0 0 542.442 6.368 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409342077 1072451980 /nfs/dbraw/zinc/45/19/80/1072451980.db2.gz DDZRTPDRDGBZMX-UFFVCSGVSA-N 0 0 704.687 8.621 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409341860 1072452533 /nfs/dbraw/zinc/45/25/33/1072452533.db2.gz AIFUVRYHUZBMCH-RGVLZGJSSA-N 0 0 503.874 6.916 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1Cl ZINC000409341960 1072454378 /nfs/dbraw/zinc/45/43/78/1072454378.db2.gz CMYWYHWEZVJXNM-WYMPLXKRSA-N 0 0 525.482 7.411 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCC(=O)OC ZINC000409341939 1072454529 /nfs/dbraw/zinc/45/45/29/1072454529.db2.gz AOQGGJFZYJIGPG-BKUYFWCQSA-N 0 0 605.475 5.801 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409341976 1072454538 /nfs/dbraw/zinc/45/45/38/1072454538.db2.gz COICNECUZOTLCY-WGARJPEWSA-N 0 0 601.577 7.939 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000409126054 1072456598 /nfs/dbraw/zinc/45/65/98/1072456598.db2.gz LCYGAMYDVUXIBP-MYYYXRDXSA-N 0 0 507.055 6.926 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409341412 1072457176 /nfs/dbraw/zinc/45/71/76/1072457176.db2.gz BNHVPWZVZZCMQT-BKUYFWCQSA-N 0 0 604.447 6.193 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409341320 1072459050 /nfs/dbraw/zinc/45/90/50/1072459050.db2.gz BBTWPCSCKFOPLT-FMQZQXMHSA-N 0 0 563.278 5.722 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409341407 1072459854 /nfs/dbraw/zinc/45/98/54/1072459854.db2.gz BLRXNDAMPMPYON-FRKPEAEDSA-N 0 0 577.703 5.823 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409341204 1072460377 /nfs/dbraw/zinc/46/03/77/1072460377.db2.gz ABJKZJUODXGYBL-BKUYFWCQSA-N 0 0 522.917 7.215 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409125440 1072460787 /nfs/dbraw/zinc/46/07/87/1072460787.db2.gz MLFXJGMRBHLWHY-QQXSKIMKSA-N 0 0 569.590 7.573 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409341232 1072461013 /nfs/dbraw/zinc/46/10/13/1072461013.db2.gz AKBVFKKTDRAAIO-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1 ZINC000409124966 1072463371 /nfs/dbraw/zinc/46/33/71/1072463371.db2.gz CRLYMSNLTWYXNZ-IPLHSMHLSA-N 0 0 522.692 5.888 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409124823 1072464287 /nfs/dbraw/zinc/46/42/87/1072464287.db2.gz LXWDSYCXUTXLNB-FSGOGVSDSA-N 0 0 642.759 6.700 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409340566 1072465386 /nfs/dbraw/zinc/46/53/86/1072465386.db2.gz ZKQXDWPRHBXOLL-CFRMEGHHSA-N 0 0 551.602 6.717 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409340413 1072466381 /nfs/dbraw/zinc/46/63/81/1072466381.db2.gz WQULPPIKOVNMPP-LSFURLLWSA-N 0 0 553.530 5.438 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409340496 1072466897 /nfs/dbraw/zinc/46/68/97/1072466897.db2.gz YCJSWPQSLGHWKU-WSDLNYQXSA-N 0 0 605.572 5.969 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCC ZINC000409340293 1072467306 /nfs/dbraw/zinc/46/73/06/1072467306.db2.gz UFRRWIXBQBJEDD-STZFKDTASA-N 0 0 514.466 6.806 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409340290 1072467355 /nfs/dbraw/zinc/46/73/55/1072467355.db2.gz UCRXLZKEUDABLK-KOEQRZSOSA-N 0 0 533.652 6.022 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccc(Br)cc23)SC1=S ZINC000409124408 1072467384 /nfs/dbraw/zinc/46/73/84/1072467384.db2.gz HJGVHTNZZYDPRS-FBHDLOMBSA-N 0 0 534.545 5.520 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409340338 1072467923 /nfs/dbraw/zinc/46/79/23/1072467923.db2.gz VLZJJVBLKIYLEJ-MFKUBSTISA-N 0 0 550.474 7.726 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409340180 1072468882 /nfs/dbraw/zinc/46/88/82/1072468882.db2.gz RTJITMKKFNAITG-AUEPDCJTSA-N 0 0 523.998 6.796 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409340152 1072468929 /nfs/dbraw/zinc/46/89/29/1072468929.db2.gz RHJHKJAFCCKWOO-LZYBPNLTSA-N 0 0 513.276 6.243 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409339970 1072469670 /nfs/dbraw/zinc/46/96/70/1072469670.db2.gz NRWWXAIFLMKURY-HYARGMPZSA-N 0 0 605.373 7.595 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409340215 1072469713 /nfs/dbraw/zinc/46/97/13/1072469713.db2.gz SIGJQBNVXQEBTP-AFPJDJCSSA-N 0 0 711.257 9.288 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409340002 1072470158 /nfs/dbraw/zinc/47/01/58/1072470158.db2.gz OJZGUCNBMMYYME-RQZCQDPDSA-N 0 0 510.456 5.129 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409340054 1072470698 /nfs/dbraw/zinc/47/06/98/1072470698.db2.gz PREHSPIBBDOOQF-XKZIYDEJSA-N 0 0 591.346 7.205 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409340047 1072470701 /nfs/dbraw/zinc/47/07/01/1072470701.db2.gz PJFINLLQAVJIGQ-LZYBPNLTSA-N 0 0 563.720 6.678 40 10 KKCBRN CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409339939 1072472403 /nfs/dbraw/zinc/47/24/03/1072472403.db2.gz NACYRMWQTDCJQX-CAOOACKPSA-N 0 0 518.376 6.281 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000409339677 1072472837 /nfs/dbraw/zinc/47/28/37/1072472837.db2.gz KLJUSELRDKDMBM-MTJSOVHGSA-N 0 0 509.565 5.026 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339684 1072472852 /nfs/dbraw/zinc/47/28/52/1072472852.db2.gz KNVBRJIOYYDHLM-DHRITJCHSA-N 0 0 621.011 7.618 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409339678 1072473066 /nfs/dbraw/zinc/47/30/66/1072473066.db2.gz KLVOGCGEYXHMEP-FYJGNVAPSA-N 0 0 514.024 5.850 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S ZINC000409339752 1072473619 /nfs/dbraw/zinc/47/36/19/1072473619.db2.gz XTCSJYHXMQPNQB-OYKKKHCWSA-N 0 0 501.589 6.012 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)cc1 ZINC000409339627 1072474645 /nfs/dbraw/zinc/47/46/45/1072474645.db2.gz XHQGQYQMMATDIS-MYYYXRDXSA-N 0 0 531.634 6.224 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409339390 1072475253 /nfs/dbraw/zinc/47/52/53/1072475253.db2.gz UUWIIIBVWDXTBS-CVKSISIWSA-N 0 0 608.604 8.318 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339388 1072475346 /nfs/dbraw/zinc/47/53/46/1072475346.db2.gz IAMVBLMFVCVHIF-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c1 ZINC000409339434 1072475781 /nfs/dbraw/zinc/47/57/81/1072475781.db2.gz VPRQADMWZCNODV-WSDLNYQXSA-N 0 0 518.512 7.700 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339430 1072475806 /nfs/dbraw/zinc/47/58/06/1072475806.db2.gz VNUIUMPMMKWJQN-OEAKJJBVSA-N 0 0 558.494 7.280 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339461 1072476316 /nfs/dbraw/zinc/47/63/16/1072476316.db2.gz IJSRJNVHFLLQGC-MYYYXRDXSA-N 0 0 522.478 8.131 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409339463 1072476346 /nfs/dbraw/zinc/47/63/46/1072476346.db2.gz IKCNXBDLOPBRGD-RGVLZGJSSA-N 0 0 656.780 7.129 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409339224 1072477133 /nfs/dbraw/zinc/47/71/33/1072477133.db2.gz SWZSEHKTLWWEPO-NHDPSOOVSA-N 0 0 517.415 6.886 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339274 1072477151 /nfs/dbraw/zinc/47/71/51/1072477151.db2.gz GPTIXLDJRIZLLL-WKULSOCRSA-N 0 0 626.606 8.217 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)SC2=S)cc1 ZINC000409339105 1072478194 /nfs/dbraw/zinc/47/81/94/1072478194.db2.gz RWYHPFPUQIEIAX-FMCGGJTJSA-N 0 0 587.473 6.359 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409136393 1072479157 /nfs/dbraw/zinc/47/91/57/1072479157.db2.gz SUIZOHBVRAEKTC-NKVSQWTQSA-N 0 0 572.531 5.776 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409339212 1072479191 /nfs/dbraw/zinc/47/91/91/1072479191.db2.gz FSEDYWHEDMIQHQ-OGLMXYFKSA-N 0 0 604.591 8.603 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409339052 1072480262 /nfs/dbraw/zinc/48/02/62/1072480262.db2.gz DPGLDVRCPGJTST-SSDVNMTOSA-N 0 0 556.021 5.680 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338787 1072480882 /nfs/dbraw/zinc/48/08/82/1072480882.db2.gz AZDXJPHWLHWFOZ-NHDPSOOVSA-N 0 0 577.518 6.729 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)S1)c1ccccc1 ZINC000409136098 1072481337 /nfs/dbraw/zinc/48/13/37/1072481337.db2.gz RWSYLVLWRQEGAR-NHDPSOOVSA-N 0 0 562.272 6.735 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409338902 1072481815 /nfs/dbraw/zinc/48/18/15/1072481815.db2.gz QNNKJEMCBWTRRB-SRZZPIQSSA-N 0 0 611.417 7.583 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409338887 1072481952 /nfs/dbraw/zinc/48/19/52/1072481952.db2.gz QEPIQPJJEVTNMG-ZMOGYAJESA-N 0 0 660.999 6.292 40 10 KKCBRN O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338709 1072482479 /nfs/dbraw/zinc/48/24/79/1072482479.db2.gz OTZHFORNKIMCEY-WDZFZDKYSA-N 0 0 526.602 5.706 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000409338514 1072483652 /nfs/dbraw/zinc/48/36/52/1072483652.db2.gz LESYCVYFNXNTSH-UDWIEESQSA-N 0 0 502.495 6.812 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409338620 1072484813 /nfs/dbraw/zinc/48/48/13/1072484813.db2.gz NCOBOMVPSCBJBL-FMCGGJTJSA-N 0 0 603.947 6.843 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409338373 1072484819 /nfs/dbraw/zinc/48/48/19/1072484819.db2.gz ITOVRXWQVQHPPJ-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)SC2=S)cc1 ZINC000409135291 1072485483 /nfs/dbraw/zinc/48/54/83/1072485483.db2.gz YCEYDAYNZBCLQK-MYYYXRDXSA-N 0 0 519.692 5.310 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c(Br)c4)c3C)N(C)C2=S)cc1 ZINC000409135114 1072486073 /nfs/dbraw/zinc/48/60/73/1072486073.db2.gz UNBVWXFVOIIUCM-PKAZHMFMSA-N 0 0 595.563 5.696 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409135140 1072486241 /nfs/dbraw/zinc/48/62/41/1072486241.db2.gz UTXKJPYSNQWTHH-IMRQLAEWSA-N 0 0 580.548 6.362 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409338221 1072486661 /nfs/dbraw/zinc/48/66/61/1072486661.db2.gz FZXAXYKRKRKTKI-FMCGGJTJSA-N 0 0 593.048 7.181 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000409338263 1072487709 /nfs/dbraw/zinc/48/77/09/1072487709.db2.gz GVJFFCLWUUJURM-CAOOACKPSA-N 0 0 528.833 5.069 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409134982 1072488201 /nfs/dbraw/zinc/48/82/01/1072488201.db2.gz PEIWGEWANVGLCT-FMCGGJTJSA-N 0 0 527.498 7.553 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 ZINC000409338338 1072488259 /nfs/dbraw/zinc/48/82/59/1072488259.db2.gz ICDNNKNXVTYDIJ-UCQKPKSFSA-N 0 0 522.673 5.840 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409338147 1072488883 /nfs/dbraw/zinc/48/88/83/1072488883.db2.gz DWFLZZLFQCHGRD-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338040 1072490437 /nfs/dbraw/zinc/49/04/37/1072490437.db2.gz BXISWOXLSKSVJY-CIAFOILYSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccccc1 ZINC000409133998 1072495112 /nfs/dbraw/zinc/49/51/12/1072495112.db2.gz OGMQSKOPUZLJBW-UCQKPKSFSA-N 0 0 537.435 5.827 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC1=S ZINC000409133920 1072496163 /nfs/dbraw/zinc/49/61/63/1072496163.db2.gz UYLWUEXEWHOBNI-NKVSQWTQSA-N 0 0 503.462 6.448 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409132704 1072502831 /nfs/dbraw/zinc/50/28/31/1072502831.db2.gz QXVGIMIMDAJVCA-MXAYSNPKSA-N 0 0 598.588 6.072 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409132241 1072505144 /nfs/dbraw/zinc/50/51/44/1072505144.db2.gz PBLSVUGCDAGGLJ-ONUIUJJFSA-N 0 0 566.521 5.972 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 ZINC000409132312 1072505558 /nfs/dbraw/zinc/50/55/58/1072505558.db2.gz ZISSHVLWZMGHHN-FMCGGJTJSA-N 0 0 529.525 6.648 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NCc1cccs1 ZINC000409131642 1072508230 /nfs/dbraw/zinc/50/82/30/1072508230.db2.gz KAENUPLKSAYBCM-JJFYIABZSA-N 0 0 568.543 6.188 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409355261 1072511251 /nfs/dbraw/zinc/51/12/51/1072511251.db2.gz BZIKETPVMNTSQR-NVJOKUIPSA-N 0 0 628.776 5.766 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409131127 1072511908 /nfs/dbraw/zinc/51/19/08/1072511908.db2.gz NGUULPUXUDNLIK-OYKKKHCWSA-N 0 0 523.014 6.497 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1Cc1ccco1 ZINC000409130925 1072512000 /nfs/dbraw/zinc/51/20/00/1072512000.db2.gz IVGTXEMNIVBKPT-MSXFZWOLSA-N 0 0 504.589 5.443 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 ZINC000409129751 1072518210 /nfs/dbraw/zinc/51/82/10/1072518210.db2.gz SJMOCYHGUKVKRY-HMAPJEAMSA-N 0 0 507.409 5.737 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409353904 1072518497 /nfs/dbraw/zinc/51/84/97/1072518497.db2.gz UKIHRHLBNKFFJX-ROTLSHHCSA-N 0 0 580.062 6.515 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1Cl ZINC000409353553 1072520298 /nfs/dbraw/zinc/52/02/98/1072520298.db2.gz NCWHRHUEGMOOEQ-ZMFRSBBQSA-N 0 0 592.098 6.385 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NCc3cccs3)c21 ZINC000409128872 1072522782 /nfs/dbraw/zinc/52/27/82/1072522782.db2.gz SQZANMSQQPGYGA-XYGWBWBKSA-N 0 0 545.755 6.026 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccccc3F)c21 ZINC000409128577 1072524208 /nfs/dbraw/zinc/52/42/08/1072524208.db2.gz PSZBLLGUQFPHIR-ONUIUJJFSA-N 0 0 500.664 6.835 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409352867 1072525194 /nfs/dbraw/zinc/52/51/94/1072525194.db2.gz ZAPZNGNQDRJGTB-PXNMLYILSA-N 0 0 566.269 6.411 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409352848 1072525213 /nfs/dbraw/zinc/52/52/13/1072525213.db2.gz YXNUEIDRSKOALP-XKZIYDEJSA-N 0 0 650.947 6.387 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1cccs1 ZINC000409128428 1072525287 /nfs/dbraw/zinc/52/52/87/1072525287.db2.gz DZAYPNSFXLIWKP-IWIPYMOSSA-N 0 0 517.701 5.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCC ZINC000409352754 1072526428 /nfs/dbraw/zinc/52/64/28/1072526428.db2.gz YMQRBMXFOBNHLK-PDGQHHTCSA-N 0 0 525.433 5.803 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409352747 1072526461 /nfs/dbraw/zinc/52/64/61/1072526461.db2.gz YMEMAAQAZCMFGP-MYYYXRDXSA-N 0 0 522.478 8.131 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409352765 1072526511 /nfs/dbraw/zinc/52/65/11/1072526511.db2.gz ZDZJPCVPQOGELD-DHRITJCHSA-N 0 0 539.509 7.801 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC ZINC000409352624 1072527843 /nfs/dbraw/zinc/52/78/43/1072527843.db2.gz XWIOCWZYQXNGAS-MFKUBSTISA-N 0 0 566.726 6.239 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccncc1 ZINC000409352214 1072528622 /nfs/dbraw/zinc/52/86/22/1072528622.db2.gz XAAKWWPYDGFXDH-NHDPSOOVSA-N 0 0 503.432 6.382 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409127926 1072528736 /nfs/dbraw/zinc/52/87/36/1072528736.db2.gz KIPWUMCTAOLGPV-SNINMWPCSA-N 0 0 513.482 5.832 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1 ZINC000409352239 1072528728 /nfs/dbraw/zinc/52/87/28/1072528728.db2.gz XFGFHKBCLRRNCL-UCQKPKSFSA-N 0 0 556.643 5.475 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409127957 1072529224 /nfs/dbraw/zinc/52/92/24/1072529224.db2.gz REJWSIDWJHIEBL-XYGWBWBKSA-N 0 0 573.468 6.590 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409352177 1072530441 /nfs/dbraw/zinc/53/04/41/1072530441.db2.gz WNXFZMHZBDOEPF-NHDPSOOVSA-N 0 0 584.866 8.106 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1 ZINC000409352046 1072531323 /nfs/dbraw/zinc/53/13/23/1072531323.db2.gz VVIGXBJQEZKJDC-YBFXNURJSA-N 0 0 515.956 5.063 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144790 1072532080 /nfs/dbraw/zinc/53/20/80/1072532080.db2.gz PXQXKSOHEVKIKM-YSURURNPSA-N 0 0 573.567 7.021 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409351419 1072535810 /nfs/dbraw/zinc/53/58/10/1072535810.db2.gz UQAOTTXHPZSTQE-JFLMPSFJSA-N 0 0 597.158 7.294 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409351483 1072536179 /nfs/dbraw/zinc/53/61/79/1072536179.db2.gz UOTBTWKHSDYKSS-CIAFOILYSA-N 0 0 685.346 6.889 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409351239 1072536638 /nfs/dbraw/zinc/53/66/38/1072536638.db2.gz ZVZZOKFMAGCTEY-UCQKPKSFSA-N 0 0 590.948 7.495 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409351237 1072536729 /nfs/dbraw/zinc/53/67/29/1072536729.db2.gz ZULSMLGPZWUQRM-KSEXSDGBSA-N 0 0 593.941 7.469 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409351221 1072536780 /nfs/dbraw/zinc/53/67/80/1072536780.db2.gz ZMSDNFWRQDEFAB-YUMHPJSZSA-N 0 0 546.714 6.859 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000409351277 1072537121 /nfs/dbraw/zinc/53/71/21/1072537121.db2.gz SYPMMGOVKCRPMQ-HYARGMPZSA-N 0 0 512.450 6.443 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409351337 1072537670 /nfs/dbraw/zinc/53/76/70/1072537670.db2.gz TYHNKYIMBPWXNS-CXUHLZMHSA-N 0 0 543.258 5.169 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)c1 ZINC000409351107 1072538604 /nfs/dbraw/zinc/53/86/04/1072538604.db2.gz ZNDLOKKDSXDGCP-FBHDLOMBSA-N 0 0 505.517 7.529 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409143788 1072539091 /nfs/dbraw/zinc/53/90/91/1072539091.db2.gz JCXIQZCYVQPFMM-PGGKNCGUSA-N 0 0 682.489 7.792 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409350846 1072540955 /nfs/dbraw/zinc/54/09/55/1072540955.db2.gz YUUXBJGRTKHUSQ-MTJSOVHGSA-N 0 0 638.892 6.846 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409350691 1072541700 /nfs/dbraw/zinc/54/17/00/1072541700.db2.gz YSSDADNGQYVYEF-NHDPSOOVSA-N 0 0 636.343 7.113 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409143335 1072541732 /nfs/dbraw/zinc/54/17/32/1072541732.db2.gz ZZDRCASFERLNTC-YSMPRRRNSA-N 0 0 577.638 5.807 40 10 KKCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4cccc(F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409143200 1072542222 /nfs/dbraw/zinc/54/22/22/1072542222.db2.gz VWVIOTNINDLQJQ-QHCPKHFHSA-N 0 0 502.032 6.038 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409143010 1072543251 /nfs/dbraw/zinc/54/32/51/1072543251.db2.gz YLIODICNTYSQNL-DICXZTSXSA-N 0 0 579.078 6.565 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409350450 1072543918 /nfs/dbraw/zinc/54/39/18/1072543918.db2.gz YISAIHZAYXNWLM-UFFVCSGVSA-N 0 0 630.210 8.503 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1O[C@@H](C)CC ZINC000409142864 1072543933 /nfs/dbraw/zinc/54/39/33/1072543933.db2.gz DEISJSODXLNBAS-PCXKXAPESA-N 0 0 505.061 5.771 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1O[C@H](C)CC ZINC000409142861 1072544072 /nfs/dbraw/zinc/54/40/72/1072544072.db2.gz DEISJSODXLNBAS-NWGMWSOJSA-N 0 0 505.061 5.771 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409142957 1072544466 /nfs/dbraw/zinc/54/44/66/1072544466.db2.gz MFERSMFRVODLIQ-BRJLIKDPSA-N 0 0 719.623 6.626 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409350305 1072544908 /nfs/dbraw/zinc/54/49/08/1072544908.db2.gz XLDMZOKMVKYTNA-OEAKJJBVSA-N 0 0 530.498 7.685 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409349900 1072546248 /nfs/dbraw/zinc/54/62/48/1072546248.db2.gz RFDJJJJZDCJLEX-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409349675 1072548341 /nfs/dbraw/zinc/54/83/41/1072548341.db2.gz QLJXYPVBVYGFOG-ZRGSRPPYSA-N 0 0 545.705 6.278 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OC ZINC000409349670 1072548474 /nfs/dbraw/zinc/54/84/74/1072548474.db2.gz VWOJDMGHOARVRW-RQZCQDPDSA-N 0 0 561.850 5.766 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)cc1 ZINC000409349454 1072548765 /nfs/dbraw/zinc/54/87/65/1072548765.db2.gz QDHKLJWPCIBUIT-XYGWBWBKSA-N 0 0 502.661 6.542 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409349703 1072548908 /nfs/dbraw/zinc/54/89/08/1072548908.db2.gz VYUJPZNUCZIYIU-YVNNLAQVSA-N 0 0 655.957 6.501 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409142212 1072549645 /nfs/dbraw/zinc/54/96/45/1072549645.db2.gz CEXSSAOOWGXGQI-LSHDLFTRSA-N 0 0 539.635 5.312 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409349554 1072549774 /nfs/dbraw/zinc/54/97/74/1072549774.db2.gz QURDTFHMZKTDIU-UUYOSTAYSA-N 0 0 605.919 7.394 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409349544 1072549830 /nfs/dbraw/zinc/54/98/30/1072549830.db2.gz QSOPFYCYKUSCOW-VULFUBBASA-N 0 0 573.567 7.833 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409349383 1072550231 /nfs/dbraw/zinc/55/02/31/1072550231.db2.gz PKRQNBOTKPWFMU-WGOQTCKBSA-N 0 0 548.686 6.134 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409141909 1072551105 /nfs/dbraw/zinc/55/11/05/1072551105.db2.gz CFTXPMAUTAQXCT-ROTLSHHCSA-N 0 0 660.599 6.328 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409349256 1072551602 /nfs/dbraw/zinc/55/16/02/1072551602.db2.gz VEOOVRJSWGLUIW-JJFYIABZSA-N 0 0 547.441 6.895 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1C ZINC000409349011 1072551955 /nfs/dbraw/zinc/55/19/55/1072551955.db2.gz ULWUAHLZAHIYOB-XKZIYDEJSA-N 0 0 513.065 7.422 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1Cl ZINC000409349279 1072552109 /nfs/dbraw/zinc/55/21/09/1072552109.db2.gz VHCPIKFLCPXUAV-QQXSKIMKSA-N 0 0 518.059 7.487 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 ZINC000409349102 1072552867 /nfs/dbraw/zinc/55/28/67/1072552867.db2.gz ULPJFZWZDNHQGA-NHDPSOOVSA-N 0 0 595.418 7.570 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409349138 1072552905 /nfs/dbraw/zinc/55/29/05/1072552905.db2.gz VBOVQABHLDEULQ-ZMOGYAJESA-N 0 0 530.498 7.685 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409348869 1072553328 /nfs/dbraw/zinc/55/33/28/1072553328.db2.gz SXILPKPAZWXZBN-JMIUGGIZSA-N 0 0 554.518 5.618 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)SC2=S)cc1 ZINC000409348919 1072553342 /nfs/dbraw/zinc/55/33/42/1072553342.db2.gz UBJDWRKQKRUHNR-WGARJPEWSA-N 0 0 549.714 6.622 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409348945 1072553694 /nfs/dbraw/zinc/55/36/94/1072553694.db2.gz TVQFRUBJPPXWGX-UCQKPKSFSA-N 0 0 574.949 7.794 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409348956 1072553701 /nfs/dbraw/zinc/55/37/01/1072553701.db2.gz TZYJLDCWLIDGEB-QRVIBDJDSA-N 0 0 565.051 5.619 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(OCC)cc4)C(=S)N3CC(=O)OC)c2C)cc1 ZINC000409141258 1072554137 /nfs/dbraw/zinc/55/41/37/1072554137.db2.gz HKNMOPWWNQGPJQ-USHMODERSA-N 0 0 589.714 5.597 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409348985 1072554315 /nfs/dbraw/zinc/55/43/15/1072554315.db2.gz UIZFNFXEPGRSQI-NVMNQCDNSA-N 0 0 501.243 7.966 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409141002 1072555805 /nfs/dbraw/zinc/55/58/05/1072555805.db2.gz GOFKGCLBYVKTFY-ONUIUJJFSA-N 0 0 563.542 6.927 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000409140865 1072556805 /nfs/dbraw/zinc/55/68/05/1072556805.db2.gz SYDVGOHBMGJUAF-BWAHOGKJSA-N 0 0 517.720 5.660 40 10 KKCBRN COc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409140427 1072559125 /nfs/dbraw/zinc/55/91/25/1072559125.db2.gz DNZVFESIBOVFDW-DIBXZPPDSA-N 0 0 514.672 6.173 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409347897 1072560570 /nfs/dbraw/zinc/56/05/70/1072560570.db2.gz NLPCEOKBQZWBML-XKZIYDEJSA-N 0 0 530.896 7.083 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409347692 1072561007 /nfs/dbraw/zinc/56/10/07/1072561007.db2.gz QQERIWCGYGJMTO-KSEXSDGBSA-N 0 0 588.476 6.700 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409347546 1072561935 /nfs/dbraw/zinc/56/19/35/1072561935.db2.gz QJEHOVWIENSZPI-HAHDFKILSA-N 0 0 555.077 5.873 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409139797 1072561999 /nfs/dbraw/zinc/56/19/99/1072561999.db2.gz FFRGJRFCORSTNH-KVSWJAHQSA-N 0 0 644.690 7.867 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)N(C)C2=S)cc1 ZINC000409139860 1072562291 /nfs/dbraw/zinc/56/22/91/1072562291.db2.gz PBQHQVKNKZTFML-IWIPYMOSSA-N 0 0 524.484 6.168 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc2ccccc21 ZINC000409347552 1072562469 /nfs/dbraw/zinc/56/24/69/1072562469.db2.gz QKDSCGKAZUZXBM-OYKKKHCWSA-N 0 0 529.555 6.854 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409347655 1072562933 /nfs/dbraw/zinc/56/29/33/1072562933.db2.gz MJRINBPLPWIHIW-FBHDLOMBSA-N 0 0 569.304 7.880 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409347436 1072563962 /nfs/dbraw/zinc/56/39/62/1072563962.db2.gz QALCKEVYPBXRRW-UUYOSTAYSA-N 0 0 535.996 7.352 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1 ZINC000409347518 1072564448 /nfs/dbraw/zinc/56/44/48/1072564448.db2.gz MLWNKCGNPSXJSC-IWIPYMOSSA-N 0 0 583.529 6.443 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409139333 1072566180 /nfs/dbraw/zinc/56/61/80/1072566180.db2.gz CVPBMFJEBYVCRI-JVWAILMASA-N 0 0 575.111 6.935 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409139008 1072567427 /nfs/dbraw/zinc/56/74/27/1072567427.db2.gz LDQHFZZHUWSJRJ-ITYLOYPMSA-N 0 0 500.645 6.525 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409147213 1072577544 /nfs/dbraw/zinc/57/75/44/1072577544.db2.gz VNOBXHUTLSKLSJ-QHSFOXILSA-N 0 0 518.708 5.401 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409365691 1072577707 /nfs/dbraw/zinc/57/77/07/1072577707.db2.gz VUSYBCBMJXUDJP-UHFFFAOYSA-N 0 0 565.557 5.435 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409147013 1072578101 /nfs/dbraw/zinc/57/81/01/1072578101.db2.gz VWCQHYONPCZNKJ-BHGWPJFGSA-N 0 0 618.018 7.130 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)S1)c1ccccc1 ZINC000409147014 1072578110 /nfs/dbraw/zinc/57/81/10/1072578110.db2.gz UIUUYFMSCOKTNX-NDENLUEZSA-N 0 0 590.268 6.330 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409146845 1072578917 /nfs/dbraw/zinc/57/89/17/1072578917.db2.gz UEAMQJJXHRODLL-QRVIBDJDSA-N 0 0 537.504 7.009 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409146676 1072579111 /nfs/dbraw/zinc/57/91/11/1072579111.db2.gz UUKYIZPPYXZOAU-UVHMKAGCSA-N 0 0 605.782 5.778 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146631 1072580997 /nfs/dbraw/zinc/58/09/97/1072580997.db2.gz UZYFBEZXTHTUDY-ZVBGSRNCSA-N 0 0 533.502 6.702 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409146562 1072581074 /nfs/dbraw/zinc/58/10/74/1072581074.db2.gz UQYRXTLEDXUKME-GATIEOLUSA-N 0 0 601.950 7.655 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409146362 1072581419 /nfs/dbraw/zinc/58/14/19/1072581419.db2.gz TWGBIYQDUDOCOR-BHGWPJFGSA-N 0 0 631.589 6.625 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409145505 1072586507 /nfs/dbraw/zinc/58/65/07/1072586507.db2.gz OAVFXBCBHCKDNG-NDENLUEZSA-N 0 0 557.009 5.299 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145128 1072589269 /nfs/dbraw/zinc/58/92/69/1072589269.db2.gz MROQRJAXYZRTAY-AUEPDCJTSA-N 0 0 580.644 5.744 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409145005 1072590148 /nfs/dbraw/zinc/59/01/48/1072590148.db2.gz OXVZKABMWMRQQB-BKUYFWCQSA-N 0 0 568.405 5.345 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409157090 1072592614 /nfs/dbraw/zinc/59/26/14/1072592614.db2.gz HQSHHBUZXKUZSB-CCVNUDIWSA-N 0 0 612.579 7.710 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409156778 1072593886 /nfs/dbraw/zinc/59/38/86/1072593886.db2.gz STWOLDQBJKUDDV-UZEJHQAJSA-N 0 0 600.167 9.477 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409155393 1072600402 /nfs/dbraw/zinc/60/04/02/1072600402.db2.gz IPLWZTHULDGZAH-UMTXDNHDSA-N 0 0 534.450 6.958 40 10 KKCBRN Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409358709 1072618424 /nfs/dbraw/zinc/61/84/24/1072618424.db2.gz GAIUSTCSZBCTBP-ZQHSETAFSA-N 0 0 506.632 6.534 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152291 1072619745 /nfs/dbraw/zinc/61/97/45/1072619745.db2.gz JOYIXKQUPHVCJZ-FHAGJXEFSA-N 0 0 564.829 8.535 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409151420 1072623895 /nfs/dbraw/zinc/62/38/95/1072623895.db2.gz BFAVCFKYKNZHOX-CIAFOILYSA-N 0 0 544.858 6.185 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409151454 1072624418 /nfs/dbraw/zinc/62/44/18/1072624418.db2.gz GYZOGQPBBCNWDL-AFPJDJCSSA-N 0 0 543.523 5.517 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409377079 1072626077 /nfs/dbraw/zinc/62/60/77/1072626077.db2.gz GDVAYKZIUGNHBD-UHFFFAOYSA-N 0 0 600.002 6.089 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409150589 1072627922 /nfs/dbraw/zinc/62/79/22/1072627922.db2.gz CXBYDCURFOVWSO-JOWJHRDDSA-N 0 0 610.719 8.732 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)SC1=S ZINC000409376322 1072629693 /nfs/dbraw/zinc/62/96/93/1072629693.db2.gz XAYOLJVTWUJGIS-SXGWCWSVSA-N 0 0 592.172 6.774 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409150366 1072629881 /nfs/dbraw/zinc/62/98/81/1072629881.db2.gz BJCVAXHJMVJUIX-CVKSISIWSA-N 0 0 550.080 6.440 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409375918 1072630639 /nfs/dbraw/zinc/63/06/39/1072630639.db2.gz QUUQUHHPEWCCOX-HMAPJEAMSA-N 0 0 575.493 6.643 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409149877 1072631972 /nfs/dbraw/zinc/63/19/72/1072631972.db2.gz TZEWZOIGGHVPKM-CIAFOILYSA-N 0 0 516.475 6.256 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409375290 1072632250 /nfs/dbraw/zinc/63/22/50/1072632250.db2.gz ILZDQFJBEFCUBW-UHFFFAOYSA-N 0 0 614.029 6.479 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)SC2=S)c(Cl)c1 ZINC000409149767 1072633586 /nfs/dbraw/zinc/63/35/86/1072633586.db2.gz QFYXWQDYKPQFNU-WGOQTCKBSA-N 0 0 545.085 6.927 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409149597 1072634123 /nfs/dbraw/zinc/63/41/23/1072634123.db2.gz KUIRXFNHLLHJES-NHDPSOOVSA-N 0 0 528.011 5.980 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409149643 1072634527 /nfs/dbraw/zinc/63/45/27/1072634527.db2.gz MCHRHPBNPOTLJO-OCSSWDANSA-N 0 0 669.631 6.930 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409149696 1072635126 /nfs/dbraw/zinc/63/51/26/1072635126.db2.gz NTIHBKHCOXFLFM-LSHDLFTRSA-N 0 0 642.811 7.843 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409374805 1072635817 /nfs/dbraw/zinc/63/58/17/1072635817.db2.gz ZSJKGBUZDBNTAG-RWPZCVJISA-N 0 0 645.738 6.059 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149526 1072636106 /nfs/dbraw/zinc/63/61/06/1072636106.db2.gz JBEZYPMGWSROLK-PGGKNCGUSA-N 0 0 652.463 7.784 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000409373094 1072643019 /nfs/dbraw/zinc/64/30/19/1072643019.db2.gz PGTVTYHSRKEOGQ-VCHYOVAHSA-N 0 0 524.838 6.845 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409148328 1072643380 /nfs/dbraw/zinc/64/33/80/1072643380.db2.gz YJJPNZZZWSHZTA-OYKKKHCWSA-N 0 0 537.866 7.904 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409147960 1072644420 /nfs/dbraw/zinc/64/44/20/1072644420.db2.gz XGCYYVDJPIFAHS-HMAPJEAMSA-N 0 0 527.429 6.371 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409147992 1072644856 /nfs/dbraw/zinc/64/48/56/1072644856.db2.gz XOKOEBFYUZUSRU-UCQKPKSFSA-N 0 0 507.681 5.647 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409372418 1072645515 /nfs/dbraw/zinc/64/55/15/1072645515.db2.gz ZCWHELJNWLTLGA-QFEZKATASA-N 0 0 520.054 5.677 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409147501 1072649998 /nfs/dbraw/zinc/64/99/98/1072649998.db2.gz ZJZJHDPDYDEARK-VXLYETTFSA-N 0 0 534.402 6.016 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S ZINC000409371207 1072650307 /nfs/dbraw/zinc/65/03/07/1072650307.db2.gz GYRHVGBMXJHYIG-GIJQJNRQSA-N 0 0 614.286 6.862 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409166130 1072650520 /nfs/dbraw/zinc/65/05/20/1072650520.db2.gz BOWWUAGKKHVIPJ-YPCDYVTLSA-N 0 0 545.304 8.478 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S ZINC000409370708 1072652914 /nfs/dbraw/zinc/65/29/14/1072652914.db2.gz AMLKOBXMKOPSLV-YBFXNURJSA-N 0 0 548.433 5.689 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409369885 1072655857 /nfs/dbraw/zinc/65/58/57/1072655857.db2.gz GXYIVSPXEXFWAB-CIAFOILYSA-N 0 0 574.467 6.159 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S ZINC000409369074 1072660950 /nfs/dbraw/zinc/66/09/50/1072660950.db2.gz AGLGUFRURXJTSP-SRZZPIQSSA-N 0 0 548.448 6.649 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409369108 1072661008 /nfs/dbraw/zinc/66/10/08/1072661008.db2.gz CPRLMZNXUIDQOY-SSDVNMTOSA-N 0 0 687.852 8.325 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000409368891 1072661378 /nfs/dbraw/zinc/66/13/78/1072661378.db2.gz ROIPQIWVUQCEFG-FBHDLOMBSA-N 0 0 654.351 7.181 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409368896 1072661387 /nfs/dbraw/zinc/66/13/87/1072661387.db2.gz RSAMZJDDTARWHA-SOFYXZRVSA-N 0 0 563.282 5.798 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S ZINC000409368202 1072666097 /nfs/dbraw/zinc/66/60/97/1072666097.db2.gz PGTHUPKVQNOUGL-WDZFZDKYSA-N 0 0 540.191 5.129 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409368234 1072666111 /nfs/dbraw/zinc/66/61/11/1072666111.db2.gz VBQBMVTZCRXAMW-ZDLGFXPLSA-N 0 0 605.363 6.881 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409368081 1072667163 /nfs/dbraw/zinc/66/71/63/1072667163.db2.gz RAEAQQMCPHHSRI-HMAPJEAMSA-N 0 0 546.501 7.263 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409162988 1072667497 /nfs/dbraw/zinc/66/74/97/1072667497.db2.gz KIIZFDMKGYPYDU-XOWTYJCDSA-N 0 0 606.300 8.087 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000409367916 1072668232 /nfs/dbraw/zinc/66/82/32/1072668232.db2.gz NWNHRJPKFIYVBG-VCHYOVAHSA-N 0 0 569.289 6.954 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409367695 1072668300 /nfs/dbraw/zinc/66/83/00/1072668300.db2.gz DTSZJGIOWZREOX-PXNMLYILSA-N 0 0 546.299 5.760 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409367787 1072668800 /nfs/dbraw/zinc/66/88/00/1072668800.db2.gz GKEJEEVUKXLVMI-WSDLNYQXSA-N 0 0 700.407 7.514 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000409367646 1072669989 /nfs/dbraw/zinc/66/99/89/1072669989.db2.gz CHVNRFBEJPVREA-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409162543 1072670507 /nfs/dbraw/zinc/67/05/07/1072670507.db2.gz WYLSCFDEIWTRNH-MZJWZYIUSA-N 0 0 605.782 5.860 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409161643 1072676135 /nfs/dbraw/zinc/67/61/35/1072676135.db2.gz NYFCZLCFNCTRHC-KSEXSDGBSA-N 0 0 586.160 6.848 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409160835 1072680443 /nfs/dbraw/zinc/68/04/43/1072680443.db2.gz ZRWZSINJAIDUBE-FYQCMVGJSA-N 0 0 603.340 8.265 40 10 KKCBRN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000409160736 1072681360 /nfs/dbraw/zinc/68/13/60/1072681360.db2.gz INUZHOVPKREYNY-DHRITJCHSA-N 0 0 518.704 6.023 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)c(Cl)c1 ZINC000409160250 1072683579 /nfs/dbraw/zinc/68/35/79/1072683579.db2.gz FHXFKJXALQYMLS-SRZZPIQSSA-N 0 0 746.817 6.983 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)N2 ZINC000409158804 1072692060 /nfs/dbraw/zinc/69/20/60/1072692060.db2.gz ZASLLPJSLGPCHC-QJMRKGMQSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409158887 1072692409 /nfs/dbraw/zinc/69/24/09/1072692409.db2.gz LXZRJYXEWSUYAB-IECBHUPTSA-N 0 0 541.829 7.425 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409158339 1072694128 /nfs/dbraw/zinc/69/41/28/1072694128.db2.gz YCXTYXPKFFIJKZ-FBHDLOMBSA-N 0 0 579.303 6.838 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409158295 1072695008 /nfs/dbraw/zinc/69/50/08/1072695008.db2.gz OHPAJXDLOZIZGU-HHJKRLRDSA-N 0 0 571.855 7.433 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409157546 1072698728 /nfs/dbraw/zinc/69/87/28/1072698728.db2.gz WBFDQPBBLDDENO-JFLMPSFJSA-N 0 0 617.684 5.442 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157296 1072699697 /nfs/dbraw/zinc/69/96/97/1072699697.db2.gz IFHGLSCCTMRJAZ-UAVUOLJFSA-N 0 0 599.274 9.189 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 ZINC000409383114 1072704195 /nfs/dbraw/zinc/70/41/95/1072704195.db2.gz UMDCZSYCUOPQCQ-VEILYXNESA-N 0 0 542.705 5.562 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409383141 1072704737 /nfs/dbraw/zinc/70/47/37/1072704737.db2.gz UVBHKSGNJNAUEQ-UHFFFAOYSA-N 0 0 670.516 6.457 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)SC1=S ZINC000409382349 1072707493 /nfs/dbraw/zinc/70/74/93/1072707493.db2.gz SIVPLJMZPRKPES-YVLHZVERSA-N 0 0 513.276 6.012 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176447 1072710704 /nfs/dbraw/zinc/71/07/04/1072710704.db2.gz NNRRYYJTSLZMSG-AWQFTUOYSA-N 0 0 531.930 6.494 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409176454 1072711224 /nfs/dbraw/zinc/71/12/24/1072711224.db2.gz NXCRYVQRNGOJKE-VROXFSQNSA-N 0 0 558.096 7.015 40 10 KKCBRN COc1ccccc1NC(=O)COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409381447 1072711295 /nfs/dbraw/zinc/71/12/95/1072711295.db2.gz UHWMZQKSGIBGJS-UHFFFAOYSA-N 0 0 612.038 5.958 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)ccc1Cl ZINC000409176047 1072712932 /nfs/dbraw/zinc/71/29/32/1072712932.db2.gz XLQVNNVEZPEBKW-MYKKPKGFSA-N 0 0 620.942 7.296 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409175803 1072714823 /nfs/dbraw/zinc/71/48/23/1072714823.db2.gz VCCYITHJJCVNPG-GOHWNWGWSA-N 0 0 604.328 8.695 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409175774 1072714911 /nfs/dbraw/zinc/71/49/11/1072714911.db2.gz CRMMKLYSJKQDOA-CFRMEGHHSA-N 0 0 511.018 7.335 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409175452 1072716097 /nfs/dbraw/zinc/71/60/97/1072716097.db2.gz RMZNLFQZGCGPKX-IECBHUPTSA-N 0 0 575.728 8.279 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409175170 1072717916 /nfs/dbraw/zinc/71/79/16/1072717916.db2.gz QYPZYMSSAOSPRH-YYULODDRSA-N 0 0 571.855 7.433 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409379403 1072722739 /nfs/dbraw/zinc/72/27/39/1072722739.db2.gz WUBJCIHCQXDQHB-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)N(CC)C3=O)c2-c2ccccc2)cc1 ZINC000409392525 1072725748 /nfs/dbraw/zinc/72/57/48/1072725748.db2.gz QAPHFABYJSEHCI-XHPQRKPJSA-N 0 0 549.652 5.635 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)NC1=S ZINC000409389795 1072731424 /nfs/dbraw/zinc/73/14/24/1072731424.db2.gz AKFDOPOYLKVKLX-OEAKJJBVSA-N 0 0 538.467 5.082 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409400105 1072746752 /nfs/dbraw/zinc/74/67/52/1072746752.db2.gz OVVGVHGYGRCVMH-GTWSWNCMSA-N 0 0 513.597 6.288 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409169968 1072747592 /nfs/dbraw/zinc/74/75/92/1072747592.db2.gz RMZWDNMEXVKWRW-WPWMEQJKSA-N 0 0 529.662 6.095 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409168961 1072752945 /nfs/dbraw/zinc/75/29/45/1072752945.db2.gz OIEOHQLMCTVOPE-JXQFQVJHSA-N 0 0 507.384 6.771 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(OCc2ccccc2)c1 ZINC000409168590 1072753867 /nfs/dbraw/zinc/75/38/67/1072753867.db2.gz NDLHBJIAZNWNIV-MZJWZYIUSA-N 0 0 559.644 5.516 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186230 1072762302 /nfs/dbraw/zinc/76/23/02/1072762302.db2.gz ZEEVMRUWNXVHJB-MFWYCIKYSA-N 0 0 582.638 5.581 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186066 1072763242 /nfs/dbraw/zinc/76/32/42/1072763242.db2.gz WDZBWDDMEDMNQP-LDQPIKMASA-N 0 0 777.299 8.619 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186106 1072763644 /nfs/dbraw/zinc/76/36/44/1072763644.db2.gz WQHGIEIFNKASQA-RQBSVBTHSA-N 0 0 984.492 9.631 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186100 1072763731 /nfs/dbraw/zinc/76/37/31/1072763731.db2.gz WOTDTYGABVWDEB-RNYSJYKOSA-N 0 0 705.280 8.149 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186151 1072764065 /nfs/dbraw/zinc/76/40/65/1072764065.db2.gz XSHVGATURAEUEW-DKDMBQFYSA-N 0 0 841.622 9.192 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186163 1072764506 /nfs/dbraw/zinc/76/45/06/1072764506.db2.gz XWYKFTHXUZMLNZ-ODCPUKCESA-N 0 0 733.628 6.702 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185977 1072765332 /nfs/dbraw/zinc/76/53/32/1072765332.db2.gz UFGOXKHNCHXYRA-DKDMBQFYSA-N 0 0 752.720 8.974 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186063 1072766247 /nfs/dbraw/zinc/76/62/47/1072766247.db2.gz WCBGOVYMXIWFEW-OQYXOYRJSA-N 0 0 688.762 7.257 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185776 1072766268 /nfs/dbraw/zinc/76/62/68/1072766268.db2.gz PZVZHBMXIFFVCV-LDQPIKMASA-N 0 0 821.750 8.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186054 1072766426 /nfs/dbraw/zinc/76/64/26/1072766426.db2.gz VYKPGQVYVBJQFV-QBAUVBECSA-N 0 0 668.863 8.104 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(O)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185826 1072767127 /nfs/dbraw/zinc/76/71/27/1072767127.db2.gz QVTGDNXLRTWVBR-AMMKBXEKSA-N 0 0 593.705 5.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185840 1072767286 /nfs/dbraw/zinc/76/72/86/1072767286.db2.gz REJFZGCIIXREMY-QTIFJBHCSA-N 0 0 903.593 8.934 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185892 1072767611 /nfs/dbraw/zinc/76/76/11/1072767611.db2.gz SASPDWIRTBPNAS-WOQOLXRBSA-N 0 0 703.864 8.812 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185905 1072768148 /nfs/dbraw/zinc/76/81/48/1072768148.db2.gz SIYFNBVIUXFLEY-XAKAHBONSA-N 0 0 955.656 10.021 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185648 1072768164 /nfs/dbraw/zinc/76/81/64/1072768164.db2.gz NWSGGWJJPBLIPG-QTIFJBHCSA-N 0 0 950.593 8.776 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185657 1072768466 /nfs/dbraw/zinc/76/84/66/1072768466.db2.gz OFVPKKALVYRWCN-PNSPEURLSA-N 0 0 715.832 7.404 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185661 1072768506 /nfs/dbraw/zinc/76/85/06/1072768506.db2.gz OGTULEAHUICUBA-BBVCIXROSA-N 0 0 639.777 7.872 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185401 1072771137 /nfs/dbraw/zinc/77/11/37/1072771137.db2.gz LDERIFQCCJGWMC-YDNXKDDVSA-N 0 0 720.251 8.049 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185470 1072771222 /nfs/dbraw/zinc/77/12/22/1072771222.db2.gz LSBAVBQRSLUJIO-OCVFGFKHSA-N 0 0 618.803 6.926 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OCC)CCCC4)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185122 1072772601 /nfs/dbraw/zinc/77/26/01/1072772601.db2.gz JLXQYQOUICJPHZ-LKVUVBQHSA-N 0 0 772.993 8.604 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185141 1072772631 /nfs/dbraw/zinc/77/26/31/1072772631.db2.gz JUNAXOKXUCDSCS-KRJBTMGSSA-N 0 0 940.041 9.521 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184909 1072773073 /nfs/dbraw/zinc/77/30/73/1072773073.db2.gz YSFDHYDTYKDOBS-BITBMSFSSA-N 0 0 740.684 9.105 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(OC)c2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184990 1072773992 /nfs/dbraw/zinc/77/39/92/1072773992.db2.gz ZUKZEQJWXRHOKQ-JBGJLSNCSA-N 0 0 607.732 6.097 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184847 1072774438 /nfs/dbraw/zinc/77/44/38/1072774438.db2.gz IHAULPFQNSUOJZ-AAFKRTSJSA-N 0 0 620.775 6.663 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184814 1072774573 /nfs/dbraw/zinc/77/45/73/1072774573.db2.gz HXUMXTUKECZHNM-DKDMBQFYSA-N 0 0 888.622 9.035 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184461 1072775795 /nfs/dbraw/zinc/77/57/95/1072775795.db2.gz XFYWXVRVQHTKIU-URVOSIMGSA-N 0 0 764.923 9.205 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OCC)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184517 1072776275 /nfs/dbraw/zinc/77/62/75/1072776275.db2.gz GXYHPAYGWQZFGH-SCRXMSBISA-N 0 0 758.691 6.793 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184584 1072776757 /nfs/dbraw/zinc/77/67/57/1072776757.db2.gz HAUIIXCFOINIFD-VJFJOSMZSA-N 0 0 824.697 8.172 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(OC)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184332 1072777108 /nfs/dbraw/zinc/77/71/08/1072777108.db2.gz WECJILMXEAKNQV-JIIYESLPSA-N 0 0 628.150 6.447 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184413 1072777755 /nfs/dbraw/zinc/77/77/55/1072777755.db2.gz GPTLKRQAFQPUKE-PHBIEMHDSA-N 0 0 728.827 7.576 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184218 1072778478 /nfs/dbraw/zinc/77/84/78/1072778478.db2.gz FTWYYBSHRJSICI-RQBSVBTHSA-N 0 0 757.139 9.619 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409184082 1072778978 /nfs/dbraw/zinc/77/89/78/1072778978.db2.gz WQAOCWMRMVHDNS-VULFUBBASA-N 0 0 628.972 8.778 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183797 1072780805 /nfs/dbraw/zinc/78/08/05/1072780805.db2.gz DOUBPICDRKSUNB-BGJJWFEMSA-N 0 0 683.878 7.553 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183794 1072780869 /nfs/dbraw/zinc/78/08/69/1072780869.db2.gz DOKBVUQRLFQQAD-LYVUSLOXSA-N 0 0 746.727 8.730 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183817 1072781319 /nfs/dbraw/zinc/78/13/19/1072781319.db2.gz SYEDRRDNEAJDML-GBHGQGFISA-N 0 0 698.801 7.567 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183589 1072781629 /nfs/dbraw/zinc/78/16/29/1072781629.db2.gz CCGRRUGWMMLSPW-ZSTRCEBYSA-N 0 0 697.857 8.058 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183607 1072781637 /nfs/dbraw/zinc/78/16/37/1072781637.db2.gz CISXLTUGXRKGQJ-PCQFMPIMSA-N 0 0 711.287 8.736 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183309 1072783403 /nfs/dbraw/zinc/78/34/03/1072783403.db2.gz BFIZIINJARKKMZ-LYVUSLOXSA-N 0 0 701.820 7.807 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183339 1072784016 /nfs/dbraw/zinc/78/40/16/1072784016.db2.gz BJEMLJHLMHHLLG-CMVXPJNKSA-N 0 0 641.793 7.632 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183108 1072786665 /nfs/dbraw/zinc/78/66/65/1072786665.db2.gz AGDOZDJFOMSQLJ-DKDMBQFYSA-N 0 0 797.171 9.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183122 1072786746 /nfs/dbraw/zinc/78/67/46/1072786746.db2.gz QCPCGJNFEVCQFP-UPQXCOSDSA-N 0 0 626.576 6.842 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182828 1072788129 /nfs/dbraw/zinc/78/81/29/1072788129.db2.gz OKKVWZVLQXNHKI-RQBSVBTHSA-N 0 0 801.590 9.728 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409182403 1072791971 /nfs/dbraw/zinc/79/19/71/1072791971.db2.gz LNNGXOIGXVRNLV-UFFVCSGVSA-N 0 0 599.330 7.888 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409181921 1072794304 /nfs/dbraw/zinc/79/43/04/1072794304.db2.gz GUBDMTDJPKVXES-GIDUJCDVSA-N 0 0 645.684 6.493 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409181829 1072795981 /nfs/dbraw/zinc/79/59/81/1072795981.db2.gz FXFAIOYIQHHGJM-SSDVNMTOSA-N 0 0 660.357 8.121 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181490 1072797512 /nfs/dbraw/zinc/79/75/12/1072797512.db2.gz BRYNHQCQKFUJIU-JQELSTPGSA-N 0 0 823.753 8.580 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181530 1072798431 /nfs/dbraw/zinc/79/84/31/1072798431.db2.gz CSBXOHFSMYIRKW-QICITKFESA-N 0 0 691.047 7.504 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409181383 1072799313 /nfs/dbraw/zinc/79/93/13/1072799313.db2.gz BWIYIRVOMSAEEO-LSHDLFTRSA-N 0 0 575.983 6.892 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409180580 1072803199 /nfs/dbraw/zinc/80/31/99/1072803199.db2.gz XIBXJUDQLPUAMZ-AFUMVMLFSA-N 0 0 586.566 6.965 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409179892 1072807833 /nfs/dbraw/zinc/80/78/33/1072807833.db2.gz PHRCLICMJOZFOO-MTJSOVHGSA-N 0 0 536.027 5.661 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S)c1ccccc1 ZINC000409179531 1072809138 /nfs/dbraw/zinc/80/91/38/1072809138.db2.gz PROLUKGIMAQSGX-DEDYPNTBSA-N 0 0 698.345 6.021 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409179087 1072811899 /nfs/dbraw/zinc/81/18/99/1072811899.db2.gz PATNZRSEXNQMOF-AWQFTUOYSA-N 0 0 648.200 8.642 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S)c1ccccc1 ZINC000409178668 1072815169 /nfs/dbraw/zinc/81/51/69/1072815169.db2.gz HIQGUFWMBVXTLS-FMCGGJTJSA-N 0 0 522.026 6.028 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409178728 1072815615 /nfs/dbraw/zinc/81/56/15/1072815615.db2.gz MUTZOZICLSUNIO-CFRMEGHHSA-N 0 0 557.068 6.610 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S)c1ccccc1 ZINC000409178364 1072816869 /nfs/dbraw/zinc/81/68/69/1072816869.db2.gz LFLZEOJMBHVOBN-UCQKPKSFSA-N 0 0 504.036 5.889 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409177653 1072822009 /nfs/dbraw/zinc/82/20/09/1072822009.db2.gz HKFXMXSGHWIEIT-FSJBWODESA-N 0 0 543.041 6.219 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177418 1072823330 /nfs/dbraw/zinc/82/33/30/1072823330.db2.gz DSNXFJMRWPNBPY-ZVBGSRNCSA-N 0 0 524.853 7.771 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196970 1072828479 /nfs/dbraw/zinc/82/84/79/1072828479.db2.gz YMSAQMXNLXGWMG-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196730 1072828792 /nfs/dbraw/zinc/82/87/92/1072828792.db2.gz WRCYIHBUDSWMLC-YDZHTSKRSA-N 0 0 571.474 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409196341 1072832029 /nfs/dbraw/zinc/83/20/29/1072832029.db2.gz UALUHXTZCZGQAE-LPYMAVHISA-N 0 0 588.505 6.291 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409195986 1072834963 /nfs/dbraw/zinc/83/49/63/1072834963.db2.gz LXAIFDQBMMXWKH-QRVIBDJDSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409195402 1072838216 /nfs/dbraw/zinc/83/82/16/1072838216.db2.gz PPFISPUNGNKKGL-SRZZPIQSSA-N 0 0 672.791 7.701 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409195259 1072838800 /nfs/dbraw/zinc/83/88/00/1072838800.db2.gz NWJDFEXAENTJMB-MTJSOVHGSA-N 0 0 517.445 6.123 40 10 KKCBRN Cc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409194016 1072846373 /nfs/dbraw/zinc/84/63/73/1072846373.db2.gz KHARVNQNJQSBGH-UHFFFAOYSA-N 0 0 509.543 5.912 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409193541 1072849280 /nfs/dbraw/zinc/84/92/80/1072849280.db2.gz GDCFMNANLVOTEL-YDZHTSKRSA-N 0 0 571.474 6.741 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409193153 1072851064 /nfs/dbraw/zinc/85/10/64/1072851064.db2.gz CZRQHGYSQHSVOS-WSDLNYQXSA-N 0 0 639.818 8.249 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC(C)C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409192182 1072857772 /nfs/dbraw/zinc/85/77/72/1072857772.db2.gz BGVLSMGVLFVRCM-HRIDGTDGSA-N 0 0 634.154 5.343 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409207131 1072886875 /nfs/dbraw/zinc/88/68/75/1072886875.db2.gz SELUPNFMOIHZFY-VROXFSQNSA-N 0 0 592.496 6.177 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S ZINC000409206970 1072887671 /nfs/dbraw/zinc/88/76/71/1072887671.db2.gz XVEBULBOQBLHAN-BUVRLJJBSA-N 0 0 505.665 5.783 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409206375 1072891875 /nfs/dbraw/zinc/89/18/75/1072891875.db2.gz IXBKZDUIDOBMMN-LPYMAVHISA-N 0 0 624.953 6.878 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409205992 1072894859 /nfs/dbraw/zinc/89/48/59/1072894859.db2.gz ULJQBISPBUDTGE-LPYMAVHISA-N 0 0 618.474 6.501 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409206037 1072894867 /nfs/dbraw/zinc/89/48/67/1072894867.db2.gz GZUZLMQDNCKDNC-KSEXSDGBSA-N 0 0 574.352 8.165 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409205833 1072895581 /nfs/dbraw/zinc/89/55/81/1072895581.db2.gz KLLOGEPBQJIJFU-CFRMEGHHSA-N 0 0 506.605 6.205 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc(Br)c1 ZINC000409205914 1072896125 /nfs/dbraw/zinc/89/61/25/1072896125.db2.gz QWZTUTOQQCAXOY-NHDPSOOVSA-N 0 0 579.310 7.336 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409205723 1072896759 /nfs/dbraw/zinc/89/67/59/1072896759.db2.gz JQJSZEBLYULZAC-VYYCAZPPSA-N 0 0 589.967 8.665 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409205561 1072897473 /nfs/dbraw/zinc/89/74/73/1072897473.db2.gz CZEUCMGQBUZISE-UQQQWYQISA-N 0 0 537.597 6.528 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409205475 1072899097 /nfs/dbraw/zinc/89/90/97/1072899097.db2.gz NOGDGMWWUWHEIK-JJFYIABZSA-N 0 0 546.548 6.607 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409205110 1072900595 /nfs/dbraw/zinc/90/05/95/1072900595.db2.gz LWNYAOGPZSUMIM-XKZIYDEJSA-N 0 0 652.373 7.356 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409205126 1072900631 /nfs/dbraw/zinc/90/06/31/1072900631.db2.gz MGYOWDLSEVLGPH-SRZZPIQSSA-N 0 0 549.552 6.370 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409204576 1072904606 /nfs/dbraw/zinc/90/46/06/1072904606.db2.gz AMZZSKQETWSQSQ-KEBDBYFISA-N 0 0 598.422 7.124 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409204291 1072906573 /nfs/dbraw/zinc/90/65/73/1072906573.db2.gz DRYFBERHTPCFFU-WGOQTCKBSA-N 0 0 549.718 6.182 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409202725 1072911900 /nfs/dbraw/zinc/91/19/00/1072911900.db2.gz RQEGTSMNNSDNMD-KEBDBYFISA-N 0 0 501.345 5.071 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000409201881 1072915602 /nfs/dbraw/zinc/91/56/02/1072915602.db2.gz QVDJQTIQFUKFHA-OEAKJJBVSA-N 0 0 526.477 6.833 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409199555 1072925449 /nfs/dbraw/zinc/92/54/49/1072925449.db2.gz OXOHRBHQJRIYPR-BUVRLJJBSA-N 0 0 524.589 7.145 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1 ZINC000409198793 1072927440 /nfs/dbraw/zinc/92/74/40/1072927440.db2.gz FIVBORIKYZRCOH-UUYOSTAYSA-N 0 0 541.025 5.989 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409198351 1072930106 /nfs/dbraw/zinc/93/01/06/1072930106.db2.gz DKEFEAXVDWKBGJ-WOJGMQOQSA-N 0 0 510.356 7.134 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409198232 1072930906 /nfs/dbraw/zinc/93/09/06/1072930906.db2.gz AJBIYGVXPWYVDH-QFEZKATASA-N 0 0 585.513 5.913 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409197708 1072934703 /nfs/dbraw/zinc/93/47/03/1072934703.db2.gz MSYHTWFBIVKINV-CIAFOILYSA-N 0 0 563.926 6.646 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1C ZINC000409197547 1072935546 /nfs/dbraw/zinc/93/55/46/1072935546.db2.gz ILHYTNJWALEGSA-RHANQZHGSA-N 0 0 504.680 7.865 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409207498 1072942679 /nfs/dbraw/zinc/94/26/79/1072942679.db2.gz VHOSIASWAFRJAR-XYGWBWBKSA-N 0 0 548.089 6.228 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409207476 1072942698 /nfs/dbraw/zinc/94/26/98/1072942698.db2.gz UTBLEBPQICFRLT-NSIKDUERSA-N 0 0 534.638 6.179 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409209792 1072967548 /nfs/dbraw/zinc/96/75/48/1072967548.db2.gz HBZIDJOUKITFAQ-ZDLGFXPLSA-N 0 0 500.350 7.678 40 10 KKCBRN CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409226083 1072975587 /nfs/dbraw/zinc/97/55/87/1072975587.db2.gz RYITWIUZLAMFMC-OEAKJJBVSA-N 0 0 713.525 5.480 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409224743 1072982291 /nfs/dbraw/zinc/98/22/91/1072982291.db2.gz IWHRSDYUPMPSTJ-QFEZKATASA-N 0 0 567.132 7.087 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409224690 1072982331 /nfs/dbraw/zinc/98/23/31/1072982331.db2.gz IQMBDWAEMKVLAB-IWIPYMOSSA-N 0 0 553.105 6.643 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409223843 1072986250 /nfs/dbraw/zinc/98/62/50/1072986250.db2.gz IVMNXXYYKCKZNC-UHFFFAOYSA-N 0 0 610.464 6.358 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409223236 1072989360 /nfs/dbraw/zinc/98/93/60/1072989360.db2.gz DTKKHHFQTPDNHS-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409222995 1072990748 /nfs/dbraw/zinc/99/07/48/1072990748.db2.gz YJACXPLXEMBIEW-ITYLOYPMSA-N 0 0 562.669 5.131 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409222733 1072990805 /nfs/dbraw/zinc/99/08/05/1072990805.db2.gz DVNNAHXNPKASCP-UFFVCSGVSA-N 0 0 518.397 6.215 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409222025 1072995568 /nfs/dbraw/zinc/99/55/68/1072995568.db2.gz BEBMCOZPRPAEFD-OCKHKDLRSA-N 0 0 569.930 6.047 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409221591 1072997958 /nfs/dbraw/zinc/99/79/58/1072997958.db2.gz SMJJTJPRWKACOP-OYKKKHCWSA-N 0 0 555.077 6.171 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)SC1=S ZINC000409221477 1072999113 /nfs/dbraw/zinc/99/91/13/1072999113.db2.gz QUCXKFCDPBFGLF-BKUYFWCQSA-N 0 0 579.538 5.330 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409221363 1073000150 /nfs/dbraw/zinc/00/01/50/1073000150.db2.gz PIARALWFPXVUFC-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409221178 1073000526 /nfs/dbraw/zinc/00/05/26/1073000526.db2.gz LZRAPEFBCDPHNC-GHRPQRKGSA-N 0 0 587.550 7.290 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409221093 1073001243 /nfs/dbraw/zinc/00/12/43/1073001243.db2.gz KTGPDWCGNRLZSF-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409220946 1073002489 /nfs/dbraw/zinc/00/24/89/1073002489.db2.gz IFMUZUYDUDEGOE-OYKKKHCWSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409220741 1073002816 /nfs/dbraw/zinc/00/28/16/1073002816.db2.gz FEJPRXPOYYFFGS-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409220461 1073004847 /nfs/dbraw/zinc/00/48/47/1073004847.db2.gz AAITUUWSDCLSLA-YSMPRRRNSA-N 0 0 567.132 7.033 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409230056 1073016153 /nfs/dbraw/zinc/01/61/53/1073016153.db2.gz WRJRNLLSEGAOHD-UNOMPAQXSA-N 0 0 585.929 5.366 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 ZINC000409229840 1073018571 /nfs/dbraw/zinc/01/85/71/1073018571.db2.gz VMAKJEVJOGHNGH-MFKUBSTISA-N 0 0 512.591 5.326 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409229829 1073018609 /nfs/dbraw/zinc/01/86/09/1073018609.db2.gz ACAFGMRNDLRZCK-MFKUBSTISA-N 0 0 516.022 6.576 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409229519 1073020582 /nfs/dbraw/zinc/02/05/82/1073020582.db2.gz QIZUIVAPKHPBGH-STBIYBPSSA-N 0 0 509.581 6.214 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409229412 1073021661 /nfs/dbraw/zinc/02/16/61/1073021661.db2.gz OPILYWQNOHUDQN-NHDPSOOVSA-N 0 0 583.440 7.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229081 1073023875 /nfs/dbraw/zinc/02/38/75/1073023875.db2.gz JLUNTHBNHFJBKP-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409228837 1073025799 /nfs/dbraw/zinc/02/57/99/1073025799.db2.gz FWTCAFOEBFDLHT-GJQHCVRFSA-N 0 0 553.105 6.719 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409228236 1073029141 /nfs/dbraw/zinc/02/91/41/1073029141.db2.gz WGHHJCLJYYAOCK-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409227873 1073029832 /nfs/dbraw/zinc/02/98/32/1073029832.db2.gz SGOQLKLCSNZUAT-HZRSJKMUSA-N 0 0 587.550 7.372 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409236010 1073040369 /nfs/dbraw/zinc/04/03/69/1073040369.db2.gz DWZNUCYYFSJFDZ-WQRHYEAKSA-N 0 0 589.455 6.105 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409236131 1073040952 /nfs/dbraw/zinc/04/09/52/1073040952.db2.gz RGCCOJORLZHOEH-KOEQRZSOSA-N 0 0 571.102 7.037 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409235864 1073041288 /nfs/dbraw/zinc/04/12/88/1073041288.db2.gz CSSYYDHXTOHLSR-LQKURTRISA-N 0 0 547.051 7.702 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409235964 1073041960 /nfs/dbraw/zinc/04/19/60/1073041960.db2.gz QVXGEQNALFVOSL-GMPVXANTSA-N 0 0 573.523 6.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409235371 1073045086 /nfs/dbraw/zinc/04/50/86/1073045086.db2.gz PEFKZCGILJBWEL-MYYYXRDXSA-N 0 0 587.550 6.854 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409234994 1073046027 /nfs/dbraw/zinc/04/60/27/1073046027.db2.gz AJOBHPIIONDBDR-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409234562 1073048773 /nfs/dbraw/zinc/04/87/73/1073048773.db2.gz LOWJBVGQYIOSNX-OCKHKDLRSA-N 0 0 569.930 6.047 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409234565 1073048792 /nfs/dbraw/zinc/04/87/92/1073048792.db2.gz NUKKUKAKFQJHDI-MYYYXRDXSA-N 0 0 583.131 6.787 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409234128 1073051634 /nfs/dbraw/zinc/05/16/34/1073051634.db2.gz ZCOPORYATJTKAY-YVLHZVERSA-N 0 0 575.428 5.715 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409233840 1073053508 /nfs/dbraw/zinc/05/35/08/1073053508.db2.gz HYPAXPCRGKFNEA-KSEXSDGBSA-N 0 0 587.050 5.635 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409233944 1073054020 /nfs/dbraw/zinc/05/40/20/1073054020.db2.gz UUYFBWZPJIAFNV-HAHDFKILSA-N 0 0 583.529 6.443 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409233453 1073056036 /nfs/dbraw/zinc/05/60/36/1073056036.db2.gz SGTJDAUEXYCDHD-MTJSOVHGSA-N 0 0 555.505 5.647 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409233358 1073056891 /nfs/dbraw/zinc/05/68/91/1073056891.db2.gz FUXAFQSAQGBGIT-VYZAVGSRSA-N 0 0 566.623 5.502 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409233188 1073057520 /nfs/dbraw/zinc/05/75/20/1073057520.db2.gz RRISTHNBBHTLGI-FBHDLOMBSA-N 0 0 583.440 7.436 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409232654 1073059007 /nfs/dbraw/zinc/05/90/07/1073059007.db2.gz AXPOLTYXVYRNKK-ZVBGSRNCSA-N 0 0 546.393 5.810 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409232886 1073059195 /nfs/dbraw/zinc/05/91/95/1073059195.db2.gz IXNJPTVVUPRADT-XYGWBWBKSA-N 0 0 553.105 6.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409232782 1073060098 /nfs/dbraw/zinc/06/00/98/1073060098.db2.gz PUIDFABGIJPHJP-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409232121 1073062640 /nfs/dbraw/zinc/06/26/40/1073062640.db2.gz HAMGIAKRCCTKTL-RWPZCVJISA-N 0 0 619.505 6.520 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409232085 1073062775 /nfs/dbraw/zinc/06/27/75/1073062775.db2.gz NXEFXTXSUGZRLH-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)SC1=S ZINC000409231805 1073063402 /nfs/dbraw/zinc/06/34/02/1073063402.db2.gz KUWIVBDBNJFAGI-UNOMPAQXSA-N 0 0 549.512 5.703 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409232032 1073063537 /nfs/dbraw/zinc/06/35/37/1073063537.db2.gz GQWVSYMUIPLUNM-NKVSQWTQSA-N 0 0 549.888 7.070 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)SC1=S ZINC000409231266 1073066430 /nfs/dbraw/zinc/06/64/30/1073066430.db2.gz JFUPQHYQFFIXND-STZFKDTASA-N 0 0 579.538 5.875 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409231102 1073067052 /nfs/dbraw/zinc/06/70/52/1073067052.db2.gz BOFFCGGIIPFROI-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409230450 1073068763 /nfs/dbraw/zinc/06/87/63/1073068763.db2.gz DKNOMDCBHVQRQP-FDRCZSESSA-N 0 0 581.159 7.281 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409247156 1073071773 /nfs/dbraw/zinc/07/17/73/1073071773.db2.gz CEWXEAONDORHPA-MSXFZWOLSA-N 0 0 569.060 5.496 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409246976 1073072610 /nfs/dbraw/zinc/07/26/10/1073072610.db2.gz AFJFVYQUENPRIJ-UHFFFAOYSA-N 0 0 580.040 6.558 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409246415 1073077028 /nfs/dbraw/zinc/07/70/28/1073077028.db2.gz ICFQHSHWBXRPAV-UMUMUWHJSA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409246313 1073077715 /nfs/dbraw/zinc/07/77/15/1073077715.db2.gz AWKDGEFDDRXBOR-WGARJPEWSA-N 0 0 581.159 7.396 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409246108 1073078080 /nfs/dbraw/zinc/07/80/80/1073078080.db2.gz FAWNPLKRXQTLLJ-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409246102 1073078123 /nfs/dbraw/zinc/07/81/23/1073078123.db2.gz DXUAFNRIFDLJLP-CACIFTLBSA-N 0 0 573.523 6.982 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409246155 1073078599 /nfs/dbraw/zinc/07/85/99/1073078599.db2.gz FUGHRHQCEAYVGL-WKULSOCRSA-N 0 0 560.481 7.381 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409246005 1073080209 /nfs/dbraw/zinc/08/02/09/1073080209.db2.gz CJHUJXPGDNRDFT-ZVQOCGJUSA-N 0 0 567.516 5.790 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409245538 1073083047 /nfs/dbraw/zinc/08/30/47/1073083047.db2.gz VJOKXWVZERETNR-LPYMAVHISA-N 0 0 523.998 5.209 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409244338 1073088599 /nfs/dbraw/zinc/08/85/99/1073088599.db2.gz BEVVNSJUNVWLFV-XKZIYDEJSA-N 0 0 575.495 6.434 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)Nc1cccc(Cl)c1 ZINC000409244359 1073088876 /nfs/dbraw/zinc/08/88/76/1073088876.db2.gz BMAUIXQNRGELBY-PKAZHMFMSA-N 0 0 573.095 7.556 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c(C)c1 ZINC000409243708 1073092219 /nfs/dbraw/zinc/09/22/19/1073092219.db2.gz XTBOIWYAKLTCRA-QRVIBDJDSA-N 0 0 556.631 7.054 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409243235 1073093506 /nfs/dbraw/zinc/09/35/06/1073093506.db2.gz QWOQMWAFFCWEJW-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409243040 1073093910 /nfs/dbraw/zinc/09/39/10/1073093910.db2.gz USQYZGUULMXYGZ-AFUMVMLFSA-N 0 0 545.488 7.053 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000409242581 1073096048 /nfs/dbraw/zinc/09/60/48/1073096048.db2.gz OVSXHVRVZPCAHH-BKUYFWCQSA-N 0 0 579.538 5.330 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409242610 1073096266 /nfs/dbraw/zinc/09/62/66/1073096266.db2.gz WYZTZBPPGTZFIO-RMORIDSASA-N 0 0 573.479 6.141 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409242329 1073097429 /nfs/dbraw/zinc/09/74/29/1073097429.db2.gz QQULNYSZDWCUOY-USHMODERSA-N 0 0 568.676 6.911 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409242226 1073098401 /nfs/dbraw/zinc/09/84/01/1073098401.db2.gz VUJRPSLJUXQFBQ-FMCGGJTJSA-N 0 0 589.522 6.742 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000409242081 1073098602 /nfs/dbraw/zinc/09/86/02/1073098602.db2.gz UMDIOGOSHFUWSY-CHHVJCJISA-N 0 0 552.242 6.108 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409241829 1073100354 /nfs/dbraw/zinc/10/03/54/1073100354.db2.gz VDYUXXMEZXFXNB-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409241628 1073100814 /nfs/dbraw/zinc/10/08/14/1073100814.db2.gz KRSUEUYYGLGVJB-UUYOSTAYSA-N 0 0 562.566 6.276 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1Cl ZINC000409241662 1073101259 /nfs/dbraw/zinc/10/12/59/1073101259.db2.gz LGJPAXHATWSVKW-NHDPSOOVSA-N 0 0 563.915 7.379 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)cc1 ZINC000409240895 1073105255 /nfs/dbraw/zinc/10/52/55/1073105255.db2.gz LYPLKIDSXXJMDY-WCMJOSRZSA-N 0 0 595.765 7.246 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409240685 1073105815 /nfs/dbraw/zinc/10/58/15/1073105815.db2.gz UWPFDMXJFZVDNO-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409240737 1073106284 /nfs/dbraw/zinc/10/62/84/1073106284.db2.gz HQFKKWQOFTYSHU-VEILYXNESA-N 0 0 586.666 7.050 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409240548 1073106776 /nfs/dbraw/zinc/10/67/76/1073106776.db2.gz GXJYRLDXQHZHSZ-UNOMPAQXSA-N 0 0 582.485 5.101 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409240496 1073108356 /nfs/dbraw/zinc/10/83/56/1073108356.db2.gz QCFGQRZYKYRBLG-JJFYIABZSA-N 0 0 563.459 6.564 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)SC2=S)cc1 ZINC000409240259 1073108961 /nfs/dbraw/zinc/10/89/61/1073108961.db2.gz PGCKZCKJMZZTRG-UCQKPKSFSA-N 0 0 567.530 6.798 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409240335 1073109409 /nfs/dbraw/zinc/10/94/09/1073109409.db2.gz GRRPJUFRRBBILZ-LQKURTRISA-N 0 0 606.531 7.655 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409240361 1073109923 /nfs/dbraw/zinc/10/99/23/1073109923.db2.gz SWNZMQUXZKVVQL-ZVHZXABRSA-N 0 0 535.442 5.259 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409239986 1073110713 /nfs/dbraw/zinc/11/07/13/1073110713.db2.gz NUOFCFRVYBALBE-WSDLNYQXSA-N 0 0 511.363 5.100 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409239856 1073111921 /nfs/dbraw/zinc/11/19/21/1073111921.db2.gz RBGRKFDZHGIWIM-LQKURTRISA-N 0 0 650.982 7.764 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)cc1 ZINC000409239910 1073111975 /nfs/dbraw/zinc/11/19/75/1073111975.db2.gz OEZYSFXWTSUUBK-OYKKKHCWSA-N 0 0 572.630 6.700 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409239758 1073112871 /nfs/dbraw/zinc/11/28/71/1073112871.db2.gz DYGROQCRRRKZBU-WSDLNYQXSA-N 0 0 511.363 5.100 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409239283 1073114917 /nfs/dbraw/zinc/11/49/17/1073114917.db2.gz CWPVVVKWKKHYTJ-ZVHZXABRSA-N 0 0 508.043 6.546 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Br)cc1 ZINC000409238073 1073121871 /nfs/dbraw/zinc/12/18/71/1073121871.db2.gz BWTJMIZSWVZQAE-BKUYFWCQSA-N 0 0 559.894 6.526 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)c(OC)c3)SC2=S)cc1 ZINC000409238057 1073121958 /nfs/dbraw/zinc/12/19/58/1073121958.db2.gz YWYQBICMSVQEJJ-UCQKPKSFSA-N 0 0 574.602 6.146 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409237936 1073123020 /nfs/dbraw/zinc/12/30/20/1073123020.db2.gz YBEJIQORBRURHY-WQRHYEAKSA-N 0 0 586.448 5.068 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)c(C)c4)c3)SC2=S)c(C)c1 ZINC000409238013 1073123367 /nfs/dbraw/zinc/12/33/67/1073123367.db2.gz JWLHJSFUJHRMAI-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)c(OC)c3)SC2=S)cc1 ZINC000409238004 1073123371 /nfs/dbraw/zinc/12/33/71/1073123371.db2.gz KRTZDEUQGTZVQM-IWIPYMOSSA-N 0 0 588.629 6.536 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1cccc(Cl)c1 ZINC000409237756 1073123965 /nfs/dbraw/zinc/12/39/65/1073123965.db2.gz LMQPVEAPKYAIIX-FBHDLOMBSA-N 0 0 549.888 7.070 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409237660 1073125535 /nfs/dbraw/zinc/12/55/35/1073125535.db2.gz AWHRIYPCHPCNNC-YXSASFKJSA-N 0 0 584.333 7.724 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409251365 1073128230 /nfs/dbraw/zinc/12/82/30/1073128230.db2.gz PQWFGLAUCQWZMX-IWIPYMOSSA-N 0 0 571.095 6.864 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409251270 1073129412 /nfs/dbraw/zinc/12/94/12/1073129412.db2.gz UKUZNJOMLNSCSS-JVWAILMASA-N 0 0 619.124 7.482 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409251066 1073130615 /nfs/dbraw/zinc/13/06/15/1073130615.db2.gz OBQVAGGYPTVGBQ-ODLFYWEKSA-N 0 0 535.485 5.393 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409250905 1073131933 /nfs/dbraw/zinc/13/19/33/1073131933.db2.gz ORWZASXOBDNSCN-CEUNXORHSA-N 0 0 582.703 6.589 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409250677 1073133949 /nfs/dbraw/zinc/13/39/49/1073133949.db2.gz XUTXBXOIZJDILH-MOSHPQCFSA-N 0 0 565.511 5.021 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1 ZINC000409250470 1073134456 /nfs/dbraw/zinc/13/44/56/1073134456.db2.gz MAOCPPHGXBXDMJ-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409250356 1073135455 /nfs/dbraw/zinc/13/54/55/1073135455.db2.gz NHYBMNXJFLNGSI-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409250332 1073135461 /nfs/dbraw/zinc/13/54/61/1073135461.db2.gz QPFMQBGGHIJRGU-OGLMXYFKSA-N 0 0 572.086 7.002 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409250368 1073135836 /nfs/dbraw/zinc/13/58/36/1073135836.db2.gz KMLBWEBEIAMDMR-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409249945 1073139192 /nfs/dbraw/zinc/13/91/92/1073139192.db2.gz KDQQLENOMUDVQF-UUYOSTAYSA-N 0 0 529.039 5.751 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409250010 1073139682 /nfs/dbraw/zinc/13/96/82/1073139682.db2.gz PHEDXHPEOIUVGZ-OGLMXYFKSA-N 0 0 629.511 5.976 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409249622 1073140201 /nfs/dbraw/zinc/14/02/01/1073140201.db2.gz UXHCLEYMXURULH-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000409249819 1073140257 /nfs/dbraw/zinc/14/02/57/1073140257.db2.gz LSKOGFUUMRHOPU-VEILYXNESA-N 0 0 587.122 7.864 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409248236 1073150343 /nfs/dbraw/zinc/15/03/43/1073150343.db2.gz CWIKFVIBGYDXMZ-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409247725 1073152630 /nfs/dbraw/zinc/15/26/30/1073152630.db2.gz NIEUIOBARAJBDK-YQODDJSKSA-N 0 0 551.061 5.276 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409247565 1073153414 /nfs/dbraw/zinc/15/34/14/1073153414.db2.gz DJCSPJJFAZVASH-CFRMEGHHSA-N 0 0 573.523 6.988 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409256621 1073155829 /nfs/dbraw/zinc/15/58/29/1073155829.db2.gz MKCIIDMNGBWBIJ-JAIQZWGSSA-N 0 0 518.538 5.717 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409257248 1073157453 /nfs/dbraw/zinc/15/74/53/1073157453.db2.gz PLSCMKNDFFZUAI-OYKKKHCWSA-N 0 0 522.648 5.714 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1C ZINC000409257089 1073158272 /nfs/dbraw/zinc/15/82/72/1073158272.db2.gz QDMWBFOUBJFPAE-RMORIDSASA-N 0 0 543.497 7.034 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)SC2=S)cc1 ZINC000409256407 1073161823 /nfs/dbraw/zinc/16/18/23/1073161823.db2.gz KXKRPODVOAZBOG-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409256184 1073162362 /nfs/dbraw/zinc/16/23/62/1073162362.db2.gz KGBDIOSSULSXRA-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409256228 1073162373 /nfs/dbraw/zinc/16/23/73/1073162373.db2.gz KIKKOVVLFSDGDZ-BEXDPUPVSA-N 0 0 523.079 6.628 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409255628 1073166717 /nfs/dbraw/zinc/16/67/17/1073166717.db2.gz ZFYJSLLSPLHNAI-QQXSKIMKSA-N 0 0 567.132 7.033 40 10 KKCBRN Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000409254614 1073171783 /nfs/dbraw/zinc/17/17/83/1073171783.db2.gz FEFICAVUNQYQTH-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409254628 1073171788 /nfs/dbraw/zinc/17/17/88/1073171788.db2.gz DYCMLSADZVGYSM-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2Cl)c(C)c1 ZINC000409254663 1073172042 /nfs/dbraw/zinc/17/20/42/1073172042.db2.gz JCECMRXBRQRFFS-AIRTYWKNSA-N 0 0 517.072 5.355 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1 ZINC000409254662 1073172440 /nfs/dbraw/zinc/17/24/40/1073172440.db2.gz ZWDORTOHEMFSHI-XKZIYDEJSA-N 0 0 513.015 6.211 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409254671 1073172451 /nfs/dbraw/zinc/17/24/51/1073172451.db2.gz XYYUBAYXLFKAEY-ZDLGFXPLSA-N 0 0 545.004 5.996 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409253083 1073182485 /nfs/dbraw/zinc/18/24/85/1073182485.db2.gz GAVHXJCAVFXNTI-OYKKKHCWSA-N 0 0 522.648 5.714 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409253111 1073182584 /nfs/dbraw/zinc/18/25/84/1073182584.db2.gz VWYQEMVVAFRECN-HAHDFKILSA-N 0 0 542.604 6.167 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409253095 1073182600 /nfs/dbraw/zinc/18/26/00/1073182600.db2.gz YQBYHVZPCHOTTK-PKFJFBDISA-N 0 0 567.132 7.027 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409253031 1073183921 /nfs/dbraw/zinc/18/39/21/1073183921.db2.gz AMPDCWRNQFPWPS-QRAWFLTRSA-N 0 0 547.098 5.445 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409251918 1073189974 /nfs/dbraw/zinc/18/99/74/1073189974.db2.gz RCGWDWDWIGZZMB-ZDLGFXPLSA-N 0 0 586.448 5.066 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409251840 1073191020 /nfs/dbraw/zinc/19/10/20/1073191020.db2.gz WPFZFGWZRDFHKT-IWIPYMOSSA-N 0 0 572.630 6.836 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409251487 1073192664 /nfs/dbraw/zinc/19/26/64/1073192664.db2.gz QSPMAGBEDPTBKM-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409257307 1073193472 /nfs/dbraw/zinc/19/34/72/1073193472.db2.gz OACVCNILJMUDJO-BHGWPJFGSA-N 0 0 638.495 7.511 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409262553 1073193956 /nfs/dbraw/zinc/19/39/56/1073193956.db2.gz ISPGHOLIFRLCSS-UQQQWYQISA-N 0 0 536.650 5.686 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1 ZINC000409262918 1073195268 /nfs/dbraw/zinc/19/52/68/1073195268.db2.gz JMHZTDGNTSWKON-UQQQWYQISA-N 0 0 533.675 5.575 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409262909 1073195292 /nfs/dbraw/zinc/19/52/92/1073195292.db2.gz JLOHLNJPJOBXPQ-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002594144 1073200541 /nfs/dbraw/zinc/20/05/41/1073200541.db2.gz QXSZVQWJAORQKV-OEAKJJBVSA-N 0 0 504.036 6.672 40 10 KKCBRN O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002591372 1073200569 /nfs/dbraw/zinc/20/05/69/1073200569.db2.gz HEDDHULCFLXZQI-OVVQPSECSA-N 0 0 557.075 6.074 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 ZINC000409266563 1073200594 /nfs/dbraw/zinc/20/05/94/1073200594.db2.gz ZZTWVGXUUGFVIP-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1C ZINC000409266639 1073201086 /nfs/dbraw/zinc/20/10/86/1073201086.db2.gz QQPSHCGLVBGITD-UCQKPKSFSA-N 0 0 542.604 6.746 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)N1CCCC1 ZINC000409266382 1073201525 /nfs/dbraw/zinc/20/15/25/1073201525.db2.gz WINCQGBWAYTNLT-BWAHOGKJSA-N 0 0 516.644 5.886 40 10 KKCBRN Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3ccc(Cl)cc3)C1=N2 ZINC000006150403 1073202241 /nfs/dbraw/zinc/20/22/41/1073202241.db2.gz GRNBJRXRCLZMEU-MHZLTWQESA-N 0 0 610.903 7.493 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000409266140 1073203678 /nfs/dbraw/zinc/20/36/78/1073203678.db2.gz JXMBBXYKVLBFBY-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409266172 1073204052 /nfs/dbraw/zinc/20/40/52/1073204052.db2.gz PAVGXVBAYIIELS-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409265901 1073205202 /nfs/dbraw/zinc/20/52/02/1073205202.db2.gz UWZBIBCHJQRUAX-UHFFFAOYSA-N 0 0 715.544 6.908 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409265746 1073206120 /nfs/dbraw/zinc/20/61/20/1073206120.db2.gz OLBXKAMYAFEYOL-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409265114 1073208330 /nfs/dbraw/zinc/20/83/30/1073208330.db2.gz NSNOZUWFFPRMTH-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4Cl)c3)SC2=S)cc1 ZINC000409264945 1073209225 /nfs/dbraw/zinc/20/92/25/1073209225.db2.gz LWEDPQNGZWYLRY-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409265022 1073209615 /nfs/dbraw/zinc/20/96/15/1073209615.db2.gz NHJIFCNOGGBDOZ-OYKKKHCWSA-N 0 0 536.675 6.022 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)SC2=S)cc1 ZINC000409264732 1073211314 /nfs/dbraw/zinc/21/13/14/1073211314.db2.gz RPWBFOOKGMQRTL-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409264579 1073212027 /nfs/dbraw/zinc/21/20/27/1073212027.db2.gz LBJMZYILWYUZTE-WQRHYEAKSA-N 0 0 539.448 5.226 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409264565 1073212050 /nfs/dbraw/zinc/21/20/50/1073212050.db2.gz MGRKPUKGTZSSFD-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S ZINC000409264136 1073214410 /nfs/dbraw/zinc/21/44/10/1073214410.db2.gz PBEXOGLTXXGSPP-OCKHKDLRSA-N 0 0 511.452 5.249 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409264021 1073215445 /nfs/dbraw/zinc/21/54/45/1073215445.db2.gz JERYPWVEANDPNC-WKRCLWGVSA-N 0 0 522.570 5.103 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)SC2=S)cc1 ZINC000409263767 1073215900 /nfs/dbraw/zinc/21/59/00/1073215900.db2.gz ODPRINNGSOXQLM-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409263600 1073216691 /nfs/dbraw/zinc/21/66/91/1073216691.db2.gz IDUZPABGXXVTCT-UHFFFAOYSA-N 0 0 723.805 7.774 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409263613 1073216703 /nfs/dbraw/zinc/21/67/03/1073216703.db2.gz IKMRQDKEWZHEOU-WFSKJOQISA-N 0 0 532.687 6.374 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409263456 1073217374 /nfs/dbraw/zinc/21/73/74/1073217374.db2.gz KYKATCXZLYKEBN-OYKKKHCWSA-N 0 0 538.094 6.138 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3)SC2=S)c(C)c1 ZINC000409263523 1073217671 /nfs/dbraw/zinc/21/76/71/1073217671.db2.gz LMHLCRCHVHGFNT-MYYYXRDXSA-N 0 0 516.688 6.652 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000409263306 1073218222 /nfs/dbraw/zinc/21/82/22/1073218222.db2.gz KIUWTPVORDVPMF-ONUIUJJFSA-N 0 0 548.686 5.585 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1C ZINC000409263164 1073218841 /nfs/dbraw/zinc/21/88/41/1073218841.db2.gz HSTIUVOJRLVFNX-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409263274 1073219257 /nfs/dbraw/zinc/21/92/57/1073219257.db2.gz KHEACOXZSXCXAJ-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)SC2=S)cc1 ZINC000409262397 1073222677 /nfs/dbraw/zinc/22/26/77/1073222677.db2.gz IJQZDXDWXZYTQX-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409262095 1073224226 /nfs/dbraw/zinc/22/42/26/1073224226.db2.gz CPZDCTLASVPKOG-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C ZINC000409261934 1073224855 /nfs/dbraw/zinc/22/48/55/1073224855.db2.gz GAWGPKWWBYFIJL-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)SC1=S ZINC000409261227 1073229201 /nfs/dbraw/zinc/22/92/01/1073229201.db2.gz BBZQDVADIOYYIB-UWVJOHFNSA-N 0 0 511.452 5.631 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409260570 1073232707 /nfs/dbraw/zinc/23/27/07/1073232707.db2.gz SHSFASORXGUBBR-FMCGGJTJSA-N 0 0 543.497 6.455 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c(C)c1 ZINC000409260111 1073235438 /nfs/dbraw/zinc/23/54/38/1073235438.db2.gz KYBWNAKDOWASPG-XYGWBWBKSA-N 0 0 517.676 5.793 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409259656 1073237874 /nfs/dbraw/zinc/23/78/74/1073237874.db2.gz CAVBVYRYQXHWHR-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409259501 1073240142 /nfs/dbraw/zinc/24/01/42/1073240142.db2.gz ZTZTWUPVRLRDOY-UVHMKAGCSA-N 0 0 614.507 7.246 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccccc1 ZINC000409259142 1073241504 /nfs/dbraw/zinc/24/15/04/1073241504.db2.gz WVOSAKJCGMDCFC-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409258933 1073242360 /nfs/dbraw/zinc/24/23/60/1073242360.db2.gz WNZXHDHUNQAOJL-JAIQZWGSSA-N 0 0 549.457 6.014 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1 ZINC000409258660 1073243731 /nfs/dbraw/zinc/24/37/31/1073243731.db2.gz YOFZQWJPECQZJB-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258251 1073246792 /nfs/dbraw/zinc/24/67/92/1073246792.db2.gz XHLXPRNJYVIKCM-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409258301 1073247224 /nfs/dbraw/zinc/24/72/24/1073247224.db2.gz WAALHXLQQFTCGA-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409257900 1073248462 /nfs/dbraw/zinc/24/84/62/1073248462.db2.gz UHLSKKPLIFYZLJ-YOBACFSGSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409257870 1073250051 /nfs/dbraw/zinc/25/00/51/1073250051.db2.gz RCUAMORYJIRRNS-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)c(C)c1 ZINC000409257659 1073250476 /nfs/dbraw/zinc/25/04/76/1073250476.db2.gz TZLHEXCXDWWIPX-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2Cl)cc1 ZINC000409257495 1073250849 /nfs/dbraw/zinc/25/08/49/1073250849.db2.gz RVIBSMQYPXHXNK-MYYYXRDXSA-N 0 0 537.106 6.943 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409257314 1073251725 /nfs/dbraw/zinc/25/17/25/1073251725.db2.gz SCFHZYDQOXMSSX-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccccc1 ZINC000409257320 1073251787 /nfs/dbraw/zinc/25/17/87/1073251787.db2.gz OAZVKARBUFXIHK-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409257359 1073252146 /nfs/dbraw/zinc/25/21/46/1073252146.db2.gz SHIPMSSHVDSMJF-UUYOSTAYSA-N 0 0 543.066 5.977 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S ZINC000409271802 1073260004 /nfs/dbraw/zinc/26/00/04/1073260004.db2.gz NGKHYBNYZYDLGM-PGECNJAHSA-N 0 0 542.604 6.685 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409271794 1073260011 /nfs/dbraw/zinc/26/00/11/1073260011.db2.gz NEZXIXJBHUPAJQ-QQXSKIMKSA-N 0 0 547.702 5.801 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409271815 1073260023 /nfs/dbraw/zinc/26/00/23/1073260023.db2.gz NKLUWQPUYRQIKV-OLRBPVQESA-N 0 0 547.098 5.445 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1Cl ZINC000409271908 1073261176 /nfs/dbraw/zinc/26/11/76/1073261176.db2.gz FAEODXFLTBSZTO-SSDVNMTOSA-N 0 0 530.433 6.085 40 10 KKCBRN O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409271746 1073262262 /nfs/dbraw/zinc/26/22/62/1073262262.db2.gz MOJVUBSNHKYHDN-UHFFFAOYSA-N 0 0 675.333 6.813 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409271513 1073262281 /nfs/dbraw/zinc/26/22/81/1073262281.db2.gz LVICYPRIUVUMSW-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409270117 1073272533 /nfs/dbraw/zinc/27/25/33/1073272533.db2.gz CJNJHRUHJKTKLT-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c(C)c1 ZINC000409269893 1073273372 /nfs/dbraw/zinc/27/33/72/1073273372.db2.gz ASZDIAZUSJNHPR-CFRMEGHHSA-N 0 0 537.106 6.997 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000409269971 1073273789 /nfs/dbraw/zinc/27/37/89/1073273789.db2.gz MWDVKGVILATOCI-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409268595 1073282924 /nfs/dbraw/zinc/28/29/24/1073282924.db2.gz WIDYBZBJXHAGCM-ZMFRSBBQSA-N 0 0 710.421 7.698 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409268326 1073284749 /nfs/dbraw/zinc/28/47/49/1073284749.db2.gz SFQSVCQQBKYVDP-UQQQWYQISA-N 0 0 518.660 5.465 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409267833 1073286998 /nfs/dbraw/zinc/28/69/98/1073286998.db2.gz PFKICKFLKGFOOM-UCQKPKSFSA-N 0 0 522.648 5.714 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409267716 1073287799 /nfs/dbraw/zinc/28/77/99/1073287799.db2.gz VZVFLXOSAOCFCQ-UHFFFAOYSA-N 0 0 654.517 6.675 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)SC2=S)cc1 ZINC000409267387 1073290636 /nfs/dbraw/zinc/29/06/36/1073290636.db2.gz UIRUTDLHMLCBHM-MYYYXRDXSA-N 0 0 537.106 6.943 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1Br ZINC000409273838 1073317021 /nfs/dbraw/zinc/31/70/21/1073317021.db2.gz LWIQBKQGMHGRCX-BKUYFWCQSA-N 0 0 510.413 5.343 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409273625 1073318498 /nfs/dbraw/zinc/31/84/98/1073318498.db2.gz ZOQLDCLFSJMAPD-ZPZBNPFISA-N 0 0 540.707 5.408 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409273624 1073318594 /nfs/dbraw/zinc/31/85/94/1073318594.db2.gz ZOQLDCLFSJMAPD-ZJVWCJDDSA-N 0 0 540.707 5.408 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1C ZINC000409273147 1073335155 /nfs/dbraw/zinc/33/51/55/1073335155.db2.gz VVOKBADQIMVHID-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 ZINC000059418169 193897554 /nfs/dbraw/zinc/89/75/54/193897554.db2.gz TZRBAZUCWGFENX-LPYMAVHISA-N 0 0 514.441 6.569 40 10 KKCBRN Cc1cc([N+](=O)[N-]c2ccc(N=Nc3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100369093 193905218 /nfs/dbraw/zinc/90/52/18/193905218.db2.gz AVUIPABGYIFKBE-LYGTVBKESA-N 0 0 524.588 11.167 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224515473 193956874 /nfs/dbraw/zinc/95/68/74/193956874.db2.gz UKRVKKGDBTWBPK-CLJLJLNGSA-N 0 0 561.505 6.215 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225539818 193972445 /nfs/dbraw/zinc/97/24/45/193972445.db2.gz IWZRXSGLSCXVQJ-FQLXRVMXSA-N 0 0 553.688 5.277 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409383308 195517935 /nfs/dbraw/zinc/51/79/35/195517935.db2.gz VYCDZFGKCMUUER-MNBJERMJSA-N 0 0 595.696 6.433 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409050689 195500466 /nfs/dbraw/zinc/50/04/66/195500466.db2.gz YNPNVEXINMTIHK-UHFFFAOYSA-N 0 0 561.594 5.686 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409051672 195502612 /nfs/dbraw/zinc/50/26/12/195502612.db2.gz BGPVESBSIMWGHE-CLNXTWJPSA-N 0 0 600.140 5.198 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=S)cc1 ZINC000409230934 195505733 /nfs/dbraw/zinc/50/57/33/195505733.db2.gz AEAODCYSFMHUBP-CFRMEGHHSA-N 0 0 573.523 6.988 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409231606 195507847 /nfs/dbraw/zinc/50/78/47/195507847.db2.gz KHJGCAGHXVXVCW-SAHIIKMKSA-N 0 0 586.657 7.084 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409232465 195510059 /nfs/dbraw/zinc/51/00/59/195510059.db2.gz IEEYUTIBKDOGDU-MTJSOVHGSA-N 0 0 563.539 6.092 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000000844575 551548073 /nfs/dbraw/zinc/54/80/73/551548073.db2.gz QDROOGSYBLGICH-FSSWDIPSSA-N 0 0 550.792 5.106 40 10 KKCBRN Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)c1 ZINC000000920548 551574297 /nfs/dbraw/zinc/57/42/97/551574297.db2.gz WGDBVUVJPKTPFE-UHFFFAOYSA-N 0 0 516.642 6.292 40 10 KKCBRN Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)C(=O)c1c(c(-c3ccccc3)n(C)c1-c1ccccc1)C2=O ZINC000001557247 551684233 /nfs/dbraw/zinc/68/42/33/551684233.db2.gz YEYUMHCSKYRYJB-UHFFFAOYSA-N 0 0 518.616 7.807 40 10 KKCBRN COc1cc(/C=C2\N=C(c3ccccc3)N(n3c(=O)c4ccccc4nc3-c3ccccc3)C2=O)cc(OC)c1OC ZINC000001635957 551687064 /nfs/dbraw/zinc/68/70/64/551687064.db2.gz CPANPPPTWOKTNI-ITYLOYPMSA-N 0 0 558.594 5.055 40 10 KKCBRN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001869120 551719072 /nfs/dbraw/zinc/71/90/72/551719072.db2.gz BZJICKCLYNNFRN-VTLMBFNKSA-N 0 0 561.675 6.077 40 10 KKCBRN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000001898782 551729578 /nfs/dbraw/zinc/72/95/78/551729578.db2.gz RJBUIIFGEYJNTE-VXLYETTFSA-N 0 0 513.899 6.829 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000002259399 551803732 /nfs/dbraw/zinc/80/37/32/551803732.db2.gz GVWJNEOJIHKVKX-OZNIXHKMSA-N 0 0 521.613 5.752 40 10 KKCBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002566541 552129995 /nfs/dbraw/zinc/12/99/95/552129995.db2.gz YXNMFNAUZMYQMA-MARCSBOFSA-N 0 0 559.879 9.719 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000002590052 552132122 /nfs/dbraw/zinc/13/21/22/552132122.db2.gz YDYHRBAJFZULDI-YKILCQELSA-N 0 0 589.619 6.168 40 10 KKCBRN Cc1cc(C(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002639821 552142669 /nfs/dbraw/zinc/14/26/69/552142669.db2.gz SXBSGCFPVCFCPN-WANOEJIPSA-N 0 0 550.440 6.545 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000004119483 552439178 /nfs/dbraw/zinc/43/91/78/552439178.db2.gz LICBSFIRLFZRKJ-HKBOAZHASA-N 0 0 560.311 5.707 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000004131831 552442317 /nfs/dbraw/zinc/44/23/17/552442317.db2.gz SVTOWKUKWKAKSV-PVHODMMVSA-N 0 0 549.966 5.827 40 10 KKCBRN O=C1C=CC(=NNc2ccc(Br)cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(Br)cc2)=C1 ZINC000004266106 552454842 /nfs/dbraw/zinc/45/48/42/552454842.db2.gz JUUDOIBHBBFUAA-OBJDXWDNSA-N 0 0 580.240 9.869 40 10 KKCBRN O=C(Nc1cccc2c1C(=O)c1ccc(Nc3cccc4c3C(=O)c3cccc(NC(=O)c5ccccc5)c3C4=O)cc1C2=O)c1ccccc1 ZINC000004522767 552462678 /nfs/dbraw/zinc/46/26/78/552462678.db2.gz LAIIMRDVZOSBJJ-UHFFFAOYSA-N 0 0 667.677 7.486 40 10 KKCBRN O=C(Oc1ccc(/N=N/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004552026 552466149 /nfs/dbraw/zinc/46/61/49/552466149.db2.gz CHBRYBRVDWCLDJ-BYYHNAKLSA-N 0 0 512.434 6.357 40 10 KKCBRN c1ccc(/N=N/[C@@]2(c3ccccc3)CC(c3ccccc3)=NN(c3ccccc3)[C@H]2NNc2ccccc2)cc1 ZINC000005103227 552493712 /nfs/dbraw/zinc/49/37/12/552493712.db2.gz RAUZXBDYXHNGNW-OWKMICRVSA-N 0 0 522.656 7.923 40 10 KKCBRN O=C(c1ccncc1)n1nc(-c2ccccc2)c(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)c1-c1ccccc1 ZINC000005554166 552504836 /nfs/dbraw/zinc/50/48/36/552504836.db2.gz UNITWUMZTHLZEX-QNEJGDQOSA-N 0 0 531.557 7.234 40 10 KKCBRN CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000005832945 552510284 /nfs/dbraw/zinc/51/02/84/552510284.db2.gz GBUUMLWMJWBECT-ULDVOPSXSA-N 0 0 564.045 8.354 40 10 KKCBRN CC[C@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134585 552537987 /nfs/dbraw/zinc/53/79/87/552537987.db2.gz XMGDKMAHOQSAMV-BNHRFMORSA-N 0 0 582.749 5.471 40 10 KKCBRN O=c1c2ccccc2c(=O)c2c1cc(Br)c1[nH]c3c([nH]c12)c(Br)cc1c(=O)c2ccccc2c(=O)c13 ZINC000006475070 552593313 /nfs/dbraw/zinc/59/33/13/552593313.db2.gz HOFLUEMCQWVHTJ-UHFFFAOYSA-N 0 0 600.222 5.666 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006475309 552593329 /nfs/dbraw/zinc/59/33/29/552593329.db2.gz XPMQSZXZTMMBMR-OARDWFSCSA-N 0 0 506.518 6.735 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000006905762 552977641 /nfs/dbraw/zinc/97/76/41/552977641.db2.gz MYEUAWWYUQGDMW-RIYZIHGNSA-N 0 0 579.222 5.310 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000008454095 553067626 /nfs/dbraw/zinc/06/76/26/553067626.db2.gz LQQIXQDMWOHGAZ-DFIYOIEZSA-N 0 0 530.568 6.350 40 10 KKCBRN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000008741361 553132815 /nfs/dbraw/zinc/13/28/15/553132815.db2.gz ROFWOMKXJBZKPM-RLSLOFABSA-N 0 0 504.380 6.281 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000008765609 553138154 /nfs/dbraw/zinc/13/81/54/553138154.db2.gz OTXIMPLUKDHBID-BKUYFWCQSA-N 0 0 509.678 5.281 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008819867 553154683 /nfs/dbraw/zinc/15/46/83/553154683.db2.gz SGNGDIOOKVNGJQ-QOMWVZHYSA-N 0 0 516.688 6.763 40 10 KKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000008821391 553155884 /nfs/dbraw/zinc/15/58/84/553155884.db2.gz RKBVCBOQIOVGEC-ONUIUJJFSA-N 0 0 524.107 7.676 40 10 KKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)S2)cc1 ZINC000008821797 553156013 /nfs/dbraw/zinc/15/60/13/553156013.db2.gz VZCAVHLOJNEFBE-IMRQLAEWSA-N 0 0 521.082 7.743 40 10 KKCBRN CCOc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821794 553156014 /nfs/dbraw/zinc/15/60/14/553156014.db2.gz ZBVYFDPXZIXCTA-MYYYXRDXSA-N 0 0 522.026 6.359 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821832 553156042 /nfs/dbraw/zinc/15/60/42/553156042.db2.gz GWYXUUXOHWLWCA-HYARGMPZSA-N 0 0 502.398 6.185 40 10 KKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1 ZINC000008821782 553156067 /nfs/dbraw/zinc/15/60/67/553156067.db2.gz DDNJVUCPRTXYJG-ONUIUJJFSA-N 0 0 507.055 7.353 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)c(OCC)c3)C2=N)S1 ZINC000008984194 553196256 /nfs/dbraw/zinc/19/62/56/553196256.db2.gz NJNRPCHVXUEBJB-WZOBNIDESA-N 0 0 520.655 5.833 40 10 KKCBRN O=C(c1ccccc1Cl)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000009089710 553209352 /nfs/dbraw/zinc/20/93/52/553209352.db2.gz XUAABGAZQBLBNO-MPFGFTFXSA-N 0 0 515.996 6.656 40 10 KKCBRN CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000009109259 553209956 /nfs/dbraw/zinc/20/99/56/553209956.db2.gz HACUPTYMKASUIM-NXCFDTQHSA-N 0 0 512.403 5.780 40 10 KKCBRN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccccc2F)[C@@H]1C(=O)c1ccccc1 ZINC000009111173 553210310 /nfs/dbraw/zinc/21/03/10/553210310.db2.gz XYBWKYZIKQIYAG-IDZRBWSNSA-N 0 0 513.568 6.450 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009187881 553218044 /nfs/dbraw/zinc/21/80/44/553218044.db2.gz XCRPPCHEPRWVGZ-BRPDVVIDSA-N 0 0 512.675 6.508 40 10 KKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000009189241 553218309 /nfs/dbraw/zinc/21/83/09/553218309.db2.gz QFSKEVFAYSGSRH-ONUIUJJFSA-N 0 0 504.055 6.020 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000009553543 553278519 /nfs/dbraw/zinc/27/85/19/553278519.db2.gz GZRNJOVGVYINEK-PERRAXLGSA-N 0 0 513.019 5.452 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(Cl)c2)cc1 ZINC000010113128 553328766 /nfs/dbraw/zinc/32/87/66/553328766.db2.gz FNILNURAIKCCAC-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000010113119 553328787 /nfs/dbraw/zinc/32/87/87/553328787.db2.gz ISECVTAHZMVAJX-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000010113531 553329308 /nfs/dbraw/zinc/32/93/08/553329308.db2.gz KCWXARAIQHLNAP-UHFFFAOYSA-N 0 0 518.466 5.105 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000010113549 553329326 /nfs/dbraw/zinc/32/93/26/553329326.db2.gz HYYVLDXJQUQINZ-UHFFFAOYSA-N 0 0 512.075 5.069 40 10 KKCBRN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012565676 553396809 /nfs/dbraw/zinc/39/68/09/553396809.db2.gz YLSVOGJKFIPBEU-QNEJGDQOSA-N 0 0 504.502 5.698 40 10 KKCBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccccc1Cl ZINC000013025047 553435339 /nfs/dbraw/zinc/43/53/39/553435339.db2.gz RVGQUQJLDXPXCY-AREMUKBSSA-N 0 0 508.018 5.217 40 10 KKCBRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000013612187 553477831 /nfs/dbraw/zinc/47/78/31/553477831.db2.gz YTTSNTUIZJGSJR-UHFFFAOYSA-N 0 0 518.466 5.105 40 10 KKCBRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000013670020 553481494 /nfs/dbraw/zinc/48/14/94/553481494.db2.gz JTMMCDBPYJHYKS-UHFFFAOYSA-N 0 0 518.466 5.105 40 10 KKCBRN CN(C)c1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1Br ZINC000015229720 553529680 /nfs/dbraw/zinc/52/96/80/553529680.db2.gz YOUUNQRJMHWLHT-IQGAPNPZSA-N 0 0 500.447 5.025 40 10 KKCBRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1 ZINC000016639200 553570744 /nfs/dbraw/zinc/57/07/44/553570744.db2.gz MQDCKOUDKKQZCB-UHFFFAOYSA-N 0 0 516.667 6.647 40 10 KKCBRN C[C@H]1CCCN(/N=N/c2ccc(Br)cc2-c2nc(N)c3cc(Br)ccc3n2)C1 ZINC000017995707 553601489 /nfs/dbraw/zinc/60/14/89/553601489.db2.gz XESZMXUGOFDXFO-FZMQBDARSA-N 0 0 504.230 6.135 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@@H]2C1=O ZINC000018068973 553603418 /nfs/dbraw/zinc/60/34/18/553603418.db2.gz SWMUVSSUYHLGER-FSSWDIPSSA-N 0 0 513.775 5.168 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)cc1 ZINC000018250081 553611345 /nfs/dbraw/zinc/61/13/45/553611345.db2.gz BAXZIKYVNBJHQJ-HZFUHODCSA-N 0 0 515.565 5.658 40 10 KKCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000020288848 553633769 /nfs/dbraw/zinc/63/37/69/553633769.db2.gz PRXAEQSRQYQWRU-ONUIUJJFSA-N 0 0 513.529 5.081 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000083259444 553676317 /nfs/dbraw/zinc/67/63/17/553676317.db2.gz AGVXAMYMCALOEM-IUXPMGMMSA-N 0 0 503.270 6.556 40 10 KKCBRN COc1ccc(C2=NN(C(=O)c3cc4cc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@H](c3ccccc3O)C2)cc1OC ZINC000097948997 553798439 /nfs/dbraw/zinc/79/84/39/553798439.db2.gz KTDNKPXVOAQUHZ-QFIPXVFZSA-N 0 0 627.044 7.449 40 10 KKCBRN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Br)s2)C[C@@H]1c1cc(Br)ccc1O ZINC000097949289 553801121 /nfs/dbraw/zinc/80/11/21/553801121.db2.gz JJDBMENZTHNGMG-MRXNPFEDSA-N 0 0 731.801 8.414 40 10 KKCBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000097950321 553803977 /nfs/dbraw/zinc/80/39/77/553803977.db2.gz UWNISXSIGOHIFQ-CIHWWBAASA-N 0 0 547.724 8.010 40 10 KKCBRN COc1ccc(S(=O)(=O)Nc2cc(C)c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000026786849 553821247 /nfs/dbraw/zinc/82/12/47/553821247.db2.gz PMLBBFDXLGWIJG-UHFFFAOYSA-N 0 0 510.033 5.120 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097957868 553849003 /nfs/dbraw/zinc/84/90/03/553849003.db2.gz HGMVGSMYSYSXON-POMLAKLWSA-N 0 0 658.562 6.834 40 10 KKCBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OCCOc5ccc(Br)cc5)cc4)C3=N)S2)cc1 ZINC000097958703 553857074 /nfs/dbraw/zinc/85/70/74/553857074.db2.gz WLLFGRIVUYMSKR-VFDRKWOZSA-N 0 0 561.461 5.883 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000097958882 553858750 /nfs/dbraw/zinc/85/87/50/553858750.db2.gz RCUZNBQSYPICDX-MITIOZTFSA-N 0 0 569.525 6.624 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCCOc1cccc(OC)c1 ZINC000097958944 553859054 /nfs/dbraw/zinc/85/90/54/553859054.db2.gz OBBAIQJEOFRXNW-MOSHPQCFSA-N 0 0 538.485 5.535 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc([C@H](C)CC)cc4)c(OCC)c3)C2=N)S1 ZINC000097958921 553859071 /nfs/dbraw/zinc/85/90/71/553859071.db2.gz NHAGZUWEQCPCAK-IQSWDKPESA-N 0 0 534.682 6.476 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097959046 553860028 /nfs/dbraw/zinc/86/00/28/553860028.db2.gz HHNAKSHDNWDFSI-STZFKDTASA-N 0 0 532.064 5.831 40 10 KKCBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cc(Cl)c(OCCOc5ccc(C)c(C)c5)c(Cl)c4)C3=N)S2)cc1 ZINC000097959167 553861440 /nfs/dbraw/zinc/86/14/40/553861440.db2.gz TUXTYFKMLKOEDR-JFQHJQAXSA-N 0 0 579.509 7.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000097959235 553861964 /nfs/dbraw/zinc/86/19/64/553861964.db2.gz FFEFLNYTTDCJFV-XKZIYDEJSA-N 0 0 607.922 6.934 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000032109370 553862874 /nfs/dbraw/zinc/86/28/74/553862874.db2.gz DGVIBTJINRJUMY-GGLRMMABSA-N 0 0 512.591 5.129 40 10 KKCBRN Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)ccc1Cl ZINC000032109547 553863159 /nfs/dbraw/zinc/86/31/59/553863159.db2.gz DEHYFJGCSMHYOE-XWPWKJMHSA-N 0 0 508.909 5.288 40 10 KKCBRN COc1cccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)c1 ZINC000032109550 553863287 /nfs/dbraw/zinc/86/32/87/553863287.db2.gz NNRIMDBTGPYKOL-RWIUGCMHSA-N 0 0 512.591 5.129 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000032124934 553865960 /nfs/dbraw/zinc/86/59/60/553865960.db2.gz KTMIRAGJQRVAOC-LPYMAVHISA-N 0 0 513.065 7.422 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124871 553865977 /nfs/dbraw/zinc/86/59/77/553865977.db2.gz OYJVMWLNOHBMFR-HAHDFKILSA-N 0 0 507.662 6.526 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000097960487 553871984 /nfs/dbraw/zinc/87/19/84/553871984.db2.gz SZHOIQKBLFLKSG-ZLXCYOFBSA-N 0 0 518.352 5.029 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000097961907 553881322 /nfs/dbraw/zinc/88/13/22/553881322.db2.gz GMNQMAMJXUFMFJ-XBMBLCIESA-N 0 0 556.644 5.446 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4c(-c5ccccc5)nc5sc(C6CC6)nn45)C3=N)S2)c1 ZINC000097964285 553896879 /nfs/dbraw/zinc/89/68/79/553896879.db2.gz YDUHTPTVRJPLMY-VOKATDEVSA-N 0 0 539.646 5.342 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C56CC7CC(CC(C7)C5)C6)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000097964326 553897197 /nfs/dbraw/zinc/89/71/97/553897197.db2.gz SREYBMNYDDBKDG-UEVSDXPZSA-N 0 0 531.594 5.699 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 ZINC000097964313 553897209 /nfs/dbraw/zinc/89/72/09/553897209.db2.gz KDZXLRHRXAVANG-CTSHNSPASA-N 0 0 530.572 6.229 40 10 KKCBRN CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000097964316 553897221 /nfs/dbraw/zinc/89/72/21/553897221.db2.gz RMRRILIUFONPHJ-RSRBTFILSA-N 0 0 536.963 5.850 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)cc1 ZINC000097964512 553898962 /nfs/dbraw/zinc/89/89/62/553898962.db2.gz YFMFIVYLEWXHMM-KXOBTPQKSA-N 0 0 590.727 6.404 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000097964670 553899716 /nfs/dbraw/zinc/89/97/16/553899716.db2.gz VRNGPJZSINBINZ-PEYOBPGZSA-N 0 0 588.471 5.997 40 10 KKCBRN Cc1cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000097979474 553979754 /nfs/dbraw/zinc/97/97/54/553979754.db2.gz LGSJGPIXXYPYGY-JEIPZWNWSA-N 0 0 546.574 7.217 40 10 KKCBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999467 554043164 /nfs/dbraw/zinc/04/31/64/554043164.db2.gz GYWXPURVSNZRDM-VAUQXRHESA-N 0 0 610.864 10.250 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000098002628 554053700 /nfs/dbraw/zinc/05/37/00/554053700.db2.gz ZSHLXESIJVZZBW-CPEGRYNBSA-N 0 0 530.580 7.128 40 10 KKCBRN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000036080003 554174374 /nfs/dbraw/zinc/17/43/74/554174374.db2.gz MDQBIZLGMFTNEB-IJZWRPJLSA-N 0 0 526.772 5.903 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000100054604 554195610 /nfs/dbraw/zinc/19/56/10/554195610.db2.gz ZMAKRLPMZHFHGC-BUVRLJJBSA-N 0 0 617.428 8.478 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100095345 554215901 /nfs/dbraw/zinc/21/59/01/554215901.db2.gz LICBSFIRLFZRKJ-NJYVYQBISA-N 0 0 560.311 5.707 40 10 KKCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000036612668 554226061 /nfs/dbraw/zinc/22/60/61/554226061.db2.gz SNJBYOQDUSUYHR-YZSQISJMSA-N 0 0 511.578 5.304 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000100140559 554227519 /nfs/dbraw/zinc/22/75/19/554227519.db2.gz DXOSASBULDWQDD-PKAZHMFMSA-N 0 0 534.081 6.029 40 10 KKCBRN CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000100163495 554235577 /nfs/dbraw/zinc/23/55/77/554235577.db2.gz KNVYUTFICPHZIO-XKZIYDEJSA-N 0 0 538.381 6.559 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000100198634 554246415 /nfs/dbraw/zinc/24/64/15/554246415.db2.gz MCUKJGBVKBCWNZ-BKUYFWCQSA-N 0 0 561.466 6.253 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000100210254 554248850 /nfs/dbraw/zinc/24/88/50/554248850.db2.gz CPWGBCXBSWCDPN-ONUIUJJFSA-N 0 0 547.007 5.633 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1OCc1ccccc1 ZINC000100229977 554255548 /nfs/dbraw/zinc/25/55/48/554255548.db2.gz FHQCJZYTCGNOLF-KGENOOAVSA-N 0 0 570.281 6.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100231479 554256925 /nfs/dbraw/zinc/25/69/25/554256925.db2.gz LKVUMWFYEYHFFC-UCQKPKSFSA-N 0 0 574.949 7.482 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)SC2=S)cc1 ZINC000100241570 554260556 /nfs/dbraw/zinc/26/05/56/554260556.db2.gz SJPQIVCABNNOHG-MTDXEUNCSA-N 0 0 620.590 8.385 40 10 KKCBRN Cc1ccc(Sc2c3cc(Nc4cccc(C)c4)c4c(c3[nH]c2-c2ccccc2)C(=O)c2ccccc2C4=O)cc1 ZINC000100243951 554261075 /nfs/dbraw/zinc/26/10/75/554261075.db2.gz AALACCPRXGWPFW-UHFFFAOYSA-N 0 0 550.683 9.122 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100267065 554267473 /nfs/dbraw/zinc/26/74/73/554267473.db2.gz QBUXSCRSQWLXAQ-COMMJETJSA-N 0 0 541.073 6.349 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000038205986 554274394 /nfs/dbraw/zinc/27/43/94/554274394.db2.gz PPYDKIZFIZGCNA-ITYLOYPMSA-N 0 0 505.570 6.305 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000100288652 554281505 /nfs/dbraw/zinc/28/15/05/554281505.db2.gz GEZPGSQJNWGNDG-NSIKDUERSA-N 0 0 530.219 5.534 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000100288681 554281517 /nfs/dbraw/zinc/28/15/17/554281517.db2.gz KALSUXSPYNMARX-NVNXTCNLSA-N 0 0 593.249 5.306 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000040006366 554282161 /nfs/dbraw/zinc/28/21/61/554282161.db2.gz WBVMRVUFIOBJMB-HQOKVJKCSA-N 0 0 510.464 5.961 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S)c1ccc(Cl)cc1 ZINC000040940354 554291748 /nfs/dbraw/zinc/29/17/48/554291748.db2.gz VRIMPHBJFNXEBN-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN CCc1ccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000041077619 554292923 /nfs/dbraw/zinc/29/29/23/554292923.db2.gz UGPVURHKHAXISK-UYRXBGFRSA-N 0 0 508.459 5.309 40 10 KKCBRN CCCCCCOc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OCC)cc1 ZINC000041077630 554293025 /nfs/dbraw/zinc/29/30/25/554293025.db2.gz RPABKVIGPQBKLU-PLRJNAJWSA-N 0 0 515.697 6.333 40 10 KKCBRN COc1cccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c3ccccc32)c1 ZINC000041082965 554293994 /nfs/dbraw/zinc/29/39/94/554293994.db2.gz YBFOOBINRBNIEC-AQQGHWPGSA-N 0 0 515.639 5.703 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1C ZINC000041084216 554294438 /nfs/dbraw/zinc/29/44/38/554294438.db2.gz VPOYEYQGODMHBJ-CQEFFZBYSA-N 0 0 520.618 5.400 40 10 KKCBRN COc1cc(OC)c(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1Cl ZINC000041108519 554295458 /nfs/dbraw/zinc/29/54/58/554295458.db2.gz KBZPDIHQQHLDJE-HHUYIJHCSA-N 0 0 505.987 5.010 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000041108563 554295525 /nfs/dbraw/zinc/29/55/25/554295525.db2.gz ISEWIIMTUBWAIY-BDRDOBMZSA-N 0 0 526.727 7.635 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000100320011 554304483 /nfs/dbraw/zinc/30/44/83/554304483.db2.gz QPLSPEJDAMBQAJ-DJKKODMXSA-N 0 0 593.244 7.475 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100321304 554305832 /nfs/dbraw/zinc/30/58/32/554305832.db2.gz JMCRCQXSCXHWAV-FYJGNVAPSA-N 0 0 588.423 5.182 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100321292 554305851 /nfs/dbraw/zinc/30/58/51/554305851.db2.gz ZGLFKULJWGZYNE-FYJGNVAPSA-N 0 0 541.423 5.340 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100323283 554306909 /nfs/dbraw/zinc/30/69/09/554306909.db2.gz SHFYLQAMHHBRSY-CXUHLZMHSA-N 0 0 531.824 5.363 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100323647 554307583 /nfs/dbraw/zinc/30/75/83/554307583.db2.gz SWXCGUJUBKKDTJ-HMAPJEAMSA-N 0 0 526.477 6.438 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000100332902 554315426 /nfs/dbraw/zinc/31/54/26/554315426.db2.gz XTUYSNJCMFALRU-MGBGTMOVSA-N 0 0 566.702 5.724 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc3c(c2)OCO3)cc1 ZINC000100332817 554315440 /nfs/dbraw/zinc/31/54/40/554315440.db2.gz BKNXXMATFWEFAP-JGCGQSQUSA-N 0 0 552.675 5.729 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000049605400 554323981 /nfs/dbraw/zinc/32/39/81/554323981.db2.gz MHRTUQSKWZJHQM-PKTNWEFCSA-N 0 0 584.510 6.896 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)O2)cc1 ZINC000100340873 554325118 /nfs/dbraw/zinc/32/51/18/554325118.db2.gz BHIDOGMPSFNSFG-YBFXNURJSA-N 0 0 542.223 6.781 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100340683 554325142 /nfs/dbraw/zinc/32/51/42/554325142.db2.gz ZRIDYLCFUSWEKH-BUVRLJJBSA-N 0 0 559.540 7.443 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)O2)cc1 ZINC000100340910 554325443 /nfs/dbraw/zinc/32/54/43/554325443.db2.gz SAMLGIATNGBXNS-YBFXNURJSA-N 0 0 574.798 6.522 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000100353448 554332213 /nfs/dbraw/zinc/33/22/13/554332213.db2.gz ANPFDILTDUPBMD-ONUIUJJFSA-N 0 0 581.184 7.940 40 10 KKCBRN Cc1cc([N+](=O)[N-]c2ccc(N=Nc3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100369086 554355192 /nfs/dbraw/zinc/35/51/92/554355192.db2.gz AVUIPABGYIFKBE-OTCMPIHESA-N 0 0 524.588 11.167 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000100369966 554355855 /nfs/dbraw/zinc/35/58/55/554355855.db2.gz IUUQUFHJVYPDHO-PXLXIMEGSA-N 0 0 533.631 5.044 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000058822257 554365383 /nfs/dbraw/zinc/36/53/83/554365383.db2.gz YDEVMZCCDMUXEG-SRZZPIQSSA-N 0 0 515.824 7.431 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058846334 554365961 /nfs/dbraw/zinc/36/59/61/554365961.db2.gz GXOUNMSNZUASNS-UNVFRBQDSA-N 0 0 510.015 6.492 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058846871 554366330 /nfs/dbraw/zinc/36/63/30/554366330.db2.gz SFWZRJISYHRDNM-PVTPYKNESA-N 0 0 500.708 7.735 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846486 554366358 /nfs/dbraw/zinc/36/63/58/554366358.db2.gz MNBUHEUQDJNOFT-PFPZSTESSA-N 0 0 520.651 5.957 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846726 554366543 /nfs/dbraw/zinc/36/65/43/554366543.db2.gz VCPDMSRTOINYPP-NHWZYIIXSA-N 0 0 518.679 6.728 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847522 554366602 /nfs/dbraw/zinc/36/66/02/554366602.db2.gz OZOLBSHSQBIJFL-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847335 554366736 /nfs/dbraw/zinc/36/67/36/554366736.db2.gz JHKTWCHVGORODY-BALWLHIASA-N 0 0 525.070 6.765 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058846918 554366789 /nfs/dbraw/zinc/36/67/89/554366789.db2.gz FJNXJQLYGLYJTP-HEHLMWRFSA-N 0 0 508.643 6.990 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847409 554366806 /nfs/dbraw/zinc/36/68/06/554366806.db2.gz CUJNKNRXZQHVCZ-RHGYRFJNSA-N 0 0 505.854 7.274 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847660 554367007 /nfs/dbraw/zinc/36/70/07/554367007.db2.gz AUVRXDAZWOAECJ-QLODZENZSA-N 0 0 501.435 6.629 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847674 554367062 /nfs/dbraw/zinc/36/70/62/554367062.db2.gz BNHDNHAZONYBDP-OUDXUNEISA-N 0 0 515.462 7.019 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847861 554367329 /nfs/dbraw/zinc/36/73/29/554367329.db2.gz SFRHOSSUGQXRTG-SGIRGMQISA-N 0 0 501.435 6.629 40 10 KKCBRN Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848332 554367608 /nfs/dbraw/zinc/36/76/08/554367608.db2.gz RRNPUTZUJDHBBO-VRUMLPLGSA-N 0 0 509.469 6.693 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848382 554367663 /nfs/dbraw/zinc/36/76/63/554367663.db2.gz ULOVAUCDTKFETF-DFIYOIEZSA-N 0 0 500.542 6.341 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848236 554367742 /nfs/dbraw/zinc/36/77/42/554367742.db2.gz BUISFARAQOESNX-FYQCMVGJSA-N 0 0 511.043 6.293 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058848588 554368010 /nfs/dbraw/zinc/36/80/10/554368010.db2.gz YFGFNCQVOYRLBT-LZCXECNNSA-N 0 0 515.462 7.019 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)cc1 ZINC000058848626 554368033 /nfs/dbraw/zinc/36/80/33/554368033.db2.gz FGDBMWYFEACTMX-JWZKTCGFSA-N 0 0 506.624 5.730 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058848530 554368067 /nfs/dbraw/zinc/36/80/67/554368067.db2.gz PKMQQJJWNOOTID-CTVOUCONSA-N 0 0 520.651 6.120 40 10 KKCBRN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848424 554368144 /nfs/dbraw/zinc/36/81/44/554368144.db2.gz GKUZWZSONKNXIT-WZOHSFFVSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849010 554368245 /nfs/dbraw/zinc/36/82/45/554368245.db2.gz SISIHFNHRXYDRC-GNBJCERTSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058848921 554368260 /nfs/dbraw/zinc/36/82/60/554368260.db2.gz GYZJSMYBKWCVCJ-ATLLOTDBSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000058849002 554368381 /nfs/dbraw/zinc/36/83/81/554368381.db2.gz ORJWWIAVWUFZTG-ASHZAFPQSA-N 0 0 522.623 5.348 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)c1 ZINC000058848856 554368453 /nfs/dbraw/zinc/36/84/53/554368453.db2.gz LYMYWABKJKQBIO-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c(OC)c1 ZINC000058849334 554368789 /nfs/dbraw/zinc/36/87/89/554368789.db2.gz UNVAASNARFJGPJ-CTVOUCONSA-N 0 0 518.679 6.629 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849185 554368849 /nfs/dbraw/zinc/36/88/49/554368849.db2.gz JTCDKKHONMTVDE-CTVOUCONSA-N 0 0 502.680 7.010 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058849739 554369386 /nfs/dbraw/zinc/36/93/86/554369386.db2.gz HEXVEVKYCMFUHE-GNBJCERTSA-N 0 0 515.462 6.938 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058850009 554369511 /nfs/dbraw/zinc/36/95/11/554369511.db2.gz VORSIOGBUMBPCP-LZCXECNNSA-N 0 0 507.568 5.239 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850220 554369676 /nfs/dbraw/zinc/36/96/76/554369676.db2.gz PDOMPCVWKYNJDR-UZINWLIJSA-N 0 0 509.469 6.693 40 10 KKCBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850254 554369714 /nfs/dbraw/zinc/36/97/14/554369714.db2.gz VQGMKSGVAWZFTD-ATLLOTDBSA-N 0 0 503.426 7.068 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)c(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000058851399 554369966 /nfs/dbraw/zinc/36/99/66/554369966.db2.gz QYGUEYWRINLLTH-IMWIBFENSA-N 0 0 501.797 7.961 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000058903838 554371253 /nfs/dbraw/zinc/37/12/53/554371253.db2.gz YDMYMJMZOLZGEQ-JWGURIENSA-N 0 0 502.954 5.235 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100415360 554381611 /nfs/dbraw/zinc/38/16/11/554381611.db2.gz DAIRCXXVLNHQAV-SRZZPIQSSA-N 0 0 568.411 7.592 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000059138996 554382836 /nfs/dbraw/zinc/38/28/36/554382836.db2.gz DBNRPIHDHIQBSP-WPWMEQJKSA-N 0 0 509.993 6.639 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139063 554382856 /nfs/dbraw/zinc/38/28/56/554382856.db2.gz DPCDADBRTCNWKD-KOEQRZSOSA-N 0 0 507.502 6.055 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000059139018 554382831 /nfs/dbraw/zinc/38/28/31/554382831.db2.gz YLLDSZINTFSHGM-WPWMEQJKSA-N 0 0 524.020 6.948 40 10 KKCBRN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000059138993 554382893 /nfs/dbraw/zinc/38/28/93/554382893.db2.gz UIWBGIWJDNOBHI-ZTKZIYFRSA-N 0 0 503.602 6.548 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000059138998 554382921 /nfs/dbraw/zinc/38/29/21/554382921.db2.gz PHWOOJQRNHVACM-TURZUDJPSA-N 0 0 505.574 5.995 40 10 KKCBRN O=C1c2c(c(-c3ccc(Cl)cc3)n(-c3cccc4ccccc43)c2-c2ccccc2)C(=O)c2ccccc21 ZINC000059428063 554395532 /nfs/dbraw/zinc/39/55/32/554395532.db2.gz DTPXRVQMMYQVJH-UHFFFAOYSA-N 0 0 509.992 8.393 40 10 KKCBRN O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100478176 554401540 /nfs/dbraw/zinc/40/15/40/554401540.db2.gz HHRHYRARWHHJMA-LGUFXXKBSA-N 0 0 525.542 5.197 40 10 KKCBRN O=C(C(=O)c1ccc(N(c2ccccc2)c2ccccc2)s1)c1ccc(N(c2ccccc2)c2ccccc2)s1 ZINC000059608354 554410937 /nfs/dbraw/zinc/41/09/37/554410937.db2.gz DUHZLEVTWKUSKR-UHFFFAOYSA-N 0 0 556.712 9.815 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000059608988 554411859 /nfs/dbraw/zinc/41/18/59/554411859.db2.gz QGJKXZUBENUYDJ-QRQIAZFYSA-N 0 0 527.667 6.837 40 10 KKCBRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 ZINC000059690963 554425217 /nfs/dbraw/zinc/42/52/17/554425217.db2.gz FKHVGBQKJNNPDV-YEDDFTDXSA-N 0 0 535.625 6.384 40 10 KKCBRN Cc1c(Cl)cccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000100582324 554425459 /nfs/dbraw/zinc/42/54/59/554425459.db2.gz FJJFMPFEPYQPEJ-BHIFYINESA-N 0 0 550.792 5.106 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000100844367 554490879 /nfs/dbraw/zinc/49/08/79/554490879.db2.gz JPZBRJYAHVGSAX-XKZIYDEJSA-N 0 0 544.576 6.137 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 ZINC000100929786 554526177 /nfs/dbraw/zinc/52/61/77/554526177.db2.gz KVXAUGRAZLQMLM-YXHOTNNGSA-N 0 0 545.430 6.430 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000100956852 554539682 /nfs/dbraw/zinc/53/96/82/554539682.db2.gz RBVYKCZPKFPHSC-UHFFFAOYSA-N 0 0 605.281 5.174 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2cc(C(C(=O)c3ccccc3)C(=O)c3ccccc3)c(O)c3ccccc23)cc1 ZINC000100999530 554552059 /nfs/dbraw/zinc/55/20/59/554552059.db2.gz NABUYMHILPEHEW-UHFFFAOYSA-N 0 0 535.621 6.504 40 10 KKCBRN O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000101000268 554552240 /nfs/dbraw/zinc/55/22/40/554552240.db2.gz VFHKMBDSBVZESJ-VCHYOVAHSA-N 0 0 575.491 5.245 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101002303 554552665 /nfs/dbraw/zinc/55/26/65/554552665.db2.gz NQJVEPOTDCXRRY-XKZIYDEJSA-N 0 0 587.973 7.523 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101003344 554553361 /nfs/dbraw/zinc/55/33/61/554553361.db2.gz LNTFJJVXIVTLTM-XDHOZWIPSA-N 0 0 518.060 5.756 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101003347 554553377 /nfs/dbraw/zinc/55/33/77/554553377.db2.gz ZYJMGCFZHRAFAM-XDHOZWIPSA-N 0 0 518.060 5.756 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1OC ZINC000101005675 554553776 /nfs/dbraw/zinc/55/37/76/554553776.db2.gz DHJWGCQHOUAGQD-HAHDFKILSA-N 0 0 553.731 5.680 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101005979 554553990 /nfs/dbraw/zinc/55/39/90/554553990.db2.gz LDZJDBMQMAQIOH-STZFKDTASA-N 0 0 572.133 5.794 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000101006238 554554171 /nfs/dbraw/zinc/55/41/71/554554171.db2.gz HVEVTMWNIGQCMZ-IWIPYMOSSA-N 0 0 532.668 6.226 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Br)C2=O)cc1OC ZINC000101006807 554554333 /nfs/dbraw/zinc/55/43/33/554554333.db2.gz XFIPRICVKTUMBM-QNGOZBTKSA-N 0 0 549.512 5.867 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1OC ZINC000101006948 554554586 /nfs/dbraw/zinc/55/45/86/554554586.db2.gz ICDUMBGRSNUOPD-HFTWOUSFSA-N 0 0 560.741 6.699 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Br)c1 ZINC000101006988 554554813 /nfs/dbraw/zinc/55/48/13/554554813.db2.gz GHPPGVAIUOZMTO-NDENLUEZSA-N 0 0 533.469 5.578 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000101006980 554554821 /nfs/dbraw/zinc/55/48/21/554554821.db2.gz AROQNGSUGIYNHM-JAIQZWGSSA-N 0 0 523.463 6.122 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccc5c(c4)OCO5)SC3=S)s2)cc1 ZINC000101007029 554554824 /nfs/dbraw/zinc/55/48/24/554554824.db2.gz WJAAWAANCLNSDD-IWIPYMOSSA-N 0 0 565.742 6.171 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Br)C2=O)cc1 ZINC000101007119 554554970 /nfs/dbraw/zinc/55/49/70/554554970.db2.gz IDSVSTCMONJKJY-HKWRFOASSA-N 0 0 547.496 5.636 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101007168 554554989 /nfs/dbraw/zinc/55/49/89/554554989.db2.gz FSDGHPPWYRKDSX-HAHDFKILSA-N 0 0 600.187 6.574 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101007314 554555192 /nfs/dbraw/zinc/55/51/92/554555192.db2.gz WAYCSTZCJGFHRP-HMAPJEAMSA-N 0 0 576.596 7.441 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)s2)cc1 ZINC000101007309 554555212 /nfs/dbraw/zinc/55/52/12/554555212.db2.gz WMFYSRAOVQESHY-KQWNVCNZSA-N 0 0 556.178 7.096 40 10 KKCBRN NC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)sc2c1CCCC2 ZINC000101007325 554555255 /nfs/dbraw/zinc/55/52/55/554555255.db2.gz MAVHSLGQDBWWGI-RGEXLXHISA-N 0 0 548.155 5.780 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(I)cc1 ZINC000101007628 554555480 /nfs/dbraw/zinc/55/54/80/554555480.db2.gz JOQRUVGXJXDECG-DFBITEFZSA-N 0 0 520.417 5.077 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000101007431 554555503 /nfs/dbraw/zinc/55/55/03/554555503.db2.gz FTNXMEALKMEHGQ-MDWZMJQESA-N 0 0 595.132 5.797 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O ZINC000101007771 554555649 /nfs/dbraw/zinc/55/56/49/554555649.db2.gz DIAJWAVFLBOGOA-APMYLMTGSA-N 0 0 525.910 7.213 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000101007710 554555651 /nfs/dbraw/zinc/55/56/51/554555651.db2.gz JXVWHDCCWXJQPQ-ICWNOLGCSA-N 0 0 540.732 5.980 40 10 KKCBRN CCCCN(CCCC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000101008036 554556110 /nfs/dbraw/zinc/55/61/10/554556110.db2.gz BOEVUWIMELOZCU-GDLZYMKVSA-N 0 0 560.167 8.394 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(I)c1 ZINC000101008079 554556161 /nfs/dbraw/zinc/55/61/61/554556161.db2.gz XHNUBYXFZBXPGJ-MHWRWJLKSA-N 0 0 528.824 5.175 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1OC ZINC000101011364 554558095 /nfs/dbraw/zinc/55/80/95/554558095.db2.gz JCOAQQXJNAZVFG-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN CCCCc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CCCC)cc4)C3=O)SC2=S)cc1 ZINC000101016896 554560423 /nfs/dbraw/zinc/56/04/23/554560423.db2.gz UIOVSYKTGORZSX-QURGRASLSA-N 0 0 526.774 7.013 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000101035980 554565482 /nfs/dbraw/zinc/56/54/82/554565482.db2.gz NSXWFSBRGSCMHH-JAIQZWGSSA-N 0 0 518.538 5.717 40 10 KKCBRN CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000101071288 554575452 /nfs/dbraw/zinc/57/54/52/554575452.db2.gz MSSKZRDFBNMVOH-UBFVSLLYSA-N 0 0 557.444 5.713 40 10 KKCBRN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101071339 554575651 /nfs/dbraw/zinc/57/56/51/554575651.db2.gz YKFMYLWCZDBBGK-PVHODMMVSA-N 0 0 554.484 6.806 40 10 KKCBRN O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccc(Br)cc1 ZINC000101082503 554579405 /nfs/dbraw/zinc/57/94/05/554579405.db2.gz FQPAECUBUMVQKD-UHFFFAOYSA-N 0 0 520.404 6.635 40 10 KKCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc5ccccc54)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C ZINC000101483287 554784841 /nfs/dbraw/zinc/78/48/41/554784841.db2.gz RSUVJNZWVQTZBO-PFBJBMPXSA-N 0 0 501.538 5.152 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545431 554795971 /nfs/dbraw/zinc/79/59/71/554795971.db2.gz VOTPFNDFFDWDFZ-KWXIBIRDSA-N 0 0 555.428 5.430 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000101598142 554803600 /nfs/dbraw/zinc/80/36/00/554803600.db2.gz YHOAXPHTTFNPPQ-QPWMFTQFSA-N 0 0 584.584 5.836 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000101598124 554803688 /nfs/dbraw/zinc/80/36/88/554803688.db2.gz MSOISGVNYRETKW-QPWMFTQFSA-N 0 0 618.483 6.691 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101601991 554804356 /nfs/dbraw/zinc/80/43/56/554804356.db2.gz OGCQSQSXOXUTFV-PTZPRWATSA-N 0 0 572.630 6.694 40 10 KKCBRN CC(NCCc1c[nH]cn1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000101771865 554837682 /nfs/dbraw/zinc/83/76/82/554837682.db2.gz QSHGUEZLBGBCFH-PXLXIMEGSA-N 0 0 509.060 5.274 40 10 KKCBRN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000101858667 554843963 /nfs/dbraw/zinc/84/39/63/554843963.db2.gz BLGZRELJJCUEBF-RBZQAINGSA-N 0 0 534.395 5.812 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102564717 554969761 /nfs/dbraw/zinc/96/97/61/554969761.db2.gz HYGIECWLSYLVAW-NGDRWEMDSA-N 0 0 590.473 6.774 40 10 KKCBRN O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102884364 555113216 /nfs/dbraw/zinc/11/32/16/555113216.db2.gz OTYVMMHLQXOOCP-MPFGFTFXSA-N 0 0 551.976 6.935 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102884556 555113780 /nfs/dbraw/zinc/11/37/80/555113780.db2.gz YBJZIGQMHHUFBO-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000102888183 555120696 /nfs/dbraw/zinc/12/06/96/555120696.db2.gz OMDIOWPVCMVWEU-FRXPANAUSA-N 0 0 563.575 7.330 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102889483 555123751 /nfs/dbraw/zinc/12/37/51/555123751.db2.gz FWIGCQTZFMZWGO-CEUYOYMZSA-N 0 0 599.639 5.945 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102889813 555124398 /nfs/dbraw/zinc/12/43/98/555124398.db2.gz CCNFRGPBMDDGDG-NGDRWEMDSA-N 0 0 589.619 6.168 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102891426 555127178 /nfs/dbraw/zinc/12/71/78/555127178.db2.gz TYFIRTAJYANBAT-IDZRBWSNSA-N 0 0 598.913 8.272 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102896751 555136815 /nfs/dbraw/zinc/13/68/15/555136815.db2.gz OQSQTQWZVGEJLS-CEUYOYMZSA-N 0 0 599.639 5.945 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102897139 555137685 /nfs/dbraw/zinc/13/76/85/555137685.db2.gz WISHVNOYJJWSCO-NGDRWEMDSA-N 0 0 564.012 6.804 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102899335 555139070 /nfs/dbraw/zinc/13/90/70/555139070.db2.gz FERJTWXPDVGRTE-WRVRXEDSSA-N 0 0 572.104 8.088 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1 ZINC000103448826 555420417 /nfs/dbraw/zinc/42/04/17/555420417.db2.gz LFMQWLDCSOJFOD-DEDYPNTBSA-N 0 0 537.492 5.717 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 ZINC000103541684 555438722 /nfs/dbraw/zinc/43/87/22/555438722.db2.gz JKWJQEPLJUSXHM-IDZRBWSNSA-N 0 0 540.575 6.220 40 10 KKCBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000103544492 555439708 /nfs/dbraw/zinc/43/97/08/555439708.db2.gz UXXOWEQNKKFAAB-IDZRBWSNSA-N 0 0 558.565 6.359 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103552429 555444460 /nfs/dbraw/zinc/44/44/60/555444460.db2.gz GNHRCODOBKECND-MPFGFTFXSA-N 0 0 560.993 6.565 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103554873 555445542 /nfs/dbraw/zinc/44/55/42/555445542.db2.gz IAOPOOMGGNJBHE-AYQJTBPPSA-N 0 0 576.048 6.674 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000103557256 555446844 /nfs/dbraw/zinc/44/68/44/555446844.db2.gz LISIWFDMJWZKNI-LSMIHOHGSA-N 0 0 551.429 6.799 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103558457 555447107 /nfs/dbraw/zinc/44/71/07/555447107.db2.gz JTRSKHNHDZNKBW-NGDRWEMDSA-N 0 0 556.574 5.920 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000103593242 555452704 /nfs/dbraw/zinc/45/27/04/555452704.db2.gz CFZGAGHDMZMFJX-AQRUSWPISA-N 0 0 543.480 5.423 40 10 KKCBRN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 ZINC000103596707 555453560 /nfs/dbraw/zinc/45/35/60/555453560.db2.gz NEBHZVQCIWUNDI-SQCFNSSFSA-N 0 0 516.671 5.239 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000103606231 555454872 /nfs/dbraw/zinc/45/48/72/555454872.db2.gz LIIOFPNNXYSNFF-RHYJSTRDSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103605001 555454913 /nfs/dbraw/zinc/45/49/13/555454913.db2.gz LBTSQYIDWADNBV-BAMDHRJJSA-N 0 0 531.550 5.260 40 10 KKCBRN CN1C(=O)C(=Cc2ccc(Sc3nnc(Cc4cccc5ccccc54)n3-c3ccccc3)o2)C(=O)N(C)C1=O ZINC000103757686 555470291 /nfs/dbraw/zinc/47/02/91/555470291.db2.gz OJRISXLLIQPVRN-UHFFFAOYSA-N 0 0 549.612 5.189 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1O ZINC000103759007 555470798 /nfs/dbraw/zinc/47/07/98/555470798.db2.gz KAEIERBSKDIPII-UHFFFAOYSA-N 0 0 582.394 5.596 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000103760377 555471041 /nfs/dbraw/zinc/47/10/41/555471041.db2.gz DIEQMZHXVVRPTF-UHFFFAOYSA-N 0 0 612.489 6.064 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC ZINC000103760404 555471074 /nfs/dbraw/zinc/47/10/74/555471074.db2.gz RSXUHQOWMKFMAQ-UHFFFAOYSA-N 0 0 626.516 6.454 40 10 KKCBRN N=c1nc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])ss1 ZINC000103761667 555471562 /nfs/dbraw/zinc/47/15/62/555471562.db2.gz YNOQZDBRCVDHDY-UHFFFAOYSA-N 0 0 577.694 5.492 40 10 KKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000103776567 555475734 /nfs/dbraw/zinc/47/57/34/555475734.db2.gz HGEYHUVGFDDELJ-VCHYOVAHSA-N 0 0 546.642 7.425 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Br)cc1 ZINC000103780274 555475950 /nfs/dbraw/zinc/47/59/50/555475950.db2.gz QQABFMURSRXTIO-MRWVFDTMSA-N 0 0 610.552 6.628 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789765 555479319 /nfs/dbraw/zinc/47/93/19/555479319.db2.gz ZZJLQYPFBRCWFR-QUNTYYFUSA-N 0 0 608.591 6.636 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789923 555479637 /nfs/dbraw/zinc/47/96/37/555479637.db2.gz KCVCTIGKBCCPRG-PKYOQBLNSA-N 0 0 618.597 6.092 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000103791140 555480922 /nfs/dbraw/zinc/48/09/22/555480922.db2.gz GWKYHZJULLBEDO-MRWVFDTMSA-N 0 0 603.660 5.543 40 10 KKCBRN CC1(C)OC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)O1 ZINC000169330178 562858649 /nfs/dbraw/zinc/85/86/49/562858649.db2.gz QKQKYWRSEATTTA-UHFFFAOYSA-N 0 0 528.402 6.793 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=CC3=CC(=NNc4ccccc4)C=CC3=O)sc2=N1 ZINC000103827694 571362105 /nfs/dbraw/zinc/36/21/05/571362105.db2.gz OHKGLFKXNSJCKW-TUHQKKNWSA-N 0 0 612.708 5.717 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000103843635 571362812 /nfs/dbraw/zinc/36/28/12/571362812.db2.gz FNKHFAVHUUAIOF-COEJQBHMSA-N 0 0 547.724 7.330 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000103855020 571365937 /nfs/dbraw/zinc/36/59/37/571365937.db2.gz WZLIQPRCCOCWFJ-SNCSUOKWSA-N 0 0 551.646 7.653 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000103855410 571365982 /nfs/dbraw/zinc/36/59/82/571365982.db2.gz JJNPCXPZQUFBHL-JJIBRWJFSA-N 0 0 523.501 5.755 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103857083 571366293 /nfs/dbraw/zinc/36/62/93/571366293.db2.gz ZRYFSBUIIQSGSK-UHFFFAOYSA-N 0 0 539.451 5.179 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000103858212 571366398 /nfs/dbraw/zinc/36/63/98/571366398.db2.gz DDYLWHQZQBPZAI-FYJGNVAPSA-N 0 0 539.357 5.232 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000103858216 571366436 /nfs/dbraw/zinc/36/64/36/571366436.db2.gz XSNUEFMDSZTXRC-YBFXNURJSA-N 0 0 546.204 6.001 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103858220 571366477 /nfs/dbraw/zinc/36/64/77/571366477.db2.gz MNELRKIPCFJKLN-YBFXNURJSA-N 0 0 590.257 6.400 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000103891527 571368720 /nfs/dbraw/zinc/36/87/20/571368720.db2.gz KNXWOPSMYCRBBT-MRWVFDTMSA-N 0 0 549.646 6.004 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000103909008 571369407 /nfs/dbraw/zinc/36/94/07/571369407.db2.gz UCNCWMYVZVDLIQ-GSTVVXAASA-N 0 0 562.138 6.688 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000103922174 571369823 /nfs/dbraw/zinc/36/98/23/571369823.db2.gz SYGMZKCKJSDVFE-ONUIUJJFSA-N 0 0 525.609 5.783 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000103922110 571369844 /nfs/dbraw/zinc/36/98/44/571369844.db2.gz MULMFJCAEMFPBT-ONUIUJJFSA-N 0 0 542.064 6.297 40 10 KKCBRN Nc1nc(-c2ccccc2/N=N/N2CCN(/N=N\c3ccccc3-c3nc(N)c4ccccc4n3)CC2)nc2ccccc12 ZINC000104143255 571374846 /nfs/dbraw/zinc/37/48/46/571374846.db2.gz OPRMDWGXNRGNIG-QHHXFVPXSA-N 0 0 580.660 6.387 40 10 KKCBRN Cc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000104290098 571378411 /nfs/dbraw/zinc/37/84/11/571378411.db2.gz QSTROFQJAAFIMJ-KNWKATPGSA-N 0 0 534.019 8.263 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000104300278 571378752 /nfs/dbraw/zinc/37/87/52/571378752.db2.gz SFEKBXHSKHUJGX-NDENLUEZSA-N 0 0 533.433 6.556 40 10 KKCBRN CN(C)c1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c54)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104465919 571381027 /nfs/dbraw/zinc/38/10/27/571381027.db2.gz UVZZIAKSCXFCIH-JGCGQSQUSA-N 0 0 578.632 6.922 40 10 KKCBRN C[C@H](OC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000104573671 571381559 /nfs/dbraw/zinc/38/15/59/571381559.db2.gz IZEKQPNBEARVMC-CIEZHXKZSA-N 0 0 550.449 5.456 40 10 KKCBRN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646655 571381879 /nfs/dbraw/zinc/38/18/79/571381879.db2.gz GEJNOBHFJCJSAO-RVFQGNMQSA-N 0 0 559.869 6.459 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000104646142 571381933 /nfs/dbraw/zinc/38/19/33/571381933.db2.gz UZFWPQIBJGUFON-XXAUWVGASA-N 0 0 524.042 6.999 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646827 571382080 /nfs/dbraw/zinc/38/20/80/571382080.db2.gz OXXGHHNCZAQWOV-LZCXECNNSA-N 0 0 527.042 5.993 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104646930 571382084 /nfs/dbraw/zinc/38/20/84/571382084.db2.gz JMGMMKXGJUIMAE-CUAXAMRHSA-N 0 0 531.461 6.638 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647451 571382160 /nfs/dbraw/zinc/38/21/60/571382160.db2.gz GGRRSBIHMHTPBG-SGIRGMQISA-N 0 0 529.445 6.407 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104647298 571382189 /nfs/dbraw/zinc/38/21/89/571382189.db2.gz VWOUUAMEWZYNDL-SRGWNRLKSA-N 0 0 516.406 6.529 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104647284 571382228 /nfs/dbraw/zinc/38/22/28/571382228.db2.gz YENHABWKPKRFDU-ATLLOTDBSA-N 0 0 531.461 6.638 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647554 571382220 /nfs/dbraw/zinc/38/22/20/571382220.db2.gz VQWHSOWEBYIOMJ-QLODZENZSA-N 0 0 519.881 7.583 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647532 571382239 /nfs/dbraw/zinc/38/22/39/571382239.db2.gz SSOFHGUYWNSHTO-YYULODDRSA-N 0 0 519.881 7.583 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648195 571382505 /nfs/dbraw/zinc/38/25/05/571382505.db2.gz QUFHPTGNOVWVRI-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648358 571382517 /nfs/dbraw/zinc/38/25/17/571382517.db2.gz JOUYPTSOGGFCNA-CLCZQPDDSA-N 0 0 537.523 7.374 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648421 571382640 /nfs/dbraw/zinc/38/26/40/571382640.db2.gz DLLKZWGMNBWSHP-RHGYRFJNSA-N 0 0 539.406 7.640 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648472 571382698 /nfs/dbraw/zinc/38/26/98/571382698.db2.gz NBUZRTRYRMRPSV-LZCXECNNSA-N 0 0 560.594 6.359 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649278 571382807 /nfs/dbraw/zinc/38/28/07/571382807.db2.gz IREIKKCQRQAITL-WTNLLYQRSA-N 0 0 524.642 7.115 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649166 571382860 /nfs/dbraw/zinc/38/28/60/571382860.db2.gz VZGFFVHGXKQFDW-QSOCVKKASA-N 0 0 597.693 7.200 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1 ZINC000104648885 571382872 /nfs/dbraw/zinc/38/28/72/571382872.db2.gz JMIBWUGOUDFLJI-SXDGJLEOSA-N 0 0 536.650 5.738 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)c(OC)c1 ZINC000104649509 571382952 /nfs/dbraw/zinc/38/29/52/571382952.db2.gz MEWWEWYGNCPAPJ-ASHZAFPQSA-N 0 0 537.594 5.248 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104650143 571383181 /nfs/dbraw/zinc/38/31/81/571383181.db2.gz WQHJREOVVFUCRH-LZCXECNNSA-N 0 0 537.594 5.248 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000104650095 571383205 /nfs/dbraw/zinc/38/32/05/571383205.db2.gz BRPJCQWVLQJNJO-GLDPYIMESA-N 0 0 526.958 5.784 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc6ccccc65)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104650306 571383293 /nfs/dbraw/zinc/38/32/93/571383293.db2.gz SFSVZISIJRHREE-LUFHZVBGSA-N 0 0 603.700 7.954 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650478 571383312 /nfs/dbraw/zinc/38/33/12/571383312.db2.gz XHDZILUHCVQSPI-RHGYRFJNSA-N 0 0 533.850 6.869 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650498 571383336 /nfs/dbraw/zinc/38/33/36/571383336.db2.gz XLQDMEQJMXXIHC-GLDPYIMESA-N 0 0 560.311 6.839 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657309 571384352 /nfs/dbraw/zinc/38/43/52/571384352.db2.gz VCIUMYFOFQLRDQ-SAGCDJCOSA-N 0 0 561.682 5.874 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000104660280 571384985 /nfs/dbraw/zinc/38/49/85/571384985.db2.gz JYKGWPRLZQBHCH-UHFFFAOYSA-N 0 0 526.210 6.479 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4cccc(Br)c4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000104821687 571386429 /nfs/dbraw/zinc/38/64/29/571386429.db2.gz ZGZLCRNXPVHORU-DEQPFZNBSA-N 0 0 625.636 6.377 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000105026753 571389948 /nfs/dbraw/zinc/38/99/48/571389948.db2.gz NIZJEIRRMXKYMY-JLPGSUDCSA-N 0 0 573.874 7.525 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000105233036 571392372 /nfs/dbraw/zinc/39/23/72/571392372.db2.gz IXPUFNVSBFVKSL-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498387 571405747 /nfs/dbraw/zinc/40/57/47/571405747.db2.gz CPTQWUFMYOBJLO-UTAOYMJKSA-N 0 0 608.163 6.526 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499269 571406061 /nfs/dbraw/zinc/40/60/61/571406061.db2.gz CFEHUAZVUOWHLK-BIWBSIMWSA-N 0 0 578.159 5.581 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000105511738 571406799 /nfs/dbraw/zinc/40/67/99/571406799.db2.gz YIEILWNMYWFCHI-UTAOYMJKSA-N 0 0 608.163 6.526 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000222894694 571410745 /nfs/dbraw/zinc/41/07/45/571410745.db2.gz IBLQQWWVFDLLBP-MUUNZHRXSA-N 0 0 535.710 5.103 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000106035639 571411042 /nfs/dbraw/zinc/41/10/42/571411042.db2.gz XLHWLTYBAVFOIL-CCVNUDIWSA-N 0 0 626.606 8.019 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccccc5F)C4=O)c3C)cc2)cc1 ZINC000106698920 571414294 /nfs/dbraw/zinc/41/42/94/571414294.db2.gz RGDWSQUVVYOCQN-QRQIAZFYSA-N 0 0 528.605 7.271 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000106726643 571416445 /nfs/dbraw/zinc/41/64/45/571416445.db2.gz JQBQKLGYARXEKB-MYYYXRDXSA-N 0 0 517.448 7.246 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000106732380 571416614 /nfs/dbraw/zinc/41/66/14/571416614.db2.gz MSKRCSFHFHJURV-XYGWBWBKSA-N 0 0 567.505 7.050 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000106757569 571417857 /nfs/dbraw/zinc/41/78/57/571417857.db2.gz KREZPDYPRSNONK-BKUYFWCQSA-N 0 0 516.461 5.214 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)c2C)cc1 ZINC000106761076 571417984 /nfs/dbraw/zinc/41/79/84/571417984.db2.gz GIRUOYUPXJRJNI-XHPQRKPJSA-N 0 0 518.635 6.166 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106764510 571418060 /nfs/dbraw/zinc/41/80/60/571418060.db2.gz SDNREKMPVMGCPZ-RRAHZORUSA-N 0 0 500.664 7.257 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000106884220 571418466 /nfs/dbraw/zinc/41/84/66/571418466.db2.gz ILSVFBHOOFHDIS-GIDUJCDVSA-N 0 0 518.241 5.262 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223083286 571429189 /nfs/dbraw/zinc/42/91/89/571429189.db2.gz CJDBSUPSDIZAHB-FQLXRVMXSA-N 0 0 515.727 5.631 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223083470 571429218 /nfs/dbraw/zinc/42/92/18/571429218.db2.gz CJDBSUPSDIZAHB-VMPREFPWSA-N 0 0 515.727 5.631 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1sc2cc(Cl)ccc2c1Cl ZINC000109613587 571429708 /nfs/dbraw/zinc/42/97/08/571429708.db2.gz ZCYNJONOZZQCOH-UHFFFAOYSA-N 0 0 519.862 7.219 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223100656 571431155 /nfs/dbraw/zinc/43/11/55/571431155.db2.gz SZLYATTXRWNQML-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN Cc1nc(N(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ccccc43)cc2)c(C)n1N ZINC000110548246 571431446 /nfs/dbraw/zinc/43/14/46/571431446.db2.gz NEUKGUWAROXYFB-IFHTXPMASA-N 0 0 632.787 6.687 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000112253548 571436793 /nfs/dbraw/zinc/43/67/93/571436793.db2.gz BZYNXTQMPYYOAY-UHFFFAOYSA-N 0 0 590.573 5.467 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000113624631 571441289 /nfs/dbraw/zinc/44/12/89/571441289.db2.gz RUZJKRXWJYJNCA-UHFFFAOYSA-N 0 0 531.600 5.126 40 10 KKCBRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000113625514 571441427 /nfs/dbraw/zinc/44/14/27/571441427.db2.gz VNDDUISXVUJTDF-UHFFFAOYSA-N 0 0 552.018 5.471 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000113830942 571442364 /nfs/dbraw/zinc/44/23/64/571442364.db2.gz IMSWFEIOKUTSMZ-VGOFMYFVSA-N 0 0 519.667 6.279 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830900 571442401 /nfs/dbraw/zinc/44/24/01/571442401.db2.gz ZCYIGNPAUAOOFH-LSHDLFTRSA-N 0 0 547.441 6.895 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3/SC(=S)N(C)C3=O)cc2Br)cc1 ZINC000113830792 571442426 /nfs/dbraw/zinc/44/24/26/571442426.db2.gz OBWPNUUIHCMLHI-CXUHLZMHSA-N 0 0 513.276 5.930 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000113830566 571442448 /nfs/dbraw/zinc/44/24/48/571442448.db2.gz XTUDSZZJSGSZDB-LPYMAVHISA-N 0 0 506.561 5.537 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCSc1ccc(C)cc1 ZINC000113830533 571442454 /nfs/dbraw/zinc/44/24/54/571442454.db2.gz MYCMKCTXSLKZFE-BUVRLJJBSA-N 0 0 528.120 7.234 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1O ZINC000113831229 571442513 /nfs/dbraw/zinc/44/25/13/571442513.db2.gz KXDLBXPOBGVDJZ-NTUHNPAUSA-N 0 0 533.238 5.861 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000113831149 571442519 /nfs/dbraw/zinc/44/25/19/571442519.db2.gz DBSRQYWBQWFBOJ-UHFFFAOYSA-N 0 0 538.600 6.162 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113831242 571442533 /nfs/dbraw/zinc/44/25/33/571442533.db2.gz XOBVZLIAQJAYOR-SRZZPIQSSA-N 0 0 545.411 6.481 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000113832913 571442574 /nfs/dbraw/zinc/44/25/74/571442574.db2.gz SXEIUHJQMLIQTK-FYJGNVAPSA-N 0 0 518.037 5.522 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113833586 571442616 /nfs/dbraw/zinc/44/26/16/571442616.db2.gz YXOHLZIGBXGYAE-UHFFFAOYSA-N 0 0 540.644 7.167 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187758 571442665 /nfs/dbraw/zinc/44/26/65/571442665.db2.gz BMNFVOKRINDTCX-FTJBHMTQSA-N 0 0 544.552 5.491 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000113836618 571442781 /nfs/dbraw/zinc/44/27/81/571442781.db2.gz IFBUERXMGPIUBO-YDZHTSKRSA-N 0 0 506.008 6.657 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189464 571442858 /nfs/dbraw/zinc/44/28/58/571442858.db2.gz LTQQOLCFKSCKIS-XRKRLSELSA-N 0 0 517.743 5.109 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(F)c1 ZINC000113838285 571442876 /nfs/dbraw/zinc/44/28/76/571442876.db2.gz TZDGDUHUSZXQIP-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189714 571442890 /nfs/dbraw/zinc/44/28/90/571442890.db2.gz NXQNEAFZPARPCH-KAYWLYCHSA-N 0 0 524.134 5.146 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000113838233 571442917 /nfs/dbraw/zinc/44/29/17/571442917.db2.gz IDRQIWNZQYYPHV-JFLMPSFJSA-N 0 0 545.516 8.555 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113838812 571442920 /nfs/dbraw/zinc/44/29/20/571442920.db2.gz MWPXDRSWUSRQCA-ZMOGYAJESA-N 0 0 509.483 7.960 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191621 571443177 /nfs/dbraw/zinc/44/31/77/571443177.db2.gz UZPACILQAQQCMU-LMSSTIIKSA-N 0 0 517.743 5.055 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191676 571443197 /nfs/dbraw/zinc/44/31/97/571443197.db2.gz UZPACILQAQQCMU-YTMVLYRLSA-N 0 0 517.743 5.055 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916995 571444114 /nfs/dbraw/zinc/44/41/14/571444114.db2.gz YXNMFNAUZMYQMA-ITJPGMNPSA-N 0 0 559.879 9.719 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223215645 571446345 /nfs/dbraw/zinc/44/63/45/571446345.db2.gz NYXWKJNVLYWZEH-OAHLLOKOSA-N 0 0 554.525 5.373 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000139114737 571452995 /nfs/dbraw/zinc/45/29/95/571452995.db2.gz WAEMTJYFCZJHCZ-UHFFFAOYSA-N 0 0 595.877 7.339 40 10 KKCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000143785021 571456316 /nfs/dbraw/zinc/45/63/16/571456316.db2.gz HFSGAKYYCONPCR-YUMHPJSZSA-N 0 0 512.034 6.097 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000223309744 571458967 /nfs/dbraw/zinc/45/89/67/571458967.db2.gz FFUMQRRHTHILOR-NTUVXCKYSA-N 0 0 511.489 5.403 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223312480 571459258 /nfs/dbraw/zinc/45/92/58/571459258.db2.gz XHYZHDKAYJFRPX-GKVQRAMASA-N 0 0 501.483 5.947 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150362864 571464111 /nfs/dbraw/zinc/46/41/11/571464111.db2.gz VSTXOHMVLGBTOU-SHIIWXHXSA-N 0 0 647.797 5.977 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C ZINC000150365845 571464639 /nfs/dbraw/zinc/46/46/39/571464639.db2.gz IAFBRPFISOTXSO-SXSXHBQDSA-N 0 0 685.612 9.254 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)/C1=C(\N[C@@H]1CCCC[C@H]1N/C(=C1/C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150373565 571466078 /nfs/dbraw/zinc/46/60/78/571466078.db2.gz GEIIXGCPOFWFOA-HELXSAKFSA-N 0 0 666.920 8.746 40 10 KKCBRN c1ccc(/C(N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)=C(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000150374000 571466147 /nfs/dbraw/zinc/46/61/47/571466147.db2.gz JHYJIVGZSFPPKL-XOJVNVCVSA-N 0 0 720.920 13.401 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223382907 571468862 /nfs/dbraw/zinc/46/88/62/571468862.db2.gz PHBFDUMJCZUTJL-IZZNHLLZSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223388167 571469753 /nfs/dbraw/zinc/46/97/53/571469753.db2.gz FOYAKFPRTJYTML-FTJBHMTQSA-N 0 0 507.490 6.969 40 10 KKCBRN CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2cc(Br)c([O-])c(C[NH+]3CCN(c4ccccc4C)CC3)c21 ZINC000150390118 571472389 /nfs/dbraw/zinc/47/23/89/571472389.db2.gz IMWONKFNAURKHZ-UHFFFAOYSA-N 0 0 641.404 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223410175 571472594 /nfs/dbraw/zinc/47/25/94/571472594.db2.gz DPLXGFDMONFWEN-CONSDPRKSA-N 0 0 553.732 5.507 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223421740 571474175 /nfs/dbraw/zinc/47/41/75/571474175.db2.gz FWFZKUNACUTYDC-SVBPBHIXSA-N 0 0 547.522 6.433 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223422004 571474189 /nfs/dbraw/zinc/47/41/89/571474189.db2.gz JQCNMGBEMFXUCH-SVBPBHIXSA-N 0 0 547.522 6.433 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424219 571474509 /nfs/dbraw/zinc/47/45/09/571474509.db2.gz VPLHUDQUKWYJEZ-FIRIVFDPSA-N 0 0 539.749 6.517 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223423970 571474558 /nfs/dbraw/zinc/47/45/58/571474558.db2.gz RVPQQAMOGFXDMD-VMPREFPWSA-N 0 0 511.695 5.736 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223427809 571475013 /nfs/dbraw/zinc/47/50/13/571475013.db2.gz QRUCERZVJVECEG-IZLXSDGUSA-N 0 0 533.097 6.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224118347 571479640 /nfs/dbraw/zinc/47/96/40/571479640.db2.gz YSDYQDGQUZAJJI-OTWWGAIPSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224118245 571479664 /nfs/dbraw/zinc/47/96/64/571479664.db2.gz YSDYQDGQUZAJJI-WTEHXLFCSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Br)cc1 ZINC000223461626 571480249 /nfs/dbraw/zinc/48/02/49/571480249.db2.gz VDXOIHPGVQFVCZ-RPBOFIJWSA-N 0 0 518.484 5.819 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)c1 ZINC000150408786 571481172 /nfs/dbraw/zinc/48/11/72/571481172.db2.gz VWVKLCSNSGOPOJ-MFOYZWKCSA-N 0 0 649.224 6.603 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223467301 571481518 /nfs/dbraw/zinc/48/15/18/571481518.db2.gz FSEAHYSGLKGUIV-IZZNHLLZSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224128021 571481784 /nfs/dbraw/zinc/48/17/84/571481784.db2.gz GRNXKFBMLKYBIE-KKZQLBJISA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224128064 571481984 /nfs/dbraw/zinc/48/19/84/571481984.db2.gz GRNXKFBMLKYBIE-YRWXMRNASA-N 0 0 584.233 8.110 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224128457 571482015 /nfs/dbraw/zinc/48/20/15/571482015.db2.gz GRROYUDVQOYLTR-BDQLSBHJSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224129817 571482375 /nfs/dbraw/zinc/48/23/75/571482375.db2.gz BIFRWAYSIDXLAL-WTEHXLFCSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224133259 571483192 /nfs/dbraw/zinc/48/31/92/571483192.db2.gz FLZBIWRDKRMRBN-HROQPEKHSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224134158 571483262 /nfs/dbraw/zinc/48/32/62/571483262.db2.gz HWPSJXLURAERAV-BXYJHVRESA-N 0 0 614.215 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000224133600 571483297 /nfs/dbraw/zinc/48/32/97/571483297.db2.gz WMBQEASUZVILEW-REDDFQDCSA-N 0 0 598.260 8.419 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224134854 571483465 /nfs/dbraw/zinc/48/34/65/571483465.db2.gz RMXHEKQADHXEJN-DRHZDZKSSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224136252 571483807 /nfs/dbraw/zinc/48/38/07/571483807.db2.gz SNKCCSAINRFIQC-LZFLVSJNSA-N 0 0 585.221 7.505 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224148619 571486353 /nfs/dbraw/zinc/48/63/53/571486353.db2.gz WIUHPIAHLSPGBS-LKPJLLJWSA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000223495050 571486770 /nfs/dbraw/zinc/48/67/70/571486770.db2.gz HWXJQNVQGRJKPP-QRVIBDJDSA-N 0 0 554.510 6.534 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000150419212 571486796 /nfs/dbraw/zinc/48/67/96/571486796.db2.gz NRLRDBQPXQVRJS-LFVJCYFKSA-N 0 0 632.454 6.744 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223495430 571486797 /nfs/dbraw/zinc/48/67/97/571486797.db2.gz ZFEBSMOUIVSIAW-MYYYXRDXSA-N 0 0 519.667 6.171 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000150423460 571488829 /nfs/dbraw/zinc/48/88/29/571488829.db2.gz BTPKVKHGRGIWEH-TWKHWXDSSA-N 0 0 708.552 8.314 40 10 KKCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)c1 ZINC000223519759 571492494 /nfs/dbraw/zinc/49/24/94/571492494.db2.gz NKXWOVRPLXGFJN-QFEZKATASA-N 0 0 503.668 6.389 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1 ZINC000223520390 571492620 /nfs/dbraw/zinc/49/26/20/571492620.db2.gz BSCHXMNUQQYBLC-QFEZKATASA-N 0 0 519.667 6.089 40 10 KKCBRN Cc1cc2c(cc1/C=C1\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223521251 571492907 /nfs/dbraw/zinc/49/29/07/571492907.db2.gz ZOEJRTHCTTXYLH-QRVIBDJDSA-N 0 0 507.034 5.590 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224192449 571493871 /nfs/dbraw/zinc/49/38/71/571493871.db2.gz DWSSEMQXSMSNNE-IZZNHLLZSA-N 0 0 506.597 6.993 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224192414 571493943 /nfs/dbraw/zinc/49/39/43/571493943.db2.gz DWSSEMQXSMSNNE-FTJBHMTQSA-N 0 0 506.597 6.993 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000150435376 571495320 /nfs/dbraw/zinc/49/53/20/571495320.db2.gz HZRIFDLQQFQYEN-OEAKJJBVSA-N 0 0 637.948 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224204062 571495935 /nfs/dbraw/zinc/49/59/35/571495935.db2.gz WBXAGYIIGZOPGQ-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000224203667 571495944 /nfs/dbraw/zinc/49/59/44/571495944.db2.gz VYOCEHIJWHVSEC-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224207842 571496969 /nfs/dbraw/zinc/49/69/69/571496969.db2.gz XJOIDJPPXAJGNZ-SVBPBHIXSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Br)cc1 ZINC000223537311 571497333 /nfs/dbraw/zinc/49/73/33/571497333.db2.gz BLMFMOIORPCHQZ-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc(Br)cc1 ZINC000150440304 571497901 /nfs/dbraw/zinc/49/79/01/571497901.db2.gz KOLTUUFRESYIQA-AKZLBXIRSA-N 0 0 622.339 6.097 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150442596 571498939 /nfs/dbraw/zinc/49/89/39/571498939.db2.gz FOOQSIITNRWIQE-CHHVJCJISA-N 0 0 684.067 6.967 40 10 KKCBRN CC1(C)CCCC(C)(C)N1C(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N3C(C)(C)CCCC3(C)C)C2=O)SC1=S ZINC000150444419 571499657 /nfs/dbraw/zinc/49/96/57/571499657.db2.gz WSKGKERIMCCFIJ-QURGRASLSA-N 0 0 652.974 5.838 40 10 KKCBRN Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4c(C)cc(C)cc4C)C3=O)SC2=S)c(C)c1 ZINC000150444472 571499720 /nfs/dbraw/zinc/49/97/20/571499720.db2.gz UJJPUPRHSULQLR-OCEACIFDSA-N 0 0 640.878 5.827 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4sc5c(c4C(=O)OCC)CCCC5)C3=O)SC2=S)sc2c1CCCC2 ZINC000150444789 571499949 /nfs/dbraw/zinc/49/99/49/571499949.db2.gz WAXNQHNZAXFYRN-OCEACIFDSA-N 0 0 821.084 6.210 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224225099 571501102 /nfs/dbraw/zinc/50/11/02/571501102.db2.gz AMFLFZYTTLYTJN-KYJUHHDHSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224236043 571503492 /nfs/dbraw/zinc/50/34/92/571503492.db2.gz PBVWNLWXRABMAW-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224238096 571504111 /nfs/dbraw/zinc/50/41/11/571504111.db2.gz UVLYYUODLTZOKZ-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240628 571504552 /nfs/dbraw/zinc/50/45/52/571504552.db2.gz XTUZKSAGBVVMOG-KAYWLYCHSA-N 0 0 513.623 5.891 40 10 KKCBRN CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000150455951 571504518 /nfs/dbraw/zinc/50/45/18/571504518.db2.gz KSERSZGUFHQSCR-UUWRZZSWSA-N 0 0 666.777 6.984 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000150459980 571505852 /nfs/dbraw/zinc/50/58/52/571505852.db2.gz ZQZLOTCCNZELDM-JEIPZWNWSA-N 0 0 865.958 10.445 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224257784 571507966 /nfs/dbraw/zinc/50/79/66/571507966.db2.gz UMSWKZZIYVUMOO-SXOMAYOGSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224257880 571508008 /nfs/dbraw/zinc/50/80/08/571508008.db2.gz UMSWKZZIYVUMOO-SVBPBHIXSA-N 0 0 520.624 7.302 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)SC1=S)Nc1nc2ccccc2s1 ZINC000150469520 571508711 /nfs/dbraw/zinc/50/87/11/571508711.db2.gz HJVHYOQYATZONG-FMQUCBEESA-N 0 0 670.870 5.196 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000150469787 571508913 /nfs/dbraw/zinc/50/89/13/571508913.db2.gz GFJLULJSNDBZBF-BYYHNAKLSA-N 0 0 847.944 8.158 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000150469796 571509035 /nfs/dbraw/zinc/50/90/35/571509035.db2.gz AIAUFKVPHIFOQQ-BYYHNAKLSA-N 0 0 915.048 8.889 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4sc5c(c4C(=O)OCC)CCCC5)C3=O)SC2=S)sc2c1CCCC2 ZINC000150470194 571509120 /nfs/dbraw/zinc/50/91/20/571509120.db2.gz KEARGMDSDCXFII-QNEJGDQOSA-N 0 0 905.246 8.551 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150475144 571510727 /nfs/dbraw/zinc/51/07/27/571510727.db2.gz IBJDZQLMIICIPG-WGOQTCKBSA-N 0 0 623.537 7.433 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273394 571511337 /nfs/dbraw/zinc/51/13/37/571511337.db2.gz ONNREWXLTHAISN-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150481028 571512270 /nfs/dbraw/zinc/51/22/70/571512270.db2.gz PGDPOYNVNWAYCU-RDRPBHBLSA-N 0 0 726.421 8.844 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150481133 571512437 /nfs/dbraw/zinc/51/24/37/571512437.db2.gz YILDJCKCSCOBEU-RDRPBHBLSA-N 0 0 692.522 7.990 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1 ZINC000150481088 571512445 /nfs/dbraw/zinc/51/24/45/571512445.db2.gz UPZLUQZNPXMIGY-VUTHCHCSSA-N 0 0 694.525 7.924 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000150481139 571512446 /nfs/dbraw/zinc/51/24/46/571512446.db2.gz RLUHUMWQDNLKRX-RDRPBHBLSA-N 0 0 681.970 8.735 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1 ZINC000224286059 571513473 /nfs/dbraw/zinc/51/34/73/571513473.db2.gz RAWINHJOARJURR-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224286122 571513555 /nfs/dbraw/zinc/51/35/55/571513555.db2.gz XTBUJFYLIJORHM-VSGBNLITSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223614723 571514360 /nfs/dbraw/zinc/51/43/60/571514360.db2.gz OETABXARGHVYTI-WTZXFZKGSA-N 0 0 527.528 7.495 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224290465 571514376 /nfs/dbraw/zinc/51/43/76/571514376.db2.gz VDMSKDAVJFZIEB-FIRIVFDPSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223615987 571514521 /nfs/dbraw/zinc/51/45/21/571514521.db2.gz BDYCWFPLRLPOHC-WTZXFZKGSA-N 0 0 509.647 6.310 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224298109 571516554 /nfs/dbraw/zinc/51/65/54/571516554.db2.gz CPJCMBPNVYBIPD-IOWSJCHKSA-N 0 0 502.687 7.436 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224302304 571517483 /nfs/dbraw/zinc/51/74/83/571517483.db2.gz KPXQRECWBOYMIO-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224306724 571518593 /nfs/dbraw/zinc/51/85/93/571518593.db2.gz GMAMEZPHUCLKQW-IZLXSDGUSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307484 571518661 /nfs/dbraw/zinc/51/86/61/571518661.db2.gz PVNFEXIGKSWJFG-NSOVKSMOSA-N 0 0 517.098 6.945 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223640549 571518680 /nfs/dbraw/zinc/51/86/80/571518680.db2.gz LXYMUTFFVLWGJZ-DHIUTWEWSA-N 0 0 502.562 5.044 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000224325528 571522237 /nfs/dbraw/zinc/52/22/37/571522237.db2.gz ORCKCJIPQHCPFO-IOWSJCHKSA-N 0 0 537.733 6.065 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000224330054 571523195 /nfs/dbraw/zinc/52/31/95/571523195.db2.gz LDDKMGSBEFAORG-RRPNLBNLSA-N 0 0 503.071 6.588 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000224336500 571524745 /nfs/dbraw/zinc/52/47/45/571524745.db2.gz LYXBPIITUBNOHJ-SXOMAYOGSA-N 0 0 531.523 6.991 40 10 KKCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223678139 571525248 /nfs/dbraw/zinc/52/52/48/571525248.db2.gz YVNLCFCMNVHZQT-DHIUTWEWSA-N 0 0 502.562 5.044 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000224340336 571525815 /nfs/dbraw/zinc/52/58/15/571525815.db2.gz FFQWTZKGWJOVNL-VSGBNLITSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000224340725 571525891 /nfs/dbraw/zinc/52/58/91/571525891.db2.gz WDVVMDFLWFMBMF-VSGBNLITSA-N 0 0 501.099 7.190 40 10 KKCBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662108 571527657 /nfs/dbraw/zinc/52/76/57/571527657.db2.gz XTMLICIYPNABCR-JIXMOJNMSA-N 0 0 713.399 11.836 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000224353834 571528700 /nfs/dbraw/zinc/52/87/00/571528700.db2.gz NUTRWONLEJIJKT-IZLXSDGUSA-N 0 0 510.663 6.015 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000224353922 571528722 /nfs/dbraw/zinc/52/87/22/571528722.db2.gz NUTRWONLEJIJKT-VSGBNLITSA-N 0 0 510.663 6.015 40 10 KKCBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C\c3ccc(N(C)C)cc3)CCC2)ccc1OC(F)F ZINC000150691854 571529020 /nfs/dbraw/zinc/52/90/20/571529020.db2.gz QEZJCHZWBQAZNB-NBHUWGNESA-N 0 0 642.772 6.225 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224368129 571531423 /nfs/dbraw/zinc/53/14/23/571531423.db2.gz FRHDSFGZFMZAKJ-NSOVKSMOSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224368669 571531432 /nfs/dbraw/zinc/53/14/32/571531432.db2.gz RCEVOQVEOKTYBR-WUFINQPMSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224370763 571531945 /nfs/dbraw/zinc/53/19/45/571531945.db2.gz BIWWTMQJOSWUAY-IZLXSDGUSA-N 0 0 535.544 8.096 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224371782 571532145 /nfs/dbraw/zinc/53/21/45/571532145.db2.gz OJQQJPXJKKFXRS-VMPREFPWSA-N 0 0 510.663 6.518 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224372349 571532265 /nfs/dbraw/zinc/53/22/65/571532265.db2.gz UJTZOAIHHPFCSQ-VMPREFPWSA-N 0 0 541.677 6.706 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224372488 571532398 /nfs/dbraw/zinc/53/23/98/571532398.db2.gz CNKOCFUUYJQPEF-URLMMPGGSA-N 0 0 541.677 6.706 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224372588 571532426 /nfs/dbraw/zinc/53/24/26/571532426.db2.gz LNZCIRLMQLMSBS-FQLXRVMXSA-N 0 0 515.126 7.751 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373016 571532541 /nfs/dbraw/zinc/53/25/41/571532541.db2.gz QOMRLGYNHKICHB-WDYNHAJCSA-N 0 0 531.125 7.452 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373049 571532550 /nfs/dbraw/zinc/53/25/50/571532550.db2.gz QOMRLGYNHKICHB-URLMMPGGSA-N 0 0 531.125 7.452 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000223723442 571532842 /nfs/dbraw/zinc/53/28/42/571532842.db2.gz WQNYIJLGZBKFSN-RPWUZVMVSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223723865 571533030 /nfs/dbraw/zinc/53/30/30/571533030.db2.gz BVLJDVQMUPBDOZ-BJKOFHAPSA-N 0 0 527.488 5.177 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725635 571533321 /nfs/dbraw/zinc/53/33/21/571533321.db2.gz OZSBGBCCTXHUTA-VSGBNLITSA-N 0 0 519.715 5.261 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223725938 571533459 /nfs/dbraw/zinc/53/34/59/571533459.db2.gz LYXVMLYFIMVJIC-DNQXCXABSA-N 0 0 517.482 5.722 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000163310925 571535226 /nfs/dbraw/zinc/53/52/26/571535226.db2.gz YAHGIPVLKGJTCU-UHFFFAOYSA-N 0 0 630.216 5.619 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000163315896 571535382 /nfs/dbraw/zinc/53/53/82/571535382.db2.gz SLISLIGPIHIYNV-UHFFFAOYSA-N 0 0 661.186 5.137 40 10 KKCBRN CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])n2-c2ccccc2)cc1 ZINC000163440078 571535389 /nfs/dbraw/zinc/53/53/89/571535389.db2.gz JNJCWGSLGYERIP-UHFFFAOYSA-N 0 0 736.879 9.040 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1 ZINC000224385703 571535462 /nfs/dbraw/zinc/53/54/62/571535462.db2.gz NRGYGGWRHPIBQJ-VMPREFPWSA-N 0 0 524.690 6.576 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224389950 571536192 /nfs/dbraw/zinc/53/61/92/571536192.db2.gz OHXVMVWENTUSHN-WDYNHAJCSA-N 0 0 527.669 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223747836 571537346 /nfs/dbraw/zinc/53/73/46/571537346.db2.gz BTGSTVHTRLMMMP-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223748131 571537481 /nfs/dbraw/zinc/53/74/81/571537481.db2.gz RTCGVQHIWHJAFR-LOYHVIPDSA-N 0 0 539.705 5.511 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224402561 571538568 /nfs/dbraw/zinc/53/85/68/571538568.db2.gz POTAQSPFSADLOZ-JWQCQUIFSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223756419 571538993 /nfs/dbraw/zinc/53/89/93/571538993.db2.gz NTDOTXMLILXJPP-KYJUHHDHSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405157 571539159 /nfs/dbraw/zinc/53/91/59/571539159.db2.gz NQLWXMBATQWREQ-UIOOFZCWSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223757878 571539238 /nfs/dbraw/zinc/53/92/38/571539238.db2.gz BHMMYETZKQCHNA-UIOOFZCWSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223760687 571539648 /nfs/dbraw/zinc/53/96/48/571539648.db2.gz MNRZIJBWHNGOCF-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223763591 571540080 /nfs/dbraw/zinc/54/00/80/571540080.db2.gz ZCZNXEPBWVESDW-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223765906 571540616 /nfs/dbraw/zinc/54/06/16/571540616.db2.gz WFNLXXRWMFTOSX-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223766448 571540788 /nfs/dbraw/zinc/54/07/88/571540788.db2.gz ACKIGKIPAXOHRR-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223767112 571540915 /nfs/dbraw/zinc/54/09/15/571540915.db2.gz WWCXHJDGEUJEMX-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163720025 571541696 /nfs/dbraw/zinc/54/16/96/571541696.db2.gz TYLXJLCYGJTTPA-USDTVRPUSA-N 0 0 677.577 5.114 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163739494 571542391 /nfs/dbraw/zinc/54/23/91/571542391.db2.gz LUPFBYNPCBYVHU-DKOMQPSQSA-N 0 0 654.925 6.708 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163739879 571542394 /nfs/dbraw/zinc/54/23/94/571542394.db2.gz KRJQUUSQMIDOMZ-PLQXQRLBSA-N 0 0 725.958 6.315 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224421530 571542745 /nfs/dbraw/zinc/54/27/45/571542745.db2.gz BXGLUNYHBSLVET-FQLXRVMXSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224421622 571542755 /nfs/dbraw/zinc/54/27/55/571542755.db2.gz BXGLUNYHBSLVET-URLMMPGGSA-N 0 0 527.669 5.642 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)c1 ZINC000223780982 571543068 /nfs/dbraw/zinc/54/30/68/571543068.db2.gz IQGRHBGIQZFHLS-KAYWLYCHSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163879633 571543316 /nfs/dbraw/zinc/54/33/16/571543316.db2.gz RHXKBLGINWBUQR-PQRKSKNISA-N 0 0 709.606 5.057 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000164005828 571544146 /nfs/dbraw/zinc/54/41/46/571544146.db2.gz SYCNOBSKDYSVEB-LCQSEVKBSA-N 0 0 839.921 6.306 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000164104950 571544271 /nfs/dbraw/zinc/54/42/71/571544271.db2.gz BGEXAUCFGCMDCW-UHFFFAOYSA-N 0 0 742.376 7.223 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223791109 571544615 /nfs/dbraw/zinc/54/46/15/571544615.db2.gz XFAMQTRCGDHRJP-SXOMAYOGSA-N 0 0 519.070 6.424 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000224433715 571544952 /nfs/dbraw/zinc/54/49/52/571544952.db2.gz HPLPOJDFFMIIKF-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223794357 571545235 /nfs/dbraw/zinc/54/52/35/571545235.db2.gz FPQZZDBLBRCOCK-IOWSJCHKSA-N 0 0 518.686 7.218 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000223797699 571545831 /nfs/dbraw/zinc/54/58/31/571545831.db2.gz OXGPMKPXUNLTIH-KAYWLYCHSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223798026 571545920 /nfs/dbraw/zinc/54/59/20/571545920.db2.gz FPFBNBXFAZPXMS-SVBPBHIXSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223802077 571546833 /nfs/dbraw/zinc/54/68/33/571546833.db2.gz DUGYWFQOVMFZRT-SXOMAYOGSA-N 0 0 537.516 7.372 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N(C)C1=S ZINC000164428414 571547425 /nfs/dbraw/zinc/54/74/25/571547425.db2.gz PPXJGCFBUOKVCB-UHFFFAOYSA-N 0 0 640.124 5.538 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000164423598 571547499 /nfs/dbraw/zinc/54/74/99/571547499.db2.gz XJVQFDPTMGUJEE-PPOKSSTKSA-N 0 0 660.568 8.327 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc(Br)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164471632 571548723 /nfs/dbraw/zinc/54/87/23/571548723.db2.gz ZGJIJOUKCKCPIX-WTNLLYQRSA-N 0 0 632.536 7.564 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1 ZINC000224450571 571548986 /nfs/dbraw/zinc/54/89/86/571548986.db2.gz CKZMBMAYYPWVFE-FTJBHMTQSA-N 0 0 500.599 5.592 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224451054 571548999 /nfs/dbraw/zinc/54/89/99/571548999.db2.gz ZSIOHOAFKLTPDI-UIOOFZCWSA-N 0 0 500.599 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224454755 571549733 /nfs/dbraw/zinc/54/97/33/571549733.db2.gz MXJAETNFVOGCGK-JWQCQUIFSA-N 0 0 527.015 7.338 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164544889 571549824 /nfs/dbraw/zinc/54/98/24/571549824.db2.gz IRXYPTJGSYTYLR-PLNPHXOGSA-N 0 0 668.613 6.114 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224454887 571549904 /nfs/dbraw/zinc/54/99/04/571549904.db2.gz MXJAETNFVOGCGK-DQEYMECFSA-N 0 0 527.015 7.338 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cc(I)cc(I)c3O)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000164803331 571551114 /nfs/dbraw/zinc/55/11/14/571551114.db2.gz DERIHJBQPVJLNN-UHFFFAOYSA-N 0 0 680.305 5.967 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000164801898 571551116 /nfs/dbraw/zinc/55/11/16/571551116.db2.gz NRAWZBSVXORWAS-UHFFFAOYSA-N 0 0 674.560 7.244 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000164791416 571551124 /nfs/dbraw/zinc/55/11/24/571551124.db2.gz LVKSKJBJYXJUFE-UHFFFAOYSA-N 0 0 686.546 7.778 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164804750 571551127 /nfs/dbraw/zinc/55/11/27/571551127.db2.gz KUTBEGRJGBKNSM-UHFFFAOYSA-N 0 0 680.382 8.544 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164796317 571551146 /nfs/dbraw/zinc/55/11/46/571551146.db2.gz YOUHDVMBEDYAKM-WYEJZRMESA-N 0 0 657.173 8.775 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164807507 571551263 /nfs/dbraw/zinc/55/12/63/571551263.db2.gz DXUUQCUVBSNEDJ-UHFFFAOYSA-N 0 0 710.477 9.099 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164812493 571551355 /nfs/dbraw/zinc/55/13/55/571551355.db2.gz CEYWLDPESCFDOI-UHFFFAOYSA-N 0 0 706.964 8.123 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224463440 571551789 /nfs/dbraw/zinc/55/17/89/571551789.db2.gz YEMNHGPQHFLBTQ-LOSJGSFVSA-N 0 0 527.015 7.338 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224463481 571551873 /nfs/dbraw/zinc/55/18/73/571551873.db2.gz YEMNHGPQHFLBTQ-DQEYMECFSA-N 0 0 527.015 7.338 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224465228 571552116 /nfs/dbraw/zinc/55/21/16/571552116.db2.gz NEEDDSDLMRHJLQ-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224465387 571552286 /nfs/dbraw/zinc/55/22/86/571552286.db2.gz IJSAHNSJOXVWKT-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224469311 571553244 /nfs/dbraw/zinc/55/32/44/571553244.db2.gz TWROYSRQMMRLDM-UIOOFZCWSA-N 0 0 534.041 6.236 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223822025 571556359 /nfs/dbraw/zinc/55/63/59/571556359.db2.gz YGFLVBDPTQNTGS-JDXGNMNLSA-N 0 0 510.707 6.990 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223822849 571556541 /nfs/dbraw/zinc/55/65/41/571556541.db2.gz GZSLHWNEADYISF-IZLXSDGUSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223822907 571556548 /nfs/dbraw/zinc/55/65/48/571556548.db2.gz GZSLHWNEADYISF-WUFINQPMSA-N 0 0 543.649 5.982 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224489831 571558553 /nfs/dbraw/zinc/55/85/53/571558553.db2.gz IZNSYWBXUQADEF-LOSJGSFVSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C)c1 ZINC000224494093 571559722 /nfs/dbraw/zinc/55/97/22/571559722.db2.gz ZWVILSQYCXXQRV-CLJLJLNGSA-N 0 0 517.496 6.737 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224494962 571559862 /nfs/dbraw/zinc/55/98/62/571559862.db2.gz BJYXXBLLLDZPDH-RRPNLBNLSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224496775 571560334 /nfs/dbraw/zinc/56/03/34/571560334.db2.gz KZCJDFZCZUEVPH-LOSJGSFVSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224497215 571560414 /nfs/dbraw/zinc/56/04/14/571560414.db2.gz KXZGRHRKJQYZCQ-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223845468 571560641 /nfs/dbraw/zinc/56/06/41/571560641.db2.gz CLBIIAPZCGVZBI-URLMMPGGSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224498277 571560755 /nfs/dbraw/zinc/56/07/55/571560755.db2.gz SYMITRKOLSOGHI-KAYWLYCHSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224498327 571560844 /nfs/dbraw/zinc/56/08/44/571560844.db2.gz SYMITRKOLSOGHI-SXOMAYOGSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224499825 571561211 /nfs/dbraw/zinc/56/12/11/571561211.db2.gz ABYGESZIKAPAHT-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224500849 571561435 /nfs/dbraw/zinc/56/14/35/571561435.db2.gz FDYGQGVCVCOJGZ-FTJBHMTQSA-N 0 0 551.941 7.391 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224501294 571561633 /nfs/dbraw/zinc/56/16/33/571561633.db2.gz AFESRQKWUGWPMY-FTJBHMTQSA-N 0 0 578.492 6.346 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502237 571561842 /nfs/dbraw/zinc/56/18/42/571561842.db2.gz YCMHHHOQYLGKJF-UIOOFZCWSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ncccc1C ZINC000224502784 571561986 /nfs/dbraw/zinc/56/19/86/571561986.db2.gz RZKZGZMFJFDXGH-BJKOFHAPSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Br ZINC000223858476 571563037 /nfs/dbraw/zinc/56/30/37/571563037.db2.gz OBNGWNAEPXIGEM-LOSJGSFVSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000197908129 571566084 /nfs/dbraw/zinc/56/60/84/571566084.db2.gz HMXGIRIUJISCME-YNMQQHPQSA-N 0 0 572.528 5.156 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224532566 571567996 /nfs/dbraw/zinc/56/79/96/571567996.db2.gz NOGARVIQCAYVMX-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223889878 571568917 /nfs/dbraw/zinc/56/89/17/571568917.db2.gz VXLMGIMARZTRFR-KAYWLYCHSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223896472 571570142 /nfs/dbraw/zinc/57/01/42/571570142.db2.gz VZFWTXGGNLDJMJ-RRPNLBNLSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223901105 571571202 /nfs/dbraw/zinc/57/12/02/571571202.db2.gz ACTHEIMSCJQVJZ-MFMCTBQISA-N 0 0 509.723 6.658 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902763 571571665 /nfs/dbraw/zinc/57/16/65/571571665.db2.gz IPBZOEQWMKJTKR-NSOVKSMOSA-N 0 0 542.665 5.649 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224551634 571572742 /nfs/dbraw/zinc/57/27/42/571572742.db2.gz BUGNJSZRCKZKIN-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000206910738 571573080 /nfs/dbraw/zinc/57/30/80/571573080.db2.gz CDOWPKAGAWCXNY-OEAKJJBVSA-N 0 0 559.496 6.517 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000206911654 571573092 /nfs/dbraw/zinc/57/30/92/571573092.db2.gz LGVCDWQYCDNNCD-FYJGNVAPSA-N 0 0 515.443 6.119 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21 ZINC000208255869 571573574 /nfs/dbraw/zinc/57/35/74/571573574.db2.gz AAXKGPWXOGFHIE-LKEIMFIWSA-N 0 0 502.011 5.876 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21 ZINC000208255951 571573647 /nfs/dbraw/zinc/57/36/47/571573647.db2.gz YYCZJLGVPIUHFY-LKEIMFIWSA-N 0 0 502.011 5.876 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000224555887 571573672 /nfs/dbraw/zinc/57/36/72/571573672.db2.gz DGNLJFZVTTVHMG-CLJLJLNGSA-N 0 0 522.596 6.694 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)c1 ZINC000208423731 571574308 /nfs/dbraw/zinc/57/43/08/571574308.db2.gz ASPTYXJQCZTNBL-WOSHRIRTSA-N 0 0 592.696 5.429 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000208393540 571574355 /nfs/dbraw/zinc/57/43/55/571574355.db2.gz MOUSTYHWFJGUMV-JOHYPREOSA-N 0 0 637.733 5.499 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208443377 571574509 /nfs/dbraw/zinc/57/45/09/571574509.db2.gz QHTZPQMFXDXNLD-MTJSOVHGSA-N 0 0 526.456 5.756 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1C ZINC000208468935 571574510 /nfs/dbraw/zinc/57/45/10/571574510.db2.gz UNISPKHMLHSQJX-KSEXSDGBSA-N 0 0 510.059 6.264 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21 ZINC000208468409 571574515 /nfs/dbraw/zinc/57/45/15/571574515.db2.gz RHBPBTYCVYNFLL-NKVSQWTQSA-N 0 0 516.450 6.300 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208531532 571574598 /nfs/dbraw/zinc/57/45/98/571574598.db2.gz GAATUMNDQAOHTR-QRVIBDJDSA-N 0 0 554.510 6.454 40 10 KKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000208526890 571574683 /nfs/dbraw/zinc/57/46/83/571574683.db2.gz MASKXNSGSHLIBF-UCQKPKSFSA-N 0 0 523.998 6.481 40 10 KKCBRN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000208639791 571574688 /nfs/dbraw/zinc/57/46/88/571574688.db2.gz BTNJDEDCCIZBKQ-KSEXSDGBSA-N 0 0 512.849 7.732 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208531681 571574689 /nfs/dbraw/zinc/57/46/89/571574689.db2.gz LBVSKSRGUNFHFU-OYKKKHCWSA-N 0 0 505.640 5.700 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000208656875 571574842 /nfs/dbraw/zinc/57/48/42/571574842.db2.gz YUXKQSAUVJCNBW-WQRHYEAKSA-N 0 0 543.423 5.629 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000208671792 571574960 /nfs/dbraw/zinc/57/49/60/571574960.db2.gz TVIPLFCEPJCXPQ-YVNNLAQVSA-N 0 0 536.889 7.640 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208726242 571575064 /nfs/dbraw/zinc/57/50/64/571575064.db2.gz PNKGGTYLYKLDHB-YUMHPJSZSA-N 0 0 590.564 8.213 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000208723774 571575082 /nfs/dbraw/zinc/57/50/82/571575082.db2.gz YFNDEQQXHPCQPI-JCMHNJIXSA-N 0 0 508.577 6.218 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208723808 571575093 /nfs/dbraw/zinc/57/50/93/571575093.db2.gz HPSLMMYMQOZSTE-MYYYXRDXSA-N 0 0 607.507 7.504 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208710388 571575112 /nfs/dbraw/zinc/57/51/12/571575112.db2.gz SIXKFCWWMZEDPQ-UUYOSTAYSA-N 0 0 520.434 7.126 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223917484 571575162 /nfs/dbraw/zinc/57/51/62/571575162.db2.gz BUWWUVHXGKFKEF-WUFINQPMSA-N 0 0 525.678 5.519 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223921539 571575693 /nfs/dbraw/zinc/57/56/93/571575693.db2.gz FFFMPENVIFEAON-CZNDPXEESA-N 0 0 594.785 5.339 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223921660 571575707 /nfs/dbraw/zinc/57/57/07/571575707.db2.gz FFFMPENVIFEAON-LQJZCPKCSA-N 0 0 594.785 5.339 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569931 571576774 /nfs/dbraw/zinc/57/67/74/571576774.db2.gz DVECFTGUMQCYRM-XZWHSSHBSA-N 0 0 525.722 6.521 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000223931713 571577786 /nfs/dbraw/zinc/57/77/86/571577786.db2.gz CBPVUPUSPDIWQP-KYJUHHDHSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 ZINC000223931180 571577842 /nfs/dbraw/zinc/57/78/42/571577842.db2.gz SUZQEDAJRGXTGQ-URLMMPGGSA-N 0 0 509.679 5.503 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000214170631 571577920 /nfs/dbraw/zinc/57/79/20/571577920.db2.gz DOAYNVONEIXZEM-WGOQTCKBSA-N 0 0 507.055 7.002 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223932095 571578013 /nfs/dbraw/zinc/57/80/13/571578013.db2.gz LHUOBKIDDGGFMB-WDYNHAJCSA-N 0 0 577.676 6.522 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000223933482 571578336 /nfs/dbraw/zinc/57/83/36/571578336.db2.gz QPATWKOXXUWIHT-FQLXRVMXSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000223935233 571578506 /nfs/dbraw/zinc/57/85/06/571578506.db2.gz YJQPPGUHWYSPNR-FQLXRVMXSA-N 0 0 525.678 5.208 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223936638 571578898 /nfs/dbraw/zinc/57/88/98/571578898.db2.gz SGOAXYSGDOFVGB-FIRIVFDPSA-N 0 0 552.748 5.569 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223938547 571579292 /nfs/dbraw/zinc/57/92/92/571579292.db2.gz UMQKAUPPLBCECB-IOWSJCHKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223938677 571579363 /nfs/dbraw/zinc/57/93/63/571579363.db2.gz QQSZNXSAMRYBSU-LOYHVIPDSA-N 0 0 553.688 5.232 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223956451 571583352 /nfs/dbraw/zinc/58/33/52/571583352.db2.gz MZAPCBCIINWZAR-KYJUHHDHSA-N 0 0 567.715 5.289 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606553 571585240 /nfs/dbraw/zinc/58/52/40/571585240.db2.gz BOIKIONOXIKOQV-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224608315 571585714 /nfs/dbraw/zinc/58/57/14/571585714.db2.gz SUXWEYYZFAWXCR-CLJLJLNGSA-N 0 0 515.595 5.289 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223971139 571586141 /nfs/dbraw/zinc/58/61/41/571586141.db2.gz HDHVJBSCVZSCCJ-CONSDPRKSA-N 0 0 531.685 6.778 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223971184 571586214 /nfs/dbraw/zinc/58/62/14/571586214.db2.gz HDHVJBSCVZSCCJ-JSOSNVBQSA-N 0 0 531.685 6.778 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(=O)(=O)c5ccc(OC)c(C)c5)ccc4s3)CC2)cc1 ZINC000215870667 571586480 /nfs/dbraw/zinc/58/64/80/571586480.db2.gz HOZVCRSZRPMQBT-UHFFFAOYSA-N 0 0 565.717 5.014 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000223978281 571587636 /nfs/dbraw/zinc/58/76/36/571587636.db2.gz GQYVTKZSJOZLQK-VMPREFPWSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000223978438 571587674 /nfs/dbraw/zinc/58/76/74/571587674.db2.gz GQYVTKZSJOZLQK-FQLXRVMXSA-N 0 0 509.679 6.241 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223979298 571587783 /nfs/dbraw/zinc/58/77/83/571587783.db2.gz XMYYHIICWZGDAM-IZLXSDGUSA-N 0 0 525.634 5.353 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981145 571588331 /nfs/dbraw/zinc/58/83/31/571588331.db2.gz UNJINYNMMWIVOK-VSGBNLITSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224627180 571589976 /nfs/dbraw/zinc/58/99/76/571589976.db2.gz VUKFTHFTIATGOH-PXLJZGITSA-N 0 0 601.776 7.295 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224634707 571591392 /nfs/dbraw/zinc/59/13/92/571591392.db2.gz RGWHWHSZJIKORX-OIDHKYIRSA-N 0 0 566.730 8.612 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000224635462 571591644 /nfs/dbraw/zinc/59/16/44/571591644.db2.gz VCPRCHDEDHKMAH-ZWXJPIIXSA-N 0 0 530.697 7.767 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223996501 571591916 /nfs/dbraw/zinc/59/19/16/571591916.db2.gz QKEOTLUXZIIZAA-WUFINQPMSA-N 0 0 539.661 5.411 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223996905 571591995 /nfs/dbraw/zinc/59/19/95/571591995.db2.gz QDVURCJLKCWZRC-IZLXSDGUSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224636844 571592113 /nfs/dbraw/zinc/59/21/13/571592113.db2.gz VNIUIZSLNAIMFN-IOWSJCHKSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224637163 571592147 /nfs/dbraw/zinc/59/21/47/571592147.db2.gz BXTODWOXKFFLBH-FIRIVFDPSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224637001 571592153 /nfs/dbraw/zinc/59/21/53/571592153.db2.gz KVYBBZHLIRQCQN-JSOSNVBQSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224637195 571592214 /nfs/dbraw/zinc/59/22/14/571592214.db2.gz BXTODWOXKFFLBH-JSOSNVBQSA-N 0 0 551.115 8.112 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000224638218 571592588 /nfs/dbraw/zinc/59/25/88/571592588.db2.gz NZWQPOLBRGKRIW-FIRIVFDPSA-N 0 0 532.669 7.164 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224640118 571592942 /nfs/dbraw/zinc/59/29/42/571592942.db2.gz OOCGRSZHIMBFLB-JSOSNVBQSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224640361 571593029 /nfs/dbraw/zinc/59/30/29/571593029.db2.gz PAKIGSSHWGNMCK-IOWSJCHKSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224001659 571593131 /nfs/dbraw/zinc/59/31/31/571593131.db2.gz NBVRDBHLVUSRPS-FTJBHMTQSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224640759 571593182 /nfs/dbraw/zinc/59/31/82/571593182.db2.gz RAKXWZLBQWJINS-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224641408 571593298 /nfs/dbraw/zinc/59/32/98/571593298.db2.gz LUIHQALMJGIXPP-AJQTZOPKSA-N 0 0 560.679 7.187 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224641951 571593303 /nfs/dbraw/zinc/59/33/03/571593303.db2.gz OQUUYVWAZIBUQX-ROJLCIKYSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224641740 571593336 /nfs/dbraw/zinc/59/33/36/571593336.db2.gz FSUSVYGLDCWRNF-ROJLCIKYSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642914 571593404 /nfs/dbraw/zinc/59/34/04/571593404.db2.gz UGLDHLAWKUCNIR-AJQTZOPKSA-N 0 0 581.141 8.121 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000224643650 571593626 /nfs/dbraw/zinc/59/36/26/571593626.db2.gz ZRGQGTXBDBRSFJ-LOYHVIPDSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc21 ZINC000224010697 571594659 /nfs/dbraw/zinc/59/46/59/571594659.db2.gz BXCOIPQHOCBALT-XZWHSSHBSA-N 0 0 518.642 6.548 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(F)(F)F ZINC000224012306 571595025 /nfs/dbraw/zinc/59/50/25/571595025.db2.gz SFZGPMWLWBKTIZ-FTJBHMTQSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 ZINC000224014066 571595362 /nfs/dbraw/zinc/59/53/62/571595362.db2.gz PDJYRTUSCFXXKP-IZZNHLLZSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224017551 571596061 /nfs/dbraw/zinc/59/60/61/571596061.db2.gz RCVGXXDKDNKCJG-FTJBHMTQSA-N 0 0 537.472 6.702 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1c(C)cc(C)cc1C ZINC000224018879 571596194 /nfs/dbraw/zinc/59/61/94/571596194.db2.gz CNILPUXOCKMFSQ-XRKRLSELSA-N 0 0 510.663 6.320 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224018809 571596226 /nfs/dbraw/zinc/59/62/26/571596226.db2.gz REYCSMNPVOHCHI-SVBPBHIXSA-N 0 0 512.591 5.124 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1c(C)cc(C)cc1C ZINC000224019037 571596281 /nfs/dbraw/zinc/59/62/81/571596281.db2.gz CNILPUXOCKMFSQ-YTMVLYRLSA-N 0 0 510.663 6.320 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224655479 571596542 /nfs/dbraw/zinc/59/65/42/571596542.db2.gz NSBVHMXTLSGGMU-ZWXJPIIXSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224655680 571596579 /nfs/dbraw/zinc/59/65/79/571596579.db2.gz DYZCCVLNDKUQSI-ZWXJPIIXSA-N 0 0 574.706 7.245 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224664686 571598658 /nfs/dbraw/zinc/59/86/58/571598658.db2.gz IEVYUWPWGOQLSN-ROJLCIKYSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224668068 571599164 /nfs/dbraw/zinc/59/91/64/571599164.db2.gz ZIYIWPYACFANRB-XDSPJLLDSA-N 0 0 580.757 8.920 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C ZINC000224668863 571599358 /nfs/dbraw/zinc/59/93/58/571599358.db2.gz WYVIKYYFSIXVOS-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(F)c1 ZINC000224670181 571599509 /nfs/dbraw/zinc/59/95/09/571599509.db2.gz OMRNZAUFDGNIHE-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1F ZINC000224670031 571599564 /nfs/dbraw/zinc/59/95/64/571599564.db2.gz KIHQXQFKAOIIRS-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224671035 571599623 /nfs/dbraw/zinc/59/96/23/571599623.db2.gz SYJPQTIBOFVACX-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224670476 571599646 /nfs/dbraw/zinc/59/96/46/571599646.db2.gz GJVSRJJXMPXPJT-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224670516 571599703 /nfs/dbraw/zinc/59/97/03/571599703.db2.gz GJVSRJJXMPXPJT-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224672351 571599988 /nfs/dbraw/zinc/59/99/88/571599988.db2.gz UHVPSUQSHRHIGA-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224675597 571600802 /nfs/dbraw/zinc/60/08/02/571600802.db2.gz BSTJAXKUKOFDOO-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224675649 571600819 /nfs/dbraw/zinc/60/08/19/571600819.db2.gz BSTJAXKUKOFDOO-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224675804 571600905 /nfs/dbraw/zinc/60/09/05/571600905.db2.gz SOVHWPZTLCYXSZ-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676606 571601161 /nfs/dbraw/zinc/60/11/61/571601161.db2.gz JHBDDAXLULPTSH-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224052778 571602449 /nfs/dbraw/zinc/60/24/49/571602449.db2.gz ZHIQEOQQHNRWHA-IZLXSDGUSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224052412 571602491 /nfs/dbraw/zinc/60/24/91/571602491.db2.gz OVNJHRJVKWIWHL-VSGBNLITSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224053007 571602683 /nfs/dbraw/zinc/60/26/83/571602683.db2.gz WHMHEKDTWCQEDB-IZLXSDGUSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224054052 571602850 /nfs/dbraw/zinc/60/28/50/571602850.db2.gz RXHLBBWOTQLOGK-VSGBNLITSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000224054985 571603001 /nfs/dbraw/zinc/60/30/01/571603001.db2.gz YCTKFEPGCSGKBV-FQLXRVMXSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000224055059 571603092 /nfs/dbraw/zinc/60/30/92/571603092.db2.gz GTVIYLSYOFKDNU-VMPREFPWSA-N 0 0 563.123 6.353 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)c1 ZINC000224689863 571604941 /nfs/dbraw/zinc/60/49/41/571604941.db2.gz MAFSUZWBUVFICV-LQJZCPKCSA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccn1 ZINC000224696781 571606158 /nfs/dbraw/zinc/60/61/58/571606158.db2.gz PPRDXSZZCOUYIS-FIRIVFDPSA-N 0 0 531.685 7.162 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224704072 571606857 /nfs/dbraw/zinc/60/68/57/571606857.db2.gz WPDVHCITNSYFFG-HEVIKAOCSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224704455 571606870 /nfs/dbraw/zinc/60/68/70/571606870.db2.gz HTZSLIBTBIUDRI-AJQTZOPKSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224703584 571606872 /nfs/dbraw/zinc/60/68/72/571606872.db2.gz RTERXNWZJSDBBS-ZWXJPIIXSA-N 0 0 598.694 8.786 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224705024 571606961 /nfs/dbraw/zinc/60/69/61/571606961.db2.gz KOFNBTFFSYRIPV-ZWXJPIIXSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)c1 ZINC000224706517 571607102 /nfs/dbraw/zinc/60/71/02/571607102.db2.gz PHXLSYSFBHDOIP-JHOUSYSJSA-N 0 0 560.723 7.776 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224706312 571607133 /nfs/dbraw/zinc/60/71/33/571607133.db2.gz MPUJVUNOPBVOAD-AJQTZOPKSA-N 0 0 546.696 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224079931 571607213 /nfs/dbraw/zinc/60/72/13/571607213.db2.gz DTOLXXDMSBJKGY-WDYNHAJCSA-N 0 0 591.703 7.588 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224707868 571607299 /nfs/dbraw/zinc/60/72/99/571607299.db2.gz QXFLZFMHWBTPCD-ZWXJPIIXSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224708546 571607473 /nfs/dbraw/zinc/60/74/73/571607473.db2.gz FMFVTDNEIKXMHJ-SZAHLOSFSA-N 0 0 558.751 8.384 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224709686 571607837 /nfs/dbraw/zinc/60/78/37/571607837.db2.gz COSOTIWOGCZPJC-SAIUNTKASA-N 0 0 605.720 7.684 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224709772 571607862 /nfs/dbraw/zinc/60/78/62/571607862.db2.gz COSOTIWOGCZPJC-LQJZCPKCSA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710767 571608001 /nfs/dbraw/zinc/60/80/01/571608001.db2.gz ACMKOKLORZAIIJ-JHOUSYSJSA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224088672 571608325 /nfs/dbraw/zinc/60/83/25/571608325.db2.gz RVMOWQVEHAUKMW-CZNDPXEESA-N 0 0 573.766 7.722 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224089984 571608380 /nfs/dbraw/zinc/60/83/80/571608380.db2.gz OTGQQOOZIYRGCQ-KYJUHHDHSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1 ZINC000224089508 571608400 /nfs/dbraw/zinc/60/84/00/571608400.db2.gz NTJQDQBJNHLKSV-VMPREFPWSA-N 0 0 523.706 6.569 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224091201 571608633 /nfs/dbraw/zinc/60/86/33/571608633.db2.gz YTZWZJKIMXTKFH-FQLXRVMXSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224091994 571608698 /nfs/dbraw/zinc/60/86/98/571608698.db2.gz CWBLZRUTNFYYTF-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000224091580 571608742 /nfs/dbraw/zinc/60/87/42/571608742.db2.gz NYCFEYOZELSANR-VMPREFPWSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224092640 571608807 /nfs/dbraw/zinc/60/88/07/571608807.db2.gz YXXWOXMVZSFQGS-WDYNHAJCSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224092261 571608823 /nfs/dbraw/zinc/60/88/23/571608823.db2.gz MLVYLHLIROHODO-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1O ZINC000224093128 571608926 /nfs/dbraw/zinc/60/89/26/571608926.db2.gz XNORSWSSRFVLKR-WDYNHAJCSA-N 0 0 539.705 6.275 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224095277 571609213 /nfs/dbraw/zinc/60/92/13/571609213.db2.gz FWHBQWXFBQKEOW-VMPREFPWSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224095411 571609233 /nfs/dbraw/zinc/60/92/33/571609233.db2.gz QULQVSXZCCQKOS-WDYNHAJCSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224096652 571609441 /nfs/dbraw/zinc/60/94/41/571609441.db2.gz BVVZXFPAMNIUSY-KYJUHHDHSA-N 0 0 567.715 6.298 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224097730 571609594 /nfs/dbraw/zinc/60/95/94/571609594.db2.gz XVTUERSJIUDZHL-IHLOFXLRSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000224723280 571610790 /nfs/dbraw/zinc/61/07/90/571610790.db2.gz ZYRGNWTVCIYLQZ-CONSDPRKSA-N 0 0 516.670 7.459 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224724141 571610897 /nfs/dbraw/zinc/61/08/97/571610897.db2.gz DZZOLGJLOYRBTD-CZNDPXEESA-N 0 0 588.733 7.554 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224113995 571611455 /nfs/dbraw/zinc/61/14/55/571611455.db2.gz CZZAADQYBUUZFG-IHLOFXLRSA-N 0 0 581.742 6.356 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc5ccccc54)c3C)cc2)cc1 ZINC000224736304 571612423 /nfs/dbraw/zinc/61/24/23/571612423.db2.gz SZKUOWGVHZYMEZ-ZPGRZCPFSA-N 0 0 596.756 8.620 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 ZINC000224737007 571612469 /nfs/dbraw/zinc/61/24/69/571612469.db2.gz IVEUMZHXXIAGSC-AJQTZOPKSA-N 0 0 546.696 7.467 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 ZINC000224737317 571612551 /nfs/dbraw/zinc/61/25/51/571612551.db2.gz LSWKNEVWZMPDJQ-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224737888 571612573 /nfs/dbraw/zinc/61/25/73/571612573.db2.gz HNUNJCCESSDZBV-KKLWWLSJSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4F)c3C)cc2)cc1 ZINC000224738415 571612622 /nfs/dbraw/zinc/61/26/22/571612622.db2.gz HHOLUBZOMODJLV-ROJLCIKYSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 ZINC000224739224 571612662 /nfs/dbraw/zinc/61/26/62/571612662.db2.gz NNZKKFANDIPHIV-ROJLCIKYSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4Br)c3C)cc2)cc1 ZINC000224739499 571612663 /nfs/dbraw/zinc/61/26/63/571612663.db2.gz AQSXXDYGRDJVME-ACHIHNKUSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 ZINC000224738726 571612667 /nfs/dbraw/zinc/61/26/67/571612667.db2.gz VTKJGIHFQOKHMZ-ZWXJPIIXSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)cc1 ZINC000224739962 571612734 /nfs/dbraw/zinc/61/27/34/571612734.db2.gz IPFRWKIZEVBEKA-ZWXJPIIXSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(OC)c4)c3C)cc2)cc1 ZINC000224741164 571612836 /nfs/dbraw/zinc/61/28/36/571612836.db2.gz KWHIKRSZRPHPLW-CZNDPXEESA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)cc2)cc1 ZINC000224742047 571612847 /nfs/dbraw/zinc/61/28/47/571612847.db2.gz KPCUROKYRYWRBK-HEVIKAOCSA-N 0 0 589.765 7.533 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)cc1 ZINC000224742761 571612911 /nfs/dbraw/zinc/61/29/11/571612911.db2.gz SLESKMMHZQJAHZ-AJQTZOPKSA-N 0 0 615.586 8.774 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)cc2)cc1 ZINC000224744296 571613060 /nfs/dbraw/zinc/61/30/60/571613060.db2.gz YNCASXIDUACULL-LQJZCPKCSA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)cc2)cc1 ZINC000224744435 571613106 /nfs/dbraw/zinc/61/31/06/571613106.db2.gz YNCASXIDUACULL-CZNDPXEESA-N 0 0 621.719 7.384 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)cc2)cc1 ZINC000224744581 571613115 /nfs/dbraw/zinc/61/31/15/571613115.db2.gz UTBOHIJQKULTCE-JHOUSYSJSA-N 0 0 621.719 7.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224762691 571614818 /nfs/dbraw/zinc/61/48/18/571614818.db2.gz UYUMYXFAIQEFPH-PXLJZGITSA-N 0 0 662.841 7.562 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224767356 571615227 /nfs/dbraw/zinc/61/52/27/571615227.db2.gz QRZZZHDZRWSALM-IOWSJCHKSA-N 0 0 628.179 8.085 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224772028 571615624 /nfs/dbraw/zinc/61/56/24/571615624.db2.gz FZCMNQLVWGIURY-CONSDPRKSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224771746 571615631 /nfs/dbraw/zinc/61/56/31/571615631.db2.gz CYDZCSXZGCBUHB-ZWXJPIIXSA-N 0 0 591.762 8.034 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224773249 571615738 /nfs/dbraw/zinc/61/57/38/571615738.db2.gz TUCRRLVERIPVCL-CONSDPRKSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224773419 571615815 /nfs/dbraw/zinc/61/58/15/571615815.db2.gz KHOAXUDOJYGHEE-IOWSJCHKSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224773738 571615816 /nfs/dbraw/zinc/61/58/16/571615816.db2.gz BRTUXUAUMHYQQN-FIRIVFDPSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224774712 571615881 /nfs/dbraw/zinc/61/58/81/571615881.db2.gz KZRIATSULKDRJZ-CONSDPRKSA-N 0 0 593.734 7.431 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224776422 571616086 /nfs/dbraw/zinc/61/60/86/571616086.db2.gz RWOXRYQYGGJFSC-FIRIVFDPSA-N 0 0 646.625 9.032 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224778445 571616227 /nfs/dbraw/zinc/61/62/27/571616227.db2.gz BAMIWTFKRIFXSC-ZWXJPIIXSA-N 0 0 626.207 8.687 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779299 571616266 /nfs/dbraw/zinc/61/62/66/571616266.db2.gz RMMYZLTWVADVOG-TWJUONSBSA-N 0 0 619.816 8.596 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224779888 571616294 /nfs/dbraw/zinc/61/62/94/571616294.db2.gz AAWDVVBUFWOVTL-CONSDPRKSA-N 0 0 592.750 7.429 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224792237 571617575 /nfs/dbraw/zinc/61/75/75/571617575.db2.gz UZWALIKQNXLYOG-AJQTZOPKSA-N 0 0 635.771 7.512 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224805410 571618783 /nfs/dbraw/zinc/61/87/83/571618783.db2.gz PTEWROIQUTVUJJ-VMPREFPWSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 ZINC000224806313 571618876 /nfs/dbraw/zinc/61/88/76/571618876.db2.gz JQRLDSRCOGXDPQ-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 ZINC000224806364 571618915 /nfs/dbraw/zinc/61/89/15/571618915.db2.gz JQRLDSRCOGXDPQ-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c(OC)c1 ZINC000224807017 571618959 /nfs/dbraw/zinc/61/89/59/571618959.db2.gz CZYYFFUSUYAQOT-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c(OC)c1 ZINC000224807876 571619007 /nfs/dbraw/zinc/61/90/07/571619007.db2.gz RTYGHAGSERSEGH-KAYWLYCHSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224807944 571619014 /nfs/dbraw/zinc/61/90/14/571619014.db2.gz PEYWHWGNLHPIRI-VSGBNLITSA-N 0 0 514.651 5.692 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809209 571619161 /nfs/dbraw/zinc/61/91/61/571619161.db2.gz ACTOIVVPDDAXGN-IOWSJCHKSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c(OC)c1 ZINC000224809764 571619216 /nfs/dbraw/zinc/61/92/16/571619216.db2.gz RAEBGUUDZCTBGC-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c(OC)c1 ZINC000224809928 571619230 /nfs/dbraw/zinc/61/92/30/571619230.db2.gz CLKCOEAZCDGZFC-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c(OC)c1 ZINC000224810012 571619242 /nfs/dbraw/zinc/61/92/42/571619242.db2.gz CLKCOEAZCDGZFC-URLMMPGGSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c(OC)c1 ZINC000224810214 571619290 /nfs/dbraw/zinc/61/92/90/571619290.db2.gz DJJXURBHCDOPEQ-LMSSTIIKSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(OC)c1 ZINC000224811145 571619324 /nfs/dbraw/zinc/61/93/24/571619324.db2.gz WVQMTJYXYPZGCP-NSOVKSMOSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c(OC)c1 ZINC000224811478 571619394 /nfs/dbraw/zinc/61/93/94/571619394.db2.gz SYAPPQGTGCJUTA-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c(OC)c1 ZINC000224812254 571619470 /nfs/dbraw/zinc/61/94/70/571619470.db2.gz AOEHCMAGGUZMID-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224824105 571620595 /nfs/dbraw/zinc/62/05/95/571620595.db2.gz KDCFRLAMDQYFSZ-KAYWLYCHSA-N 0 0 500.624 5.384 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000224830092 571621251 /nfs/dbraw/zinc/62/12/51/571621251.db2.gz OVXVAOZTTSXONJ-SXOMAYOGSA-N 0 0 500.668 5.908 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224836574 571621919 /nfs/dbraw/zinc/62/19/19/571621919.db2.gz DLEUWROUXSWNSH-JSOSNVBQSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224837888 571622014 /nfs/dbraw/zinc/62/20/14/571622014.db2.gz QXZMIHAOLCUJPW-SVBPBHIXSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224842061 571622484 /nfs/dbraw/zinc/62/24/84/571622484.db2.gz IBJXLKMGUIKRJX-RRPNLBNLSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1 ZINC000224843420 571622582 /nfs/dbraw/zinc/62/25/82/571622582.db2.gz CCDXJXHZVUNLOL-MFMCTBQISA-N 0 0 526.706 6.609 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224844576 571622597 /nfs/dbraw/zinc/62/25/97/571622597.db2.gz NWPLZZYWMCIAAT-IZLXSDGUSA-N 0 0 549.096 6.345 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224844814 571622666 /nfs/dbraw/zinc/62/26/66/571622666.db2.gz ABXIPJJCGVMDAF-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224856555 571623699 /nfs/dbraw/zinc/62/36/99/571623699.db2.gz HGGUKTVNIQQNKZ-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224856775 571623723 /nfs/dbraw/zinc/62/37/23/571623723.db2.gz ALXFVUFEXKXBBK-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224870586 571625183 /nfs/dbraw/zinc/62/51/83/571625183.db2.gz PPFQTRJCCBPBLG-DQEYMECFSA-N 0 0 553.913 6.788 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224871250 571625255 /nfs/dbraw/zinc/62/52/55/571625255.db2.gz WNVWZJGGHBLTKW-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872100 571625364 /nfs/dbraw/zinc/62/53/64/571625364.db2.gz ZRJAQLAWRCOZIH-FQLXRVMXSA-N 0 0 546.140 6.871 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(Cl)c1C ZINC000224873781 571625549 /nfs/dbraw/zinc/62/55/49/571625549.db2.gz BZIMFUGSYJWNQT-IZZNHLLZSA-N 0 0 523.489 6.987 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873415 571625573 /nfs/dbraw/zinc/62/55/73/571625573.db2.gz DOKLPSPSMXGEGQ-IZZNHLLZSA-N 0 0 519.026 5.754 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224874095 571625601 /nfs/dbraw/zinc/62/56/01/571625601.db2.gz MLOUFHZTASOQJR-FTJBHMTQSA-N 0 0 550.040 5.942 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874734 571625675 /nfs/dbraw/zinc/62/56/75/571625675.db2.gz PMDCVJDCLKMZHL-CLJLJLNGSA-N 0 0 550.040 5.942 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224875023 571625750 /nfs/dbraw/zinc/62/57/50/571625750.db2.gz OVQSBCSGMMUNFF-XCZPVHLTSA-N 0 0 517.098 6.896 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224886496 571626795 /nfs/dbraw/zinc/62/67/95/571626795.db2.gz CSXMITXEZHKMCD-FTJBHMTQSA-N 0 0 533.053 5.812 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224893999 571627513 /nfs/dbraw/zinc/62/75/13/571627513.db2.gz MNVQATSLXXYKTN-CLJLJLNGSA-N 0 0 507.034 6.473 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224898156 571627991 /nfs/dbraw/zinc/62/79/91/571627991.db2.gz LOWOORYAJMUULG-UIOOFZCWSA-N 0 0 524.587 7.133 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224903971 571628478 /nfs/dbraw/zinc/62/84/78/571628478.db2.gz SUUNDRRGZUDPDF-KAYWLYCHSA-N 0 0 521.061 6.776 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224915875 571629505 /nfs/dbraw/zinc/62/95/05/571629505.db2.gz YBWZMHMNVHNRMN-SXOMAYOGSA-N 0 0 514.626 5.900 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1 ZINC000224915741 571629508 /nfs/dbraw/zinc/62/95/08/571629508.db2.gz JDRKZGRQYLAFMZ-RRPNLBNLSA-N 0 0 514.626 5.900 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224916128 571629573 /nfs/dbraw/zinc/62/95/73/571629573.db2.gz LQWGKIKYEBRWNY-SVBPBHIXSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224919607 571629910 /nfs/dbraw/zinc/62/99/10/571629910.db2.gz KBFVKXUFMGBPBP-CLJLJLNGSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224923897 571630458 /nfs/dbraw/zinc/63/04/58/571630458.db2.gz DLRUODWNIUDGBX-IZZNHLLZSA-N 0 0 567.940 7.096 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224923933 571630468 /nfs/dbraw/zinc/63/04/68/571630468.db2.gz DLRUODWNIUDGBX-UIOOFZCWSA-N 0 0 567.940 7.096 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224929172 571630991 /nfs/dbraw/zinc/63/09/91/571630991.db2.gz MPADESYXVLRWKA-FTJBHMTQSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224931623 571631183 /nfs/dbraw/zinc/63/11/83/571631183.db2.gz JKZNKKKVGPGULG-FTJBHMTQSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224931269 571631190 /nfs/dbraw/zinc/63/11/90/571631190.db2.gz NZVKUXLSXMSHGZ-IZLXSDGUSA-N 0 0 560.565 6.803 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224931696 571631219 /nfs/dbraw/zinc/63/12/19/571631219.db2.gz JKZNKKKVGPGULG-UIOOFZCWSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224931789 571631274 /nfs/dbraw/zinc/63/12/74/571631274.db2.gz PKTTVXFCMASPPY-FTJBHMTQSA-N 0 0 586.386 8.044 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224932464 571631338 /nfs/dbraw/zinc/63/13/38/571631338.db2.gz YJBVDFPEATZLGF-IZLXSDGUSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224932772 571631343 /nfs/dbraw/zinc/63/13/43/571631343.db2.gz WPZUTICDQYHOGC-XRKRLSELSA-N 0 0 559.577 7.662 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224933057 571631384 /nfs/dbraw/zinc/63/13/84/571631384.db2.gz ALQZTHUQCUPJRU-SVBPBHIXSA-N 0 0 565.968 7.699 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934186 571631515 /nfs/dbraw/zinc/63/15/15/571631515.db2.gz QTXHBMMXVYRFAN-XRKRLSELSA-N 0 0 559.577 7.608 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)n1-c1ccccc1 ZINC000224944836 571632569 /nfs/dbraw/zinc/63/25/69/571632569.db2.gz MDFOXPMJQZVWQT-LOSJGSFVSA-N 0 0 503.469 6.429 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224945640 571632604 /nfs/dbraw/zinc/63/26/04/571632604.db2.gz JSPCHHFOMDREGV-KAYWLYCHSA-N 0 0 575.532 6.524 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224945680 571632607 /nfs/dbraw/zinc/63/26/07/571632607.db2.gz JSPCHHFOMDREGV-SXOMAYOGSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224949200 571632919 /nfs/dbraw/zinc/63/29/19/571632919.db2.gz ITBFCXNZOQSTQS-UIOOFZCWSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224956257 571633562 /nfs/dbraw/zinc/63/35/62/571633562.db2.gz RYVNKTBJDRCXIP-XZWHSSHBSA-N 0 0 539.104 7.481 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224957141 571633696 /nfs/dbraw/zinc/63/36/96/571633696.db2.gz HNSZLADXENJHMB-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224958395 571633766 /nfs/dbraw/zinc/63/37/66/571633766.db2.gz SLIRZQZFAZFUJQ-CLJLJLNGSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000224958037 571633785 /nfs/dbraw/zinc/63/37/85/571633785.db2.gz MOHJIAIJMIONCZ-CLJLJLNGSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224959568 571633928 /nfs/dbraw/zinc/63/39/28/571633928.db2.gz XXMLAOUBQQQMTN-CLJLJLNGSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224963791 571634467 /nfs/dbraw/zinc/63/44/67/571634467.db2.gz XVHXSPUZWSPSOJ-UIOOFZCWSA-N 0 0 504.059 6.032 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224963609 571634470 /nfs/dbraw/zinc/63/44/70/571634470.db2.gz JNQIVQBDXAPPOM-XRKRLSELSA-N 0 0 531.125 7.199 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224974480 571635437 /nfs/dbraw/zinc/63/54/37/571635437.db2.gz MOKDSLZBCKVSNW-SXOMAYOGSA-N 0 0 547.080 6.115 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224978364 571635619 /nfs/dbraw/zinc/63/56/19/571635619.db2.gz RHZOYOIKKLWOIV-IOWSJCHKSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224978324 571635657 /nfs/dbraw/zinc/63/56/57/571635657.db2.gz RHZOYOIKKLWOIV-JSOSNVBQSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000224985878 571636465 /nfs/dbraw/zinc/63/64/65/571636465.db2.gz LBZLANMVOWPJNG-AJQTZOPKSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224986759 571636542 /nfs/dbraw/zinc/63/65/42/571636542.db2.gz LEDDYBVGIOXTDU-CONSDPRKSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224987889 571636655 /nfs/dbraw/zinc/63/66/55/571636655.db2.gz UQJKHYYWPLQZQU-JSOSNVBQSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224987638 571636681 /nfs/dbraw/zinc/63/66/81/571636681.db2.gz VBIQPXCEGLVXKS-CONSDPRKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224988477 571636711 /nfs/dbraw/zinc/63/67/11/571636711.db2.gz SMFAYGZEDIBPNR-CONSDPRKSA-N 0 0 572.178 7.262 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224989744 571636888 /nfs/dbraw/zinc/63/68/88/571636888.db2.gz BLHWRRFOEXAMQQ-JSOSNVBQSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224990032 571636912 /nfs/dbraw/zinc/63/69/12/571636912.db2.gz XIKWMJARSBDGBH-CZNDPXEESA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224989782 571636921 /nfs/dbraw/zinc/63/69/21/571636921.db2.gz BLHWRRFOEXAMQQ-IOWSJCHKSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224992357 571637238 /nfs/dbraw/zinc/63/72/38/571637238.db2.gz FMHXYMXELAATOA-FIRIVFDPSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225043078 571641485 /nfs/dbraw/zinc/64/14/85/571641485.db2.gz USDVPKBPBQZPAR-VSGBNLITSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225044112 571641592 /nfs/dbraw/zinc/64/15/92/571641592.db2.gz UECSJYDRRAPNMJ-VSGBNLITSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225044510 571641616 /nfs/dbraw/zinc/64/16/16/571641616.db2.gz DMMQIENICMEKPX-WUFINQPMSA-N 0 0 516.114 6.617 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046507 571641823 /nfs/dbraw/zinc/64/18/23/571641823.db2.gz JBNWIOWOILMKNG-ZWXJPIIXSA-N 0 0 552.792 6.810 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225046408 571641847 /nfs/dbraw/zinc/64/18/47/571641847.db2.gz ITZLXAISAFQQMH-KYJUHHDHSA-N 0 0 524.738 6.030 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046470 571641856 /nfs/dbraw/zinc/64/18/56/571641856.db2.gz JBNWIOWOILMKNG-ROJLCIKYSA-N 0 0 552.792 6.810 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225047104 571641939 /nfs/dbraw/zinc/64/19/39/571641939.db2.gz QLCORWPFZDOIHO-KYJUHHDHSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225047802 571641994 /nfs/dbraw/zinc/64/19/94/571641994.db2.gz YUPZPPGXVSVEBM-VMPREFPWSA-N 0 0 525.678 5.693 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225048434 571642013 /nfs/dbraw/zinc/64/20/13/571642013.db2.gz UJZVJXVKELDCMA-URLMMPGGSA-N 0 0 556.692 5.881 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048986 571642127 /nfs/dbraw/zinc/64/21/27/571642127.db2.gz YRJPXTOLPCPSBA-VMPREFPWSA-N 0 0 546.140 6.626 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225064153 571643465 /nfs/dbraw/zinc/64/34/65/571643465.db2.gz VEWNTPCFGQINHA-BCRBLDSWSA-N 0 0 658.828 6.520 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225067928 571643731 /nfs/dbraw/zinc/64/37/31/571643731.db2.gz WIEFRQAGIVNVNW-CZNDPXEESA-N 0 0 624.166 7.043 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225070788 571644044 /nfs/dbraw/zinc/64/40/44/571644044.db2.gz VRFGZGOAQAUIKO-FZNHDDJXSA-N 0 0 623.782 7.837 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225072040 571644158 /nfs/dbraw/zinc/64/41/58/571644158.db2.gz BHTZMWXLDFDLPK-CZNDPXEESA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225073355 571644295 /nfs/dbraw/zinc/64/42/95/571644295.db2.gz OHJCWHDTRGDZSB-JHOUSYSJSA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225073399 571644314 /nfs/dbraw/zinc/64/43/14/571644314.db2.gz OHJCWHDTRGDZSB-LQJZCPKCSA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225073768 571644357 /nfs/dbraw/zinc/64/43/57/571644357.db2.gz ITHSLHUKHDMDPN-CZNDPXEESA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000225074132 571644382 /nfs/dbraw/zinc/64/43/82/571644382.db2.gz YODMGWUTBYENAJ-SAIUNTKASA-N 0 0 589.721 6.389 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075611 571644560 /nfs/dbraw/zinc/64/45/60/571644560.db2.gz QZQIHJWFYFVECQ-BCRBLDSWSA-N 0 0 644.845 7.530 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225076285 571644623 /nfs/dbraw/zinc/64/46/23/571644623.db2.gz GYEAQFQHWLUVAB-OIDHKYIRSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225076783 571644699 /nfs/dbraw/zinc/64/46/99/571644699.db2.gz KTHBTWMJDRAQSK-SZAHLOSFSA-N 0 0 617.731 6.412 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225077920 571644842 /nfs/dbraw/zinc/64/48/42/571644842.db2.gz FIQKWWIZSFOTPD-NOCHOARKSA-N 0 0 638.193 7.346 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078215 571644869 /nfs/dbraw/zinc/64/48/69/571644869.db2.gz BMTUCBFYHRUULD-QZCRLSDHSA-N 0 0 615.803 7.555 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225093164 571646590 /nfs/dbraw/zinc/64/65/90/571646590.db2.gz XUILFZBBVAUFEI-JHOUSYSJSA-N 0 0 638.838 6.496 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)(C)C ZINC000225093956 571646641 /nfs/dbraw/zinc/64/66/41/571646641.db2.gz ZGJMTZJZUGBMFQ-VMPREFPWSA-N 0 0 569.775 6.884 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225095308 571646731 /nfs/dbraw/zinc/64/67/31/571646731.db2.gz HKFZNEBLKRFNBR-WUFINQPMSA-N 0 0 554.720 6.054 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225095268 571646737 /nfs/dbraw/zinc/64/67/37/571646737.db2.gz HKFZNEBLKRFNBR-IZLXSDGUSA-N 0 0 554.720 6.054 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101580 571647323 /nfs/dbraw/zinc/64/73/23/571647323.db2.gz NHXQRBXDUAPVMU-WDYNHAJCSA-N 0 0 571.722 6.799 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225101481 571647327 /nfs/dbraw/zinc/64/73/27/571647327.db2.gz BCCYNMMAZWECLM-CONSDPRKSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102567 571647381 /nfs/dbraw/zinc/64/73/81/571647381.db2.gz RULVGFXSDIRLKL-WDYNHAJCSA-N 0 0 632.628 7.422 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103111 571647507 /nfs/dbraw/zinc/64/75/07/571647507.db2.gz FJVZYFRTNWPWCX-URLMMPGGSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104783 571647638 /nfs/dbraw/zinc/64/76/38/571647638.db2.gz DYWSNOJOQQNVJU-WDYNHAJCSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104822 571647671 /nfs/dbraw/zinc/64/76/71/571647671.db2.gz DYWSNOJOQQNVJU-URLMMPGGSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105468 571647711 /nfs/dbraw/zinc/64/77/11/571647711.db2.gz YMMBBVJMDDHJLO-JSOSNVBQSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105545 571647790 /nfs/dbraw/zinc/64/77/90/571647790.db2.gz YMMBBVJMDDHJLO-FIRIVFDPSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107359 571647956 /nfs/dbraw/zinc/64/79/56/571647956.db2.gz JSNJDIQBGOXYNT-WDYNHAJCSA-N 0 0 568.747 6.363 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107264 571647963 /nfs/dbraw/zinc/64/79/63/571647963.db2.gz FVMRCGANMYORMG-CDZUIXILSA-N 0 0 595.813 7.530 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107657 571647994 /nfs/dbraw/zinc/64/79/94/571647994.db2.gz YBRMCQBCHNMGEB-VMPREFPWSA-N 0 0 568.747 6.363 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)c1 ZINC000225118318 571649205 /nfs/dbraw/zinc/64/92/05/571649205.db2.gz DRKSGVWDKKUYEG-IHLOFXLRSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225122158 571649532 /nfs/dbraw/zinc/64/95/32/571649532.db2.gz WZDNPQUDZKRPEK-ROJLCIKYSA-N 0 0 629.230 6.751 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225122235 571649558 /nfs/dbraw/zinc/64/95/58/571649558.db2.gz WZDNPQUDZKRPEK-AJQTZOPKSA-N 0 0 629.230 6.751 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000225128615 571650018 /nfs/dbraw/zinc/65/00/18/571650018.db2.gz VOBICISRJUYTMQ-ACHIHNKUSA-N 0 0 594.184 8.067 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000225129354 571650073 /nfs/dbraw/zinc/65/00/73/571650073.db2.gz UBDYPWJCCVDRSC-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000225129187 571650087 /nfs/dbraw/zinc/65/00/87/571650087.db2.gz BFZIWDNYLDCVFF-FQLXRVMXSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000225130614 571650223 /nfs/dbraw/zinc/65/02/23/571650223.db2.gz FVBASGIZXUEGDL-NSOVKSMOSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000225130670 571650236 /nfs/dbraw/zinc/65/02/36/571650236.db2.gz ITGPJBWXIGYXSQ-VSGBNLITSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225130874 571650251 /nfs/dbraw/zinc/65/02/51/571650251.db2.gz ICTRRICVUPSXDZ-IZLXSDGUSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225130993 571650264 /nfs/dbraw/zinc/65/02/64/571650264.db2.gz HYOPPKNVOXCQJR-VSGBNLITSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000225131198 571650302 /nfs/dbraw/zinc/65/03/02/571650302.db2.gz SZCPUBLVOFETGS-IZLXSDGUSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225131527 571650308 /nfs/dbraw/zinc/65/03/08/571650308.db2.gz FSOVCUHPPDDERZ-IZLXSDGUSA-N 0 0 623.020 7.677 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000225131827 571650341 /nfs/dbraw/zinc/65/03/41/571650341.db2.gz SLDTYPFLEXHJPP-IZLXSDGUSA-N 0 0 560.123 6.620 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225132816 571650390 /nfs/dbraw/zinc/65/03/90/571650390.db2.gz SBKMGYQILOBKSB-IHLOFXLRSA-N 0 0 587.193 6.980 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225134577 571650548 /nfs/dbraw/zinc/65/05/48/571650548.db2.gz LLTMIJCDBLEZNX-WDYNHAJCSA-N 0 0 619.147 6.831 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225134868 571650581 /nfs/dbraw/zinc/65/05/81/571650581.db2.gz MEZOQIYELGTCBD-FQLXRVMXSA-N 0 0 592.596 7.876 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135577 571650649 /nfs/dbraw/zinc/65/06/49/571650649.db2.gz ZAZXMPRHAXVDQU-IGYGKHONSA-N 0 0 586.205 7.785 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)n1-c1ccccc1 ZINC000225145488 571651881 /nfs/dbraw/zinc/65/18/81/571651881.db2.gz MFDOWIZAEHBAAT-SVBPBHIXSA-N 0 0 530.097 6.606 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225149765 571652393 /nfs/dbraw/zinc/65/23/93/571652393.db2.gz WROYKPBIINYBEH-SAIUNTKASA-N 0 0 594.785 6.160 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225153450 571652704 /nfs/dbraw/zinc/65/27/04/571652704.db2.gz QINNIEKSNABSDI-VMPREFPWSA-N 0 0 560.123 6.682 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C ZINC000225157258 571653054 /nfs/dbraw/zinc/65/30/54/571653054.db2.gz YKKGKKYYACIUAO-VMPREFPWSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225159841 571653287 /nfs/dbraw/zinc/65/32/87/571653287.db2.gz TZKQHYWXVVDXRK-KYJUHHDHSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225161123 571653378 /nfs/dbraw/zinc/65/33/78/571653378.db2.gz KKCRRPUWGCPXDK-URLMMPGGSA-N 0 0 578.569 7.630 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225161265 571653410 /nfs/dbraw/zinc/65/34/10/571653410.db2.gz IIUHWRCWEHELQS-JSOSNVBQSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225161615 571653467 /nfs/dbraw/zinc/65/34/67/571653467.db2.gz ZKZJRDIWMQJXFK-VEEOACQBSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225162874 571653570 /nfs/dbraw/zinc/65/35/70/571653570.db2.gz SPUTUNBSGXTJLF-XZWHSSHBSA-N 0 0 558.151 7.285 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225163423 571653626 /nfs/dbraw/zinc/65/36/26/571653626.db2.gz ZCNFFDDRTDHNMM-LOYHVIPDSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225174097 571654586 /nfs/dbraw/zinc/65/45/86/571654586.db2.gz KIGSXODZEJUGEM-XZWHSSHBSA-N 0 0 567.715 6.110 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1OC ZINC000225184417 571655631 /nfs/dbraw/zinc/65/56/31/571655631.db2.gz YLZSOOYRWMYOLL-LQJZCPKCSA-N 0 0 575.738 7.177 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC ZINC000225185600 571655727 /nfs/dbraw/zinc/65/57/27/571655727.db2.gz QUBZJTFNCWISSE-WDYNHAJCSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1OC ZINC000225186305 571655823 /nfs/dbraw/zinc/65/58/23/571655823.db2.gz XJGWIAVAJUZACX-FQLXRVMXSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC ZINC000225187372 571655949 /nfs/dbraw/zinc/65/59/49/571655949.db2.gz BWAZRMMKZVMJQS-VMPREFPWSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1OC ZINC000225187714 571655970 /nfs/dbraw/zinc/65/59/70/571655970.db2.gz AZTUBOINVLAWNV-VMPREFPWSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1OC ZINC000225188762 571656080 /nfs/dbraw/zinc/65/60/80/571656080.db2.gz FUIIOUYGBVXFLG-JSOSNVBQSA-N 0 0 568.747 6.089 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1OC ZINC000225190336 571656245 /nfs/dbraw/zinc/65/62/45/571656245.db2.gz KBDGKWDOLMMASX-BHYZAODMSA-N 0 0 567.759 6.949 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1OC ZINC000225190931 571656341 /nfs/dbraw/zinc/65/63/41/571656341.db2.gz PPKZNRIEZMNOBW-LOYHVIPDSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1OC ZINC000225192170 571656447 /nfs/dbraw/zinc/65/64/47/571656447.db2.gz LGMBOVQXAROHEX-VSGBNLITSA-N 0 0 540.693 5.727 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000225202015 571657424 /nfs/dbraw/zinc/65/74/24/571657424.db2.gz LZYBSLAAKLDGCI-WDYNHAJCSA-N 0 0 541.677 5.724 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000225206297 571657866 /nfs/dbraw/zinc/65/78/66/571657866.db2.gz DOASOXIOWXIHSR-AJQTZOPKSA-N 0 0 596.757 5.088 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000225210087 571658247 /nfs/dbraw/zinc/65/82/47/571658247.db2.gz XBXZQCSUPVGKMW-VSGBNLITSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000225214006 571658581 /nfs/dbraw/zinc/65/85/81/571658581.db2.gz YNCZMTIJYOSWMO-VSGBNLITSA-N 0 0 579.648 6.270 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225214223 571658606 /nfs/dbraw/zinc/65/86/06/571658606.db2.gz RJKYSJNRLCZGRW-LOYHVIPDSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000225218847 571659113 /nfs/dbraw/zinc/65/91/13/571659113.db2.gz FGTNQAHKECITJS-BVRKHOPBSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000225218944 571659127 /nfs/dbraw/zinc/65/91/27/571659127.db2.gz PKUBOZAKXDHEIR-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000225230562 571660438 /nfs/dbraw/zinc/66/04/38/571660438.db2.gz FZRXHHOTGJJITL-VMPREFPWSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000225241771 571661677 /nfs/dbraw/zinc/66/16/77/571661677.db2.gz PDZJHWYNGBMEPC-IZLXSDGUSA-N 0 0 614.093 6.923 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000225243457 571661841 /nfs/dbraw/zinc/66/18/41/571661841.db2.gz WNPCUFKPAIUADC-VSGBNLITSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000225243417 571661849 /nfs/dbraw/zinc/66/18/49/571661849.db2.gz WNPCUFKPAIUADC-WUFINQPMSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000225243244 571661870 /nfs/dbraw/zinc/66/18/70/571661870.db2.gz IYPKMYKIMYUXEC-WUFINQPMSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000225243777 571661888 /nfs/dbraw/zinc/66/18/88/571661888.db2.gz NUEMDLIYAVZWJD-VSGBNLITSA-N 0 0 562.095 5.610 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000225245492 571662053 /nfs/dbraw/zinc/66/20/53/571662053.db2.gz BVULSUISFPPGSW-IHLOFXLRSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000225245768 571662132 /nfs/dbraw/zinc/66/21/32/571662132.db2.gz AVCIFKBBQDUPHV-JDXGNMNLSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000225246320 571662140 /nfs/dbraw/zinc/66/21/40/571662140.db2.gz VPZBLNHNBXWHSG-IGYGKHONSA-N 0 0 588.177 6.830 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000225246480 571662164 /nfs/dbraw/zinc/66/21/64/571662164.db2.gz PGMCVDOUYBCKIN-URLMMPGGSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1Cl ZINC000225246250 571662184 /nfs/dbraw/zinc/66/21/84/571662184.db2.gz VPZBLNHNBXWHSG-SMCANUKXSA-N 0 0 588.177 6.830 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000225247976 571662313 /nfs/dbraw/zinc/66/23/13/571662313.db2.gz REUGCNTWLNLMTR-KAYWLYCHSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1C ZINC000225264794 571664190 /nfs/dbraw/zinc/66/41/90/571664190.db2.gz XBVTVXNPSDUYOC-FQLXRVMXSA-N 0 0 576.122 5.919 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225268315 571664681 /nfs/dbraw/zinc/66/46/81/571664681.db2.gz GDPHTAUNAZLQLU-CONSDPRKSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225268561 571664709 /nfs/dbraw/zinc/66/47/09/571664709.db2.gz HIVMIJJJVVDEMW-WDYNHAJCSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225268713 571664710 /nfs/dbraw/zinc/66/47/10/571664710.db2.gz HTIUKQLKRAMXPW-WDYNHAJCSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225268598 571664718 /nfs/dbraw/zinc/66/47/18/571664718.db2.gz HIVMIJJJVVDEMW-URLMMPGGSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225269328 571664827 /nfs/dbraw/zinc/66/48/27/571664827.db2.gz SSPGSXDTPLPMHX-WDYNHAJCSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C ZINC000225269746 571664887 /nfs/dbraw/zinc/66/48/87/571664887.db2.gz JNFIRNHVVLDFIR-VMPREFPWSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225270977 571665005 /nfs/dbraw/zinc/66/50/05/571665005.db2.gz ASQVWHCFFJVKSG-CONSDPRKSA-N 0 0 568.747 5.626 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225271014 571665035 /nfs/dbraw/zinc/66/50/35/571665035.db2.gz ASQVWHCFFJVKSG-JSOSNVBQSA-N 0 0 568.747 5.626 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225271486 571665072 /nfs/dbraw/zinc/66/50/72/571665072.db2.gz PJGMRNOWSAPSIF-VMPREFPWSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225271941 571665142 /nfs/dbraw/zinc/66/51/42/571665142.db2.gz GMKHLACMFLJUGF-FIRIVFDPSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225272289 571665169 /nfs/dbraw/zinc/66/51/69/571665169.db2.gz VKOIDSNUIWQIGU-FIRIVFDPSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1C ZINC000225272750 571665239 /nfs/dbraw/zinc/66/52/39/571665239.db2.gz ZFZUUJFPKPDDGK-XZWHSSHBSA-N 0 0 574.150 6.521 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C)c2)c1C ZINC000225273824 571665322 /nfs/dbraw/zinc/66/53/22/571665322.db2.gz KELMUDYVNMSSHE-BHYZAODMSA-N 0 0 567.759 6.430 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1OC ZINC000225294399 571667682 /nfs/dbraw/zinc/66/76/82/571667682.db2.gz ILADFKUMKIIYKK-URLMMPGGSA-N 0 0 541.677 5.260 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225295150 571667785 /nfs/dbraw/zinc/66/77/85/571667785.db2.gz RFZDQRYFEPGDAV-IOWSJCHKSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1OC ZINC000225296585 571668071 /nfs/dbraw/zinc/66/80/71/571668071.db2.gz FXQJFFQATMESEK-KYJUHHDHSA-N 0 0 571.703 5.268 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NC(C)=O ZINC000225312074 571670552 /nfs/dbraw/zinc/67/05/52/571670552.db2.gz MEVFTXKEPGUVHZ-AJQTZOPKSA-N 0 0 596.757 5.470 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NC(C)=O ZINC000225312831 571670610 /nfs/dbraw/zinc/67/06/10/571670610.db2.gz WQSVIKYGUIGABE-NSOVKSMOSA-N 0 0 562.139 6.511 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NC(C)=O ZINC000225315311 571671177 /nfs/dbraw/zinc/67/11/77/571671177.db2.gz PWFGBNQJQDKVEU-VSGBNLITSA-N 0 0 562.095 5.992 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NC(C)=O ZINC000225319137 571672891 /nfs/dbraw/zinc/67/28/91/571672891.db2.gz OUJDOCYKHARVPK-IZLXSDGUSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NC(C)=O ZINC000225319302 571673162 /nfs/dbraw/zinc/67/31/62/571673162.db2.gz CMIFUKXPJCWJKY-WUFINQPMSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NC(C)=O ZINC000225319869 571674326 /nfs/dbraw/zinc/67/43/26/571674326.db2.gz PHJVUQALYAZBJZ-NSOVKSMOSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225320048 571674840 /nfs/dbraw/zinc/67/48/40/571674840.db2.gz AVWFZODOWWWNFG-FQLXRVMXSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320172 571674876 /nfs/dbraw/zinc/67/48/76/571674876.db2.gz PEZZYKYAGHCDHF-FQLXRVMXSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NC(C)=O ZINC000225320745 571675934 /nfs/dbraw/zinc/67/59/34/571675934.db2.gz GMEJYHYWSMOULB-IHLOFXLRSA-N 0 0 554.720 5.699 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320853 571676293 /nfs/dbraw/zinc/67/62/93/571676293.db2.gz SCQIFQAQUFGJDT-ROJLCIKYSA-N 0 0 582.774 6.479 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NC(C)=O ZINC000225321500 571676913 /nfs/dbraw/zinc/67/69/13/571676913.db2.gz VJEJKXJJYHQOCL-XZWHSSHBSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NC(C)=O ZINC000225322016 571677502 /nfs/dbraw/zinc/67/75/02/571677502.db2.gz MPFNQBLVWMGYAF-FQLXRVMXSA-N 0 0 555.660 5.362 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NC(C)=O ZINC000225322219 571677524 /nfs/dbraw/zinc/67/75/24/571677524.db2.gz WVCYBQJTBUKGAT-VMPREFPWSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225322635 571678530 /nfs/dbraw/zinc/67/85/30/571678530.db2.gz FFPGGKADXNEYRM-VMPREFPWSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NC(C)=O ZINC000225323620 571679447 /nfs/dbraw/zinc/67/94/47/571679447.db2.gz DZYIZTFDDJQEQC-SVBPBHIXSA-N 0 0 526.666 5.337 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225332717 571691046 /nfs/dbraw/zinc/69/10/46/571691046.db2.gz OQKUWKIGCMPQSB-URLMMPGGSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225343252 571702289 /nfs/dbraw/zinc/70/22/89/571702289.db2.gz GHWZEZDWALPOOO-VSGBNLITSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1F ZINC000225343731 571702884 /nfs/dbraw/zinc/70/28/84/571702884.db2.gz OCPHJFDVSGDMSK-VSGBNLITSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225344059 571703515 /nfs/dbraw/zinc/70/35/15/571703515.db2.gz JMJUGCZVNIKPGA-WUFINQPMSA-N 0 0 500.643 6.593 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1 ZINC000225345408 571705121 /nfs/dbraw/zinc/70/51/21/571705121.db2.gz HAGFTQNZXWRHEI-URLMMPGGSA-N 0 0 512.679 6.462 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225347308 571707781 /nfs/dbraw/zinc/70/77/81/571707781.db2.gz OMRTWRQXAOAGOH-IHLOFXLRSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225347545 571707800 /nfs/dbraw/zinc/70/78/00/571707800.db2.gz UTUIVXYPILTJBE-VMPREFPWSA-N 0 0 526.662 6.182 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225347859 571708366 /nfs/dbraw/zinc/70/83/66/571708366.db2.gz LUWGUQWOEBNSMF-VMPREFPWSA-N 0 0 531.125 7.415 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801674 571709425 /nfs/dbraw/zinc/70/94/25/571709425.db2.gz KMBMVTIDRCAWID-SFTDATJTSA-N 0 0 521.708 5.387 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1 ZINC000225368556 571732800 /nfs/dbraw/zinc/73/28/00/571732800.db2.gz SESRJJNCOIKUDP-XZWHSSHBSA-N 0 0 508.691 6.988 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225369028 571733372 /nfs/dbraw/zinc/73/33/72/571733372.db2.gz HGJMKMCRVAGRGP-CONSDPRKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225368779 571733435 /nfs/dbraw/zinc/73/34/35/571733435.db2.gz PWCCETGLLQCHMV-FIRIVFDPSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225369725 571734610 /nfs/dbraw/zinc/73/46/10/571734610.db2.gz GVLKINLYPAGEKZ-IHLOFXLRSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225370304 571735564 /nfs/dbraw/zinc/73/55/64/571735564.db2.gz JIVUQALJDXRYAY-LOYHVIPDSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Br ZINC000225370568 571735712 /nfs/dbraw/zinc/73/57/12/571735712.db2.gz ANKMEBMVHDWSPD-KYJUHHDHSA-N 0 0 587.587 7.750 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225371270 571736030 /nfs/dbraw/zinc/73/60/30/571736030.db2.gz YSEYGLUDCDCOEY-JSOSNVBQSA-N 0 0 538.717 6.996 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225371485 571736678 /nfs/dbraw/zinc/73/66/78/571736678.db2.gz ISDMIVGFQDESLY-CONSDPRKSA-N 0 0 538.717 6.996 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225372034 571737598 /nfs/dbraw/zinc/73/75/98/571737598.db2.gz HOVZVNPGIPVKTA-AJQTZOPKSA-N 0 0 551.760 7.054 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372178 571737784 /nfs/dbraw/zinc/73/77/84/571737784.db2.gz IQFWKVICFRMLHW-SZAHLOSFSA-N 0 0 579.814 7.834 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225372608 571738453 /nfs/dbraw/zinc/73/84/53/571738453.db2.gz HCFWMOVFYDEDOB-AJQTZOPKSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225372997 571738623 /nfs/dbraw/zinc/73/86/23/571738623.db2.gz QAIWKJAOUGHJNK-ROJLCIKYSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225373349 571739193 /nfs/dbraw/zinc/73/91/93/571739193.db2.gz QVSHFLTXSUVSTI-CQTOTRCISA-N 0 0 550.772 7.913 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225374704 571741156 /nfs/dbraw/zinc/74/11/56/571741156.db2.gz SZFLWXUECSVZGV-KYJUHHDHSA-N 0 0 523.706 6.691 40 10 KKCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260836898 571742459 /nfs/dbraw/zinc/74/24/59/571742459.db2.gz BEEIRSVBFVUAFT-GJZGRUSLSA-N 0 0 554.525 5.373 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260851007 571750867 /nfs/dbraw/zinc/75/08/67/571750867.db2.gz ATRBFSGPWQIXJB-FQLXRVMXSA-N 0 0 560.167 7.201 40 10 KKCBRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260851147 571751316 /nfs/dbraw/zinc/75/13/16/571751316.db2.gz GZJCLAHPOHXAIL-XZWHSSHBSA-N 0 0 539.749 6.331 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000260851195 571751358 /nfs/dbraw/zinc/75/13/58/571751358.db2.gz ITVQOTJSWMQFKQ-RRPNLBNLSA-N 0 0 547.750 5.570 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1C ZINC000260851209 571751436 /nfs/dbraw/zinc/75/14/36/571751436.db2.gz JLPSAGMSDRBSIE-FQLXRVMXSA-N 0 0 541.721 5.784 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851079 571751504 /nfs/dbraw/zinc/75/15/04/571751504.db2.gz DKYSMPBHEXMEDH-IZZNHLLZSA-N 0 0 568.168 5.915 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260851183 571751537 /nfs/dbraw/zinc/75/15/37/571751537.db2.gz IRIOTUDQAFZJCY-FQLXRVMXSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225386047 571754790 /nfs/dbraw/zinc/75/47/90/571754790.db2.gz UHDFSGVICWDSOW-FTJBHMTQSA-N 0 0 585.677 6.057 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000225393269 571762310 /nfs/dbraw/zinc/76/23/10/571762310.db2.gz KASBELIZGYHIFR-UIOOFZCWSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000225393632 571762988 /nfs/dbraw/zinc/76/29/88/571762988.db2.gz PNHOBFXBGUHPJZ-SVBPBHIXSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F ZINC000225394530 571763943 /nfs/dbraw/zinc/76/39/43/571763943.db2.gz GDSUAZIOESBHMT-IZZNHLLZSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225394844 571763972 /nfs/dbraw/zinc/76/39/72/571763972.db2.gz JRCQUGJKDJCHMZ-FTJBHMTQSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl ZINC000225394983 571764464 /nfs/dbraw/zinc/76/44/64/571764464.db2.gz ADWOVFGJRLFCTL-CLJLJLNGSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225395975 571765303 /nfs/dbraw/zinc/76/53/03/571765303.db2.gz XMBQQVILERWGIK-UIOOFZCWSA-N 0 0 596.576 5.800 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400555 571770469 /nfs/dbraw/zinc/77/04/69/571770469.db2.gz ZHYSEVRESWOEKB-LMSSTIIKSA-N 0 0 559.761 5.909 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225416770 571784212 /nfs/dbraw/zinc/78/42/12/571784212.db2.gz FBSWHWWMSJCZEO-SXOMAYOGSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1NS(C)(=O)=O ZINC000225424928 571790939 /nfs/dbraw/zinc/79/09/39/571790939.db2.gz OCNQWCVRGSREBY-SXOMAYOGSA-N 0 0 615.703 6.065 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425321 571791543 /nfs/dbraw/zinc/79/15/43/571791543.db2.gz JSGGVERVHYLYNU-URLMMPGGSA-N 0 0 575.760 5.609 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425241 571791558 /nfs/dbraw/zinc/79/15/58/571791558.db2.gz JSGGVERVHYLYNU-FQLXRVMXSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426102 571792171 /nfs/dbraw/zinc/79/21/71/571792171.db2.gz VGAOGDDXJXNAIB-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225428539 571795744 /nfs/dbraw/zinc/79/57/44/571795744.db2.gz SGXCGGCVCQTPQV-KAYWLYCHSA-N 0 0 616.596 6.353 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000225446860 571819177 /nfs/dbraw/zinc/81/91/77/571819177.db2.gz ITVQOTJSWMQFKQ-SXOMAYOGSA-N 0 0 547.750 5.570 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225449471 571821415 /nfs/dbraw/zinc/82/14/15/571821415.db2.gz JOLUPOFYPGBCJK-KAYWLYCHSA-N 0 0 582.151 5.705 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225452137 571823502 /nfs/dbraw/zinc/82/35/02/571823502.db2.gz AAPKVMSKZAZWHC-JSOSNVBQSA-N 0 0 581.767 6.499 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225452226 571823573 /nfs/dbraw/zinc/82/35/73/571823573.db2.gz AAPKVMSKZAZWHC-CONSDPRKSA-N 0 0 581.767 6.499 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225453560 571825061 /nfs/dbraw/zinc/82/50/61/571825061.db2.gz KZCQOJZFUGYRME-FQLXRVMXSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1F ZINC000225453761 571825480 /nfs/dbraw/zinc/82/54/80/571825480.db2.gz FIOJVGRWVVFELL-SXOMAYOGSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000225454303 571826163 /nfs/dbraw/zinc/82/61/63/571826163.db2.gz LHVJKHMWJHPTOS-SVBPBHIXSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1O ZINC000225455271 571826699 /nfs/dbraw/zinc/82/66/99/571826699.db2.gz ZYKYVJUOPDBVPB-SVBPBHIXSA-N 0 0 547.706 5.052 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225455527 571827030 /nfs/dbraw/zinc/82/70/30/571827030.db2.gz LIIMSZWJOLTPHR-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225456410 571827956 /nfs/dbraw/zinc/82/79/56/571827956.db2.gz BIUPLBNGOZPFFL-VMPREFPWSA-N 0 0 574.776 5.412 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456490 571828157 /nfs/dbraw/zinc/82/81/57/571828157.db2.gz BJKAXWGKQORDHK-JSOSNVBQSA-N 0 0 602.830 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225457134 571828729 /nfs/dbraw/zinc/82/87/29/571828729.db2.gz DDTIHQSFVHUGIH-URLMMPGGSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225457291 571829177 /nfs/dbraw/zinc/82/91/77/571829177.db2.gz ANHCEASDDYSABP-LMSSTIIKSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225457753 571829634 /nfs/dbraw/zinc/82/96/34/571829634.db2.gz QIIMDCNKZAUTBG-WUFINQPMSA-N 0 0 580.179 6.308 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225458077 571829914 /nfs/dbraw/zinc/82/99/14/571829914.db2.gz PYSPAFDZTFLASI-IZLXSDGUSA-N 0 0 580.179 6.308 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000260909962 571836466 /nfs/dbraw/zinc/83/64/66/571836466.db2.gz BFLBQNPYUAUWAY-BAGWDXEUSA-N 0 0 604.651 8.455 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000225468146 571839365 /nfs/dbraw/zinc/83/93/65/571839365.db2.gz IITHIACCXDQNMO-KAYWLYCHSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000260911769 571840425 /nfs/dbraw/zinc/84/04/25/571840425.db2.gz DDOOICAEZZAWFZ-BAGWDXEUSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000260912188 571841143 /nfs/dbraw/zinc/84/11/43/571841143.db2.gz FLZBIWRDKRMRBN-GHOOYHSOSA-N 0 0 598.260 8.419 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NS(C)(=O)=O ZINC000225472251 571842408 /nfs/dbraw/zinc/84/24/08/571842408.db2.gz XCRUSCUGJQLYCK-SXOMAYOGSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NS(C)(=O)=O ZINC000225473266 571843158 /nfs/dbraw/zinc/84/31/58/571843158.db2.gz KMXAKVYJRISFHL-SXOMAYOGSA-N 0 0 598.194 5.924 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260914204 571843947 /nfs/dbraw/zinc/84/39/47/571843947.db2.gz GBISXMSNDUHQMU-CONSDPRKSA-N 0 0 532.713 7.683 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260914059 571843979 /nfs/dbraw/zinc/84/39/79/571843979.db2.gz GAGOWYPKWSODJI-IOWSJCHKSA-N 0 0 572.222 7.780 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260914027 571843989 /nfs/dbraw/zinc/84/39/89/571843989.db2.gz GAGOWYPKWSODJI-CONSDPRKSA-N 0 0 572.222 7.780 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260914717 571844831 /nfs/dbraw/zinc/84/48/31/571844831.db2.gz GYEBIIPVDRBVES-WDYNHAJCSA-N 0 0 560.167 6.380 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NS(C)(=O)=O ZINC000225475966 571846157 /nfs/dbraw/zinc/84/61/57/571846157.db2.gz AKDGOTFRWSOPQY-RRPNLBNLSA-N 0 0 598.150 5.405 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NS(C)(=O)=O ZINC000225475897 571846226 /nfs/dbraw/zinc/84/62/26/571846226.db2.gz AKDGOTFRWSOPQY-SVBPBHIXSA-N 0 0 598.150 5.405 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000260916184 571848068 /nfs/dbraw/zinc/84/80/68/571848068.db2.gz HWPSJXLURAERAV-ZVUFWCIGSA-N 0 0 614.215 7.531 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NS(C)(=O)=O ZINC000225479574 571849987 /nfs/dbraw/zinc/84/99/87/571849987.db2.gz ZKFDRJFXWVTHGB-KAYWLYCHSA-N 0 0 615.703 6.065 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NS(C)(=O)=O ZINC000225479920 571850444 /nfs/dbraw/zinc/85/04/44/571850444.db2.gz OGXYUAWNXVASAT-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1NS(C)(=O)=O ZINC000225480030 571850576 /nfs/dbraw/zinc/85/05/76/571850576.db2.gz OGXYUAWNXVASAT-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480681 571850820 /nfs/dbraw/zinc/85/08/20/571850820.db2.gz YXVRFBYEQBCBIV-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225481493 571852024 /nfs/dbraw/zinc/85/20/24/571852024.db2.gz NIOAVDBXIOKFDZ-IZLXSDGUSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482484 571852945 /nfs/dbraw/zinc/85/29/45/571852945.db2.gz LRNNRJIHCSSAAB-KAYWLYCHSA-N 0 0 616.596 6.353 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1F ZINC000260919608 571853859 /nfs/dbraw/zinc/85/38/59/571853859.db2.gz MMFZBFIQACAKPT-CLJLJLNGSA-N 0 0 507.078 6.991 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484275 571854586 /nfs/dbraw/zinc/85/45/86/571854586.db2.gz XJCNDSVGQGMRMR-WUFINQPMSA-N 0 0 612.177 5.708 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483923 571854838 /nfs/dbraw/zinc/85/48/38/571854838.db2.gz CZBJOAHOZPGQIY-IZLXSDGUSA-N 0 0 596.178 6.008 40 10 KKCBRN Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000260921008 571856037 /nfs/dbraw/zinc/85/60/37/571856037.db2.gz OBOUHQDITONRAY-ROJLCIKYSA-N 0 0 546.740 7.991 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000260920975 571856087 /nfs/dbraw/zinc/85/60/87/571856087.db2.gz NWNXHPVGJZDYQX-CLJLJLNGSA-N 0 0 539.532 7.206 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000260922602 571859844 /nfs/dbraw/zinc/85/98/44/571859844.db2.gz QJQCGTXIIPNJCW-JYBFMWMBSA-N 0 0 585.221 7.505 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000260924059 571861888 /nfs/dbraw/zinc/86/18/88/571861888.db2.gz ROQSMTCVYWHLSL-HBFWWTAJSA-N 0 0 588.196 7.941 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260924149 571862235 /nfs/dbraw/zinc/86/22/35/571862235.db2.gz RUDVJIXPFYWNIY-IZZNHLLZSA-N 0 0 505.087 6.552 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000260924132 571862351 /nfs/dbraw/zinc/86/23/51/571862351.db2.gz RTSZBRAPTQPOIG-DOMDLIBDSA-N 0 0 570.206 7.802 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000260924244 571862414 /nfs/dbraw/zinc/86/24/14/571862414.db2.gz SOJQOHNMLWKZSK-ROJLCIKYSA-N 0 0 562.739 7.691 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000260925611 571865113 /nfs/dbraw/zinc/86/51/13/571865113.db2.gz WCKCYQGBWUGISZ-ROJLCIKYSA-N 0 0 597.184 8.345 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260925605 571865197 /nfs/dbraw/zinc/86/51/97/571865197.db2.gz WBCHKMNVQBLXRJ-NMJLAGONSA-N 0 0 612.287 8.673 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NC(=O)C(C)(C)C ZINC000260926954 571867942 /nfs/dbraw/zinc/86/79/42/571867942.db2.gz XEHCQYMIVPMFJQ-FQLXRVMXSA-N 0 0 604.220 7.537 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000260926972 571868069 /nfs/dbraw/zinc/86/80/69/571868069.db2.gz XHYZHDKAYJFRPX-DQMJNTIXSA-N 0 0 501.483 5.947 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000260927174 571868620 /nfs/dbraw/zinc/86/86/20/571868620.db2.gz YSDYQDGQUZAJJI-BAGWDXEUSA-N 0 0 638.203 8.821 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)(C)C ZINC000260927622 571869811 /nfs/dbraw/zinc/86/98/11/571869811.db2.gz ZGJMTZJZUGBMFQ-FQLXRVMXSA-N 0 0 569.775 6.884 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225504098 571874297 /nfs/dbraw/zinc/87/42/97/571874297.db2.gz UTMNJJYRCXXJLQ-VMPREFPWSA-N 0 0 509.679 5.663 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225504218 571874829 /nfs/dbraw/zinc/87/48/29/571874829.db2.gz DPLYDQFRBCYUMG-URLMMPGGSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225504781 571875128 /nfs/dbraw/zinc/87/51/28/571875128.db2.gz RVKIAIMBRNQDAX-SXOMAYOGSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225504900 571875216 /nfs/dbraw/zinc/87/52/16/571875216.db2.gz VZGWFVFQLROIEA-KAYWLYCHSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225507242 571878104 /nfs/dbraw/zinc/87/81/04/571878104.db2.gz ZUOJYMZHFUCCGN-SVBPBHIXSA-N 0 0 550.515 6.407 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225507612 571878519 /nfs/dbraw/zinc/87/85/19/571878519.db2.gz VDPDLJZNGIEBTB-PXJZQJOASA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225508166 571879042 /nfs/dbraw/zinc/87/90/42/571879042.db2.gz ORMDMCLKDLXSGO-VSGBNLITSA-N 0 0 530.097 6.062 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225508506 571879517 /nfs/dbraw/zinc/87/95/17/571879517.db2.gz ZNYJKTFHGDIXNZ-IZLXSDGUSA-N 0 0 556.648 5.017 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225521893 571890355 /nfs/dbraw/zinc/89/03/55/571890355.db2.gz VMKSIYRVNDZOPV-VSGBNLITSA-N 0 0 563.649 6.509 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225525510 571892671 /nfs/dbraw/zinc/89/26/71/571892671.db2.gz HDLSGBRIIGFOBZ-VSGBNLITSA-N 0 0 546.096 5.849 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225525588 571892808 /nfs/dbraw/zinc/89/28/08/571892808.db2.gz HDLSGBRIIGFOBZ-NSOVKSMOSA-N 0 0 546.096 5.849 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225525537 571892884 /nfs/dbraw/zinc/89/28/84/571892884.db2.gz HDLSGBRIIGFOBZ-IZLXSDGUSA-N 0 0 546.096 5.849 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000225526404 571893520 /nfs/dbraw/zinc/89/35/20/571893520.db2.gz PYERUJVHUJNQFC-UHFFFAOYSA-N 0 0 505.684 5.190 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000225528069 571894970 /nfs/dbraw/zinc/89/49/70/571894970.db2.gz JPRZPGIVDUAKLO-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225528152 571894998 /nfs/dbraw/zinc/89/49/98/571894998.db2.gz RMNSEBVMYKMQBU-WUFINQPMSA-N 0 0 563.649 6.509 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F ZINC000225528455 571895111 /nfs/dbraw/zinc/89/51/11/571895111.db2.gz RZRWMSNDXBMMRP-VSGBNLITSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O ZINC000225529353 571896422 /nfs/dbraw/zinc/89/64/22/571896422.db2.gz AZELFJURCTZRKZ-VSGBNLITSA-N 0 0 511.651 5.196 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1O ZINC000225529374 571896578 /nfs/dbraw/zinc/89/65/78/571896578.db2.gz AZELFJURCTZRKZ-IZLXSDGUSA-N 0 0 511.651 5.196 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000225530499 571897262 /nfs/dbraw/zinc/89/72/62/571897262.db2.gz LCTNZNPZZGLFMO-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225530723 571897595 /nfs/dbraw/zinc/89/75/95/571897595.db2.gz VQTNPJDVHHOVAE-MFMCTBQISA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000225532072 571898735 /nfs/dbraw/zinc/89/87/35/571898735.db2.gz JWPRVOHTHGAVBB-VSGBNLITSA-N 0 0 510.667 5.194 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531881 571898748 /nfs/dbraw/zinc/89/87/48/571898748.db2.gz DYUHQDBMAPZKHD-URLMMPGGSA-N 0 0 570.675 5.407 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225539555 571904962 /nfs/dbraw/zinc/90/49/62/571904962.db2.gz MSNYMSSTYUFCPQ-WUFINQPMSA-N 0 0 511.651 5.191 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225539932 571905414 /nfs/dbraw/zinc/90/54/14/571905414.db2.gz QLCYMVYNPDYGQJ-FQLXRVMXSA-N 0 0 553.688 5.277 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c1 ZINC000225539779 571905432 /nfs/dbraw/zinc/90/54/32/571905432.db2.gz ZWJDVEGFAMKASH-VMPREFPWSA-N 0 0 553.688 5.277 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000225543932 571908664 /nfs/dbraw/zinc/90/86/64/571908664.db2.gz NNCSMTUQJRXIID-WDYNHAJCSA-N 0 0 524.694 5.448 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3CC)c2C)cc1 ZINC000225548790 571911545 /nfs/dbraw/zinc/91/15/45/571911545.db2.gz AQSASPQHQJNDBD-AJQTZOPKSA-N 0 0 551.760 6.615 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225549740 571912692 /nfs/dbraw/zinc/91/26/92/571912692.db2.gz UDVHPPXRXGAJBQ-KYJUHHDHSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225550316 571913117 /nfs/dbraw/zinc/91/31/17/571913117.db2.gz SFEDTXAIDYBPQA-KYJUHHDHSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225551553 571914505 /nfs/dbraw/zinc/91/45/05/571914505.db2.gz BMLFITIYXZRABH-XZWHSSHBSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225551682 571914599 /nfs/dbraw/zinc/91/45/99/571914599.db2.gz GNZPSQPBYHJRSW-AJQTZOPKSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225552123 571914995 /nfs/dbraw/zinc/91/49/95/571914995.db2.gz NEUPIEFUOODCDX-ROJLCIKYSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225552349 571915346 /nfs/dbraw/zinc/91/53/46/571915346.db2.gz WABLYUXOODXJMR-VTIYRKAUSA-N 0 0 565.787 6.978 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225552493 571915370 /nfs/dbraw/zinc/91/53/70/571915370.db2.gz MRDKOTRULMLWTE-JSOSNVBQSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225552382 571915551 /nfs/dbraw/zinc/91/55/51/571915551.db2.gz WABLYUXOODXJMR-CQTOTRCISA-N 0 0 565.787 6.978 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000225552778 571915862 /nfs/dbraw/zinc/91/58/62/571915862.db2.gz ATFMTTLHNIUQJT-JSOSNVBQSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000225561452 571923621 /nfs/dbraw/zinc/92/36/21/571923621.db2.gz DCCXNILTLAAVQN-XZWHSSHBSA-N 0 0 539.705 5.753 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000225562848 571925027 /nfs/dbraw/zinc/92/50/27/571925027.db2.gz MELKYBRTXDYYKL-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225564513 571926381 /nfs/dbraw/zinc/92/63/81/571926381.db2.gz YOIMMBSWBFTIBU-URLMMPGGSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225564651 571927047 /nfs/dbraw/zinc/92/70/47/571927047.db2.gz CKXVNKRYTDXAOT-JHOUSYSJSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000225565241 571927406 /nfs/dbraw/zinc/92/74/06/571927406.db2.gz UTNUDIQYYOKRQF-VMPREFPWSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225567498 571929157 /nfs/dbraw/zinc/92/91/57/571929157.db2.gz YDJJQUMUAJTMFL-FQLXRVMXSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225569215 571930865 /nfs/dbraw/zinc/93/08/65/571930865.db2.gz HQZZQZKVVDQBAO-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225570263 571932083 /nfs/dbraw/zinc/93/20/83/571932083.db2.gz APPDSYAPYHOJPK-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225570900 571932163 /nfs/dbraw/zinc/93/21/63/571932163.db2.gz VXAGTIKESYBYQV-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1C ZINC000225573008 571934057 /nfs/dbraw/zinc/93/40/57/571934057.db2.gz KUKDDOSEVIDSGD-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574419 571934720 /nfs/dbraw/zinc/93/47/20/571934720.db2.gz LZTHPAVUECOSRC-XZWHSSHBSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225574089 571934735 /nfs/dbraw/zinc/93/47/35/571934735.db2.gz VKZRFHITIIIXNB-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225575112 571935441 /nfs/dbraw/zinc/93/54/41/571935441.db2.gz PPKIQTYMUDYPGQ-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225589527 571946005 /nfs/dbraw/zinc/94/60/05/571946005.db2.gz BHIVLKZXECADKX-ROJLCIKYSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000225589897 571946262 /nfs/dbraw/zinc/94/62/62/571946262.db2.gz ZXUVYOXXLOSZNU-VSGBNLITSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000225589983 571946275 /nfs/dbraw/zinc/94/62/75/571946275.db2.gz ZXUVYOXXLOSZNU-NSOVKSMOSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225589617 571946323 /nfs/dbraw/zinc/94/63/23/571946323.db2.gz BHIVLKZXECADKX-ACHIHNKUSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225593028 571948709 /nfs/dbraw/zinc/94/87/09/571948709.db2.gz MTEGFPONTDHDSP-LOYHVIPDSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225593365 571949317 /nfs/dbraw/zinc/94/93/17/571949317.db2.gz KTTNMRGKBJSLSF-WUFINQPMSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225593529 571949387 /nfs/dbraw/zinc/94/93/87/571949387.db2.gz YSPFWJMMBIFTJR-NSOVKSMOSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225595389 571950490 /nfs/dbraw/zinc/95/04/90/571950490.db2.gz BXBBAUYFSXRIKH-IZLXSDGUSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ncccc1C ZINC000225595459 571950751 /nfs/dbraw/zinc/95/07/51/571950751.db2.gz JTRWUAGGHYJBGX-KAYWLYCHSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000225610708 571962939 /nfs/dbraw/zinc/96/29/39/571962939.db2.gz SIEINTBFOVUBRT-WUFINQPMSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC000225610842 571962959 /nfs/dbraw/zinc/96/29/59/571962959.db2.gz IYQUYAFMFKSYCM-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000225612030 571963709 /nfs/dbraw/zinc/96/37/09/571963709.db2.gz XNMVSMYRHJHQCA-IZLXSDGUSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000225612257 571964149 /nfs/dbraw/zinc/96/41/49/571964149.db2.gz YDSSSBVRHVYIPA-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000225612311 571964251 /nfs/dbraw/zinc/96/42/51/571964251.db2.gz YDSSSBVRHVYIPA-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Br ZINC000225612121 571964304 /nfs/dbraw/zinc/96/43/04/571964304.db2.gz OBKVRYBFNYGUDG-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(O)cc1 ZINC000225612631 571964314 /nfs/dbraw/zinc/96/43/14/571964314.db2.gz ZRYKLPCWHVDHIL-WUFINQPMSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1O ZINC000225612514 571964324 /nfs/dbraw/zinc/96/43/24/571964324.db2.gz CYTJJVKBAWBSQU-WUFINQPMSA-N 0 0 529.641 5.335 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615472 571966156 /nfs/dbraw/zinc/96/61/56/571966156.db2.gz ZPDLMQLAFLJEDI-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615418 571966203 /nfs/dbraw/zinc/96/62/03/571966203.db2.gz ZPDLMQLAFLJEDI-WDYNHAJCSA-N 0 0 588.665 5.546 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615513 571966225 /nfs/dbraw/zinc/96/62/25/571966225.db2.gz MNSVOLILGFSZCC-BVRKHOPBSA-N 0 0 555.723 6.500 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ncccc1C ZINC000225615830 571966553 /nfs/dbraw/zinc/96/65/53/571966553.db2.gz UBKDQKNGTQGOPD-RRPNLBNLSA-N 0 0 528.657 5.333 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225622378 571973275 /nfs/dbraw/zinc/97/32/75/571973275.db2.gz JLZFMOGNWKCTPW-FQLXRVMXSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225624617 571976163 /nfs/dbraw/zinc/97/61/63/571976163.db2.gz WMCKKEAQPMLRGX-HEVIKAOCSA-N 0 0 608.812 5.944 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225630055 571981860 /nfs/dbraw/zinc/98/18/60/571981860.db2.gz RUJDFQGIEXLUFN-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Br ZINC000225630104 571982279 /nfs/dbraw/zinc/98/22/79/571982279.db2.gz OFHPNQZCVYJCPD-LOYHVIPDSA-N 0 0 602.602 6.870 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225630790 571982708 /nfs/dbraw/zinc/98/27/08/571982708.db2.gz QNIGNOKRGICYPF-JSOSNVBQSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225630538 571982782 /nfs/dbraw/zinc/98/27/82/571982782.db2.gz QULRZHDIXFCTFI-LOYHVIPDSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225630618 571982845 /nfs/dbraw/zinc/98/28/45/571982845.db2.gz QULRZHDIXFCTFI-KYJUHHDHSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225631268 571983220 /nfs/dbraw/zinc/98/32/20/571983220.db2.gz MGZSSKPMFINIFX-ACHIHNKUSA-N 0 0 566.775 6.173 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1C ZINC000225631631 571983652 /nfs/dbraw/zinc/98/36/52/571983652.db2.gz RTHDUDAVFPTPSX-ROJLCIKYSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225632340 571984536 /nfs/dbraw/zinc/98/45/36/571984536.db2.gz YROHZDSYLWOIFF-IOWSJCHKSA-N 0 0 572.178 7.069 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225632691 571984616 /nfs/dbraw/zinc/98/46/16/571984616.db2.gz QEHHXDCHPBOBBX-CONSDPRKSA-N 0 0 572.178 7.069 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225633084 571984956 /nfs/dbraw/zinc/98/49/56/571984956.db2.gz KQCMNWZDVSIGQZ-VTIYRKAUSA-N 0 0 565.787 6.978 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225633219 571984996 /nfs/dbraw/zinc/98/49/96/571984996.db2.gz VRUAVXSJSGMAME-XZWHSSHBSA-N 0 0 538.721 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ncccc1C ZINC000225633368 571985078 /nfs/dbraw/zinc/98/50/78/571985078.db2.gz DUAYGPWXHKYDTM-VMPREFPWSA-N 0 0 538.721 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225641781 571992167 /nfs/dbraw/zinc/99/21/67/571992167.db2.gz MDWNESYMMGRSJA-JHOUSYSJSA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225646137 571995214 /nfs/dbraw/zinc/99/52/14/571995214.db2.gz TYKGMMRLLVMOGA-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000225646646 571995508 /nfs/dbraw/zinc/99/55/08/571995508.db2.gz MEQYPTLXUHDRQK-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225646722 571995653 /nfs/dbraw/zinc/99/56/53/571995653.db2.gz SUANQRVUIMGGFC-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C ZINC000225646477 571995692 /nfs/dbraw/zinc/99/56/92/571995692.db2.gz CXNLEVSPLXJTEA-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Cl ZINC000225647383 571995982 /nfs/dbraw/zinc/99/59/82/571995982.db2.gz YCDNOBZSLXWGLU-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225647008 571996075 /nfs/dbraw/zinc/99/60/75/571996075.db2.gz DOYPPJMZPZAOCF-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225647694 571996538 /nfs/dbraw/zinc/99/65/38/571996538.db2.gz UWBMSXNQXMFNQC-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1O ZINC000225648156 571997017 /nfs/dbraw/zinc/99/70/17/571997017.db2.gz XKCOIZIQHAGTJI-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648471 571997397 /nfs/dbraw/zinc/99/73/97/571997397.db2.gz CWJLRIDANAKEEV-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000225648328 571997431 /nfs/dbraw/zinc/99/74/31/571997431.db2.gz DTNPKZWPLMSFPU-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225649490 571998125 /nfs/dbraw/zinc/99/81/25/571998125.db2.gz VLQKAMFDNNXIKB-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225649765 571998484 /nfs/dbraw/zinc/99/84/84/571998484.db2.gz RHPCMIWXOKASGA-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225650356 571998972 /nfs/dbraw/zinc/99/89/72/571998972.db2.gz FDCXFXGOEWZTDF-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650657 571999291 /nfs/dbraw/zinc/99/92/91/571999291.db2.gz GIQDKRDPHPQADS-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000225651136 571999404 /nfs/dbraw/zinc/99/94/04/571999404.db2.gz NFZIEBVFNDUXMD-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225663129 572007935 /nfs/dbraw/zinc/00/79/35/572007935.db2.gz IVVNIABWODWBFO-URLMMPGGSA-N 0 0 576.122 5.858 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225666736 572009430 /nfs/dbraw/zinc/00/94/30/572009430.db2.gz OGFYFHTVJOZRRB-VMPREFPWSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225667106 572009803 /nfs/dbraw/zinc/00/98/03/572009803.db2.gz RXEULPSFODLTGV-VMPREFPWSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225667378 572009812 /nfs/dbraw/zinc/00/98/12/572009812.db2.gz XODMNMBNIMHIPL-WDYNHAJCSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225667286 572009850 /nfs/dbraw/zinc/00/98/50/572009850.db2.gz ZDQWEESISROZQL-URLMMPGGSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225667437 572009915 /nfs/dbraw/zinc/00/99/15/572009915.db2.gz XODMNMBNIMHIPL-FQLXRVMXSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225667353 572009953 /nfs/dbraw/zinc/00/99/53/572009953.db2.gz XODMNMBNIMHIPL-VMPREFPWSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225669953 572011605 /nfs/dbraw/zinc/01/16/05/572011605.db2.gz BPKPNVVJSYOLAT-XZWHSSHBSA-N 0 0 574.150 6.461 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225670548 572011887 /nfs/dbraw/zinc/01/18/87/572011887.db2.gz MTUUMIWGUBDMGY-WDYNHAJCSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225670703 572011918 /nfs/dbraw/zinc/01/19/18/572011918.db2.gz DZRYSCBTOLGUDZ-WUFINQPMSA-N 0 0 540.693 5.202 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225670381 572011940 /nfs/dbraw/zinc/01/19/40/572011940.db2.gz BJLROBYZDMZIEB-XLJNKUFUSA-N 0 0 567.759 6.370 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)cc1 ZINC000225677588 572016755 /nfs/dbraw/zinc/01/67/55/572016755.db2.gz CFWUTMWXUKBVNJ-FQLXRVMXSA-N 0 0 541.677 5.199 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225680336 572018189 /nfs/dbraw/zinc/01/81/89/572018189.db2.gz ZOSPGLPLPFBYPS-CZNDPXEESA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225680941 572018670 /nfs/dbraw/zinc/01/86/70/572018670.db2.gz FANTVZIUQJSJHY-VMPREFPWSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225686347 572022848 /nfs/dbraw/zinc/02/28/48/572022848.db2.gz VGNXPEAPWAJETI-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225687263 572023513 /nfs/dbraw/zinc/02/35/13/572023513.db2.gz BUINOWHHAYBONM-IOWSJCHKSA-N 0 0 552.748 5.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225687484 572023554 /nfs/dbraw/zinc/02/35/54/572023554.db2.gz OJUCWHSHNMXCRD-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687343 572023643 /nfs/dbraw/zinc/02/36/43/572023643.db2.gz KERQDLAEHFPLSS-SAIUNTKASA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225687509 572023668 /nfs/dbraw/zinc/02/36/68/572023668.db2.gz OJUCWHSHNMXCRD-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225687600 572024036 /nfs/dbraw/zinc/02/40/36/572024036.db2.gz UWFVTFGLYGLDMQ-URLMMPGGSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225687573 572024062 /nfs/dbraw/zinc/02/40/62/572024062.db2.gz UWFVTFGLYGLDMQ-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(Cl)ccc1C ZINC000225688748 572024845 /nfs/dbraw/zinc/02/48/45/572024845.db2.gz NPJOFLXILAGOBO-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225696815 572029197 /nfs/dbraw/zinc/02/91/97/572029197.db2.gz VBTFEBYUPSTSHE-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225699180 572030782 /nfs/dbraw/zinc/03/07/82/572030782.db2.gz TUKXZEJCSFEVNW-LQFQNGICSA-N 0 0 630.818 6.480 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000225704168 572034718 /nfs/dbraw/zinc/03/47/18/572034718.db2.gz XOWGRHYCKHSCOE-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225704611 572035277 /nfs/dbraw/zinc/03/52/77/572035277.db2.gz BIROKEFKZIVXPK-NOCHOARKSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1F ZINC000225704778 572035560 /nfs/dbraw/zinc/03/55/60/572035560.db2.gz ZKDWXEIQNKIUBU-ACHIHNKUSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1C ZINC000225707048 572037238 /nfs/dbraw/zinc/03/72/38/572037238.db2.gz ZREYMKFIVBMNEX-SZAHLOSFSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225706920 572037260 /nfs/dbraw/zinc/03/72/60/572037260.db2.gz UIMWWSYNZYMPQT-ZWXJPIIXSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cccc1C ZINC000225707238 572037528 /nfs/dbraw/zinc/03/75/28/572037528.db2.gz XZEWGJPYRRGRIX-CWTKIQHKSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225707537 572037596 /nfs/dbraw/zinc/03/75/96/572037596.db2.gz CCXYNMIDHSLVLZ-LQJZCPKCSA-N 0 0 589.721 6.372 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225715772 572044131 /nfs/dbraw/zinc/04/41/31/572044131.db2.gz PJPQSKPSOSUHGO-JHOUSYSJSA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000225750319 572060915 /nfs/dbraw/zinc/06/09/15/572060915.db2.gz CJSPRRDZMYGHAR-HXUWFJFHSA-N 0 0 507.681 5.141 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225792705 572069434 /nfs/dbraw/zinc/06/94/34/572069434.db2.gz AHIADLTXDJEJII-IBGZPJMESA-N 0 0 542.126 5.795 40 10 KKCBRN C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000225839177 572075227 /nfs/dbraw/zinc/07/52/27/572075227.db2.gz MTNGVPWILBXFSD-OAQYLSRUSA-N 0 0 501.696 6.099 40 10 KKCBRN CCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000225858289 572078189 /nfs/dbraw/zinc/07/81/89/572078189.db2.gz JWENVDFXIIZBMI-UHFFFAOYSA-N 0 0 565.717 5.096 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCc3ccccc3C2)cc(N2CCCCCC2)n1 ZINC000225954388 572087083 /nfs/dbraw/zinc/08/70/83/572087083.db2.gz JXQPINMWEMCWDF-UHFFFAOYSA-N 0 0 541.769 5.507 40 10 KKCBRN CC(C)(C)c1ccc(C=C2N=C(SCC(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)N(c3ccccc3)C2=O)cc1 ZINC000261526725 572113081 /nfs/dbraw/zinc/11/30/81/572113081.db2.gz IBUNTADVXAFODB-BWAHOGKJSA-N 0 0 551.672 5.328 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)c(C)c4)N=C3C)cc2)cc1 ZINC000408526327 572157686 /nfs/dbraw/zinc/15/76/86/572157686.db2.gz AZMRRZYDXDLQLA-JLPGSUDCSA-N 0 0 569.481 5.676 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000408528425 572164420 /nfs/dbraw/zinc/16/44/20/572164420.db2.gz FZKIDRIADNNYMZ-HAHDFKILSA-N 0 0 626.393 7.416 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408529105 572166701 /nfs/dbraw/zinc/16/67/01/572166701.db2.gz GXKANGGHHYQZOD-HAHDFKILSA-N 0 0 583.368 7.706 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)cc2)cc1 ZINC000408531696 572176991 /nfs/dbraw/zinc/17/69/91/572176991.db2.gz LFOHGVQGSWIIBA-HAHDFKILSA-N 0 0 569.481 5.594 40 10 KKCBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000408535946 572189806 /nfs/dbraw/zinc/18/98/06/572189806.db2.gz UULDRMZIRXQLMF-BWAHOGKJSA-N 0 0 538.696 6.301 40 10 KKCBRN COc1cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537073 572193470 /nfs/dbraw/zinc/19/34/70/572193470.db2.gz CCAWBUQOARWCGB-UHFFFAOYSA-N 0 0 610.666 7.437 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538800 572199582 /nfs/dbraw/zinc/19/95/82/572199582.db2.gz BWOWKCAPEMCOFP-QRQIAZFYSA-N 0 0 583.084 7.711 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539183 572201134 /nfs/dbraw/zinc/20/11/34/572201134.db2.gz UPWPCTWYZKQJII-UHFFFAOYSA-N 0 0 733.615 8.598 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540804 572207018 /nfs/dbraw/zinc/20/70/18/572207018.db2.gz VZQQJQZPXLRRBV-QRQIAZFYSA-N 0 0 627.535 7.821 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408551217 572235821 /nfs/dbraw/zinc/23/58/21/572235821.db2.gz MLPOGXXQSCIGQR-WGOQTCKBSA-N 0 0 533.625 5.471 40 10 KKCBRN O=C(COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554242 572241724 /nfs/dbraw/zinc/24/17/24/572241724.db2.gz QYVVMDJQJPPDQB-UHFFFAOYSA-N 0 0 586.431 6.594 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2OCC)cc1 ZINC000408571576 572257202 /nfs/dbraw/zinc/25/72/02/572257202.db2.gz BSCYTJMOEUHBBG-HMAPJEAMSA-N 0 0 500.642 5.111 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000408571690 572257242 /nfs/dbraw/zinc/25/72/42/572257242.db2.gz CMWNACSGNPODAE-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000408571960 572257435 /nfs/dbraw/zinc/25/74/35/572257435.db2.gz DNIJACWJKZYHMJ-HAHDFKILSA-N 0 0 617.974 6.573 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000408573198 572258624 /nfs/dbraw/zinc/25/86/24/572258624.db2.gz IZABUAABNKCDCD-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408573706 572259056 /nfs/dbraw/zinc/25/90/56/572259056.db2.gz JZEIQSPYGAQPDH-FMCGGJTJSA-N 0 0 559.496 6.421 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000408573806 572259207 /nfs/dbraw/zinc/25/92/07/572259207.db2.gz KRZKLMRBHMAJLV-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1Cl ZINC000408575288 572260409 /nfs/dbraw/zinc/26/04/09/572260409.db2.gz NQDOJLJNDULTRH-MOSHPQCFSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1 ZINC000408575371 572260445 /nfs/dbraw/zinc/26/04/45/572260445.db2.gz KLGHAIFPCGIQRP-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000408575409 572260492 /nfs/dbraw/zinc/26/04/92/572260492.db2.gz OFEBSNXCMLOHQD-OYKKKHCWSA-N 0 0 523.079 6.376 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408575881 572260882 /nfs/dbraw/zinc/26/08/82/572260882.db2.gz OTUYFSNCIJGZEI-XKZIYDEJSA-N 0 0 573.921 6.834 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000408575894 572260899 /nfs/dbraw/zinc/26/08/99/572260899.db2.gz OURMUDOATSTPRL-XKZIYDEJSA-N 0 0 557.466 6.320 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408576694 572261402 /nfs/dbraw/zinc/26/14/02/572261402.db2.gz QLOFIEPUJQADGI-XKZIYDEJSA-N 0 0 593.941 7.469 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)c(OCC)c3)SC2=S)cc1 ZINC000408576772 572261422 /nfs/dbraw/zinc/26/14/22/572261422.db2.gz RBYHTHIYAMUXPM-QQXSKIMKSA-N 0 0 641.609 7.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408577479 572262021 /nfs/dbraw/zinc/26/20/21/572262021.db2.gz SQRSLOXWMPSJKM-OYKKKHCWSA-N 0 0 617.974 7.233 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000408577826 572262416 /nfs/dbraw/zinc/26/24/16/572262416.db2.gz UORUNIUYOOANKJ-UCQKPKSFSA-N 0 0 567.530 6.485 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000408577916 572262446 /nfs/dbraw/zinc/26/24/46/572262446.db2.gz VRXMGCZQYYMARW-XYGWBWBKSA-N 0 0 534.659 5.513 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000408578169 572262823 /nfs/dbraw/zinc/26/28/23/572262823.db2.gz WKCHKBQJUUUYAP-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408578161 572262837 /nfs/dbraw/zinc/26/28/37/572262837.db2.gz WIBGINVIFJXURV-NHDPSOOVSA-N 0 0 505.061 5.674 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)c(OC)c3)SC2=S)cc1Cl ZINC000408599816 572272226 /nfs/dbraw/zinc/27/22/26/572272226.db2.gz LKYZGUXCYQPGLF-JMIUGGIZSA-N 0 0 508.017 5.093 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000408605293 572274445 /nfs/dbraw/zinc/27/44/45/572274445.db2.gz YHZWTKYJCCWPKC-UFFVCSGVSA-N 0 0 524.853 7.771 40 10 KKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000408605687 572274461 /nfs/dbraw/zinc/27/44/61/572274461.db2.gz YNALKYPADNLYNS-ZVBGSRNCSA-N 0 0 549.556 5.933 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1 ZINC000408605635 572274480 /nfs/dbraw/zinc/27/44/80/572274480.db2.gz YKZXIZRDPDWEIE-YBFXNURJSA-N 0 0 521.458 5.039 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408648339 572301157 /nfs/dbraw/zinc/30/11/57/572301157.db2.gz XWKCIXLIGFRCOY-LJQANCHMSA-N 0 0 501.380 6.386 40 10 KKCBRN CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652804 572304055 /nfs/dbraw/zinc/30/40/55/572304055.db2.gz IJLVYFDMPDNLIW-IJVWAOFVSA-N 0 0 661.585 8.188 40 10 KKCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2nc(-c3ccc(Cl)cc3)cs2)SC1=S ZINC000256055667 572305271 /nfs/dbraw/zinc/30/52/71/572305271.db2.gz PBUIWKZXNCRDBO-KYYPIKSYSA-N 0 0 530.096 5.752 40 10 KKCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408658561 572307290 /nfs/dbraw/zinc/30/72/90/572307290.db2.gz OFDIXOGSXFZTFJ-QBTLLQKSSA-N 0 0 709.629 8.775 40 10 KKCBRN O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408661404 572308973 /nfs/dbraw/zinc/30/89/73/572308973.db2.gz QQLDGPOHTXIJFH-JXXPJMMNSA-N 0 0 633.531 7.554 40 10 KKCBRN CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408661729 572309188 /nfs/dbraw/zinc/30/91/88/572309188.db2.gz CDLAXXKFXSPSRP-UHFFFAOYSA-N 0 0 589.486 7.248 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1Cl ZINC000408663268 572309958 /nfs/dbraw/zinc/30/99/58/572309958.db2.gz HHDCTXVWWARBAQ-UHFFFAOYSA-N 0 0 531.008 6.885 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408665333 572311307 /nfs/dbraw/zinc/31/13/07/572311307.db2.gz LJNOADHIPFGUIG-UHFFFAOYSA-N 0 0 550.533 6.942 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1C ZINC000260569684 572322664 /nfs/dbraw/zinc/32/26/64/572322664.db2.gz RLAOWEUNLRDURQ-WZRHPCBOSA-N 0 0 519.711 6.787 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000260572640 572322728 /nfs/dbraw/zinc/32/27/28/572322728.db2.gz XNVLQCOZCSCCCN-YNJLWJOVSA-N 0 0 507.656 5.791 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000260707636 572323045 /nfs/dbraw/zinc/32/30/45/572323045.db2.gz AKICHEZJESVPEK-VXKWHMMOSA-N 0 0 507.752 5.036 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000102681377 1069705999 /nfs/dbraw/zinc/70/59/99/1069705999.db2.gz QROUYSPRLLANET-MNQDVBFDSA-N 0 0 540.110 6.362 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(Cc2ccccc2)o1)c1ccc(Br)cc1 ZINC000103795972 1069713643 /nfs/dbraw/zinc/71/36/43/1069713643.db2.gz GJVMGKGFRYZZEJ-KRXDYSHKSA-N 0 0 538.383 7.091 40 10 KKCBRN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000106017909 1069715403 /nfs/dbraw/zinc/71/54/03/1069715403.db2.gz IJCYRBDCLUXMOI-VFCFBJKWSA-N 0 0 506.565 7.120 40 10 KKCBRN CCOC(=O)C1=C(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)S[C@@H]2CCCC[C@H]12 ZINC000106956547 1069716199 /nfs/dbraw/zinc/71/61/99/1069716199.db2.gz OCOYFUKUEYWWIM-ILECSRIDSA-N 0 0 537.128 5.128 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000408727131 1069736395 /nfs/dbraw/zinc/73/63/95/1069736395.db2.gz OSIPOULRFXBMSN-JCMHNJIXSA-N 0 0 593.508 6.443 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408866562 1069747580 /nfs/dbraw/zinc/74/75/80/1069747580.db2.gz GWTNPMLQWAGMHF-UHFFFAOYSA-N 0 0 548.664 6.721 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409123703 1069779905 /nfs/dbraw/zinc/77/99/05/1069779905.db2.gz IFHLLIALHDYERE-BKUYFWCQSA-N 0 0 541.398 5.576 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409134973 1069786014 /nfs/dbraw/zinc/78/60/14/1069786014.db2.gz OYYGCKQLOOBJCJ-UCQKPKSFSA-N 0 0 554.535 5.470 40 10 KKCBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1 ZINC000409163253 1069792288 /nfs/dbraw/zinc/79/22/88/1069792288.db2.gz OKAHMNYPVYVJMY-YVNNLAQVSA-N 0 0 546.501 6.798 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185606 1069797884 /nfs/dbraw/zinc/79/78/84/1069797884.db2.gz NGMVJYWMCHAFPB-AMMKBXEKSA-N 0 0 622.703 5.997 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409213292 1069800771 /nfs/dbraw/zinc/80/07/71/1069800771.db2.gz UARGMCCAWLAJJL-JVWAILMASA-N 0 0 515.034 7.567 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409343346 1069805853 /nfs/dbraw/zinc/80/58/53/1069805853.db2.gz GWLSUOZUEGCACI-MSXFZWOLSA-N 0 0 513.600 5.415 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1C ZINC000409359788 1069806623 /nfs/dbraw/zinc/80/66/23/1069806623.db2.gz NOGBXSRCZORIAD-FSJBWODESA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408767453 1069869323 /nfs/dbraw/zinc/86/93/23/1069869323.db2.gz XTUJKJBMFXWBCO-PXLXIMEGSA-N 0 0 526.228 6.445 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408773843 1069888150 /nfs/dbraw/zinc/88/81/50/1069888150.db2.gz SYJYCVXOFZTSDZ-UUYOSTAYSA-N 0 0 571.844 6.542 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408779282 1069900021 /nfs/dbraw/zinc/90/00/21/1069900021.db2.gz CSVGFTLIOQFKJP-UQQQWYQISA-N 0 0 500.526 5.111 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408780036 1069902251 /nfs/dbraw/zinc/90/22/51/1069902251.db2.gz QRGCYFPFDBYUIX-HAHDFKILSA-N 0 0 509.433 6.316 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408782824 1069908417 /nfs/dbraw/zinc/90/84/17/1069908417.db2.gz JYTIPNDRKCCVKA-SOJUGJLBSA-N 0 0 627.553 6.941 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cccc(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408786030 1069920781 /nfs/dbraw/zinc/92/07/81/1069920781.db2.gz FIBNOBSMMBQJDU-YWEMJKAQSA-N 0 0 646.769 5.467 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408805981 1069955082 /nfs/dbraw/zinc/95/50/82/1069955082.db2.gz DJGVUZMGAAADFZ-GTTXDWGESA-N 0 0 549.558 7.911 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408805871 1069955087 /nfs/dbraw/zinc/95/50/87/1069955087.db2.gz LYWINUBXQCVYHS-NOZJCEDTSA-N 0 0 526.770 8.446 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408807950 1069958023 /nfs/dbraw/zinc/95/80/23/1069958023.db2.gz LROPFZIIRZXKQM-PLNPHXOGSA-N 0 0 591.708 5.791 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408830372 1070017758 /nfs/dbraw/zinc/01/77/58/1070017758.db2.gz PEKZLCPZVZNYBJ-HRISCLKESA-N 0 0 665.787 6.323 40 10 KKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 ZINC000408839801 1070041712 /nfs/dbraw/zinc/04/17/12/1070041712.db2.gz AMMXHEQXURHZPK-UDWIEESQSA-N 0 0 502.195 6.599 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Br)cc2)cc1 ZINC000408840653 1070042901 /nfs/dbraw/zinc/04/29/01/1070042901.db2.gz DUVISNPNMMUAPL-LPYMAVHISA-N 0 0 516.222 6.989 40 10 KKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Br)cc2)N1c1cccc(Br)c1 ZINC000408841555 1070044493 /nfs/dbraw/zinc/04/44/93/1070044493.db2.gz JSMFETSOPROVQN-XDHOZWIPSA-N 0 0 527.172 5.954 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408838015 1070047511 /nfs/dbraw/zinc/04/75/11/1070047511.db2.gz QLKGMVPAGBVENZ-WYEJZRMESA-N 0 0 531.277 8.170 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000408846866 1070055001 /nfs/dbraw/zinc/05/50/01/1070055001.db2.gz ROLTUHWSUSJEFS-MRWVFDTMSA-N 0 0 582.556 7.033 40 10 KKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408864535 1070081006 /nfs/dbraw/zinc/08/10/06/1070081006.db2.gz WUUALFBYLXKMNA-UZEJHQAJSA-N 0 0 595.748 8.832 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408864531 1070081269 /nfs/dbraw/zinc/08/12/69/1070081269.db2.gz WYBVYZSCCSJNNA-BUEREQSYSA-N 0 0 538.869 7.719 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408865443 1070082736 /nfs/dbraw/zinc/08/27/36/1070082736.db2.gz COONALOJSJUCRZ-BKUYFWCQSA-N 0 0 522.960 5.686 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3ccccc3Br)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408867650 1070088042 /nfs/dbraw/zinc/08/80/42/1070088042.db2.gz MCNGERQBOZXNGR-UHFFFAOYSA-N 0 0 632.377 7.551 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408868262 1070089589 /nfs/dbraw/zinc/08/95/89/1070089589.db2.gz PCHPFNHILZOXJT-JJFYIABZSA-N 0 0 639.437 6.701 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408869004 1070090845 /nfs/dbraw/zinc/09/08/45/1070090845.db2.gz QFLXHYTZWLJGRY-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408880210 1070105854 /nfs/dbraw/zinc/10/58/54/1070105854.db2.gz GOKLTFPLIYIFNH-UHFFFAOYSA-N 0 0 662.524 7.168 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408876850 1070111304 /nfs/dbraw/zinc/11/13/04/1070111304.db2.gz OJDONDXFVDWVIJ-UHFFFAOYSA-N 0 0 625.588 7.804 40 10 KKCBRN COc1ccc(C)c2c1N[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408877331 1070111817 /nfs/dbraw/zinc/11/18/17/1070111817.db2.gz UWFOHBOYUKNWMP-SWYRRKHMSA-N 0 0 506.440 7.180 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408884424 1070119201 /nfs/dbraw/zinc/11/92/01/1070119201.db2.gz UJYOQPQVOVJHOC-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408885910 1070121644 /nfs/dbraw/zinc/12/16/44/1070121644.db2.gz GQUJJLGKZNEHME-UHFFFAOYSA-N 0 0 662.455 6.991 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408882023 1070125079 /nfs/dbraw/zinc/12/50/79/1070125079.db2.gz MVLPOCSWGBREKX-MTJSOVHGSA-N 0 0 575.403 5.513 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408887927 1070139538 /nfs/dbraw/zinc/13/95/38/1070139538.db2.gz SDJRDJFGEZVMKS-UHFFFAOYSA-N 0 0 619.120 6.173 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408904613 1070177444 /nfs/dbraw/zinc/17/74/44/1070177444.db2.gz METLZJVMVMIGFC-FYJGNVAPSA-N 0 0 567.383 5.123 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902774 1070184290 /nfs/dbraw/zinc/18/42/90/1070184290.db2.gz RFWFRWQKERLXDS-UDWIEESQSA-N 0 0 689.765 7.534 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408903565 1070187808 /nfs/dbraw/zinc/18/78/08/1070187808.db2.gz ZUEBCELHPFXMLG-UDWIEESQSA-N 0 0 526.228 6.597 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(C)c1 ZINC000408903543 1070187198 /nfs/dbraw/zinc/18/71/98/1070187198.db2.gz ZLUHEAYJZCVZAD-OEAKJJBVSA-N 0 0 552.412 6.383 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408907866 1070191747 /nfs/dbraw/zinc/19/17/47/1070191747.db2.gz PPEDLWHDBWEAMD-NDZAJKAJSA-N 0 0 617.123 6.197 40 10 KKCBRN Cc1ccc(Sc2oc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408914020 1070211999 /nfs/dbraw/zinc/21/19/99/1070211999.db2.gz XAYLFNDBHFUITB-UHFFFAOYSA-N 0 0 575.509 7.250 40 10 KKCBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1 ZINC000408920710 1070227138 /nfs/dbraw/zinc/22/71/38/1070227138.db2.gz KRWZGWWGCYDJKK-FUFNRSNVSA-N 0 0 636.637 6.079 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408927360 1070246415 /nfs/dbraw/zinc/24/64/15/1070246415.db2.gz WAQUQVXPNVXAMV-QUNTYYFUSA-N 0 0 697.664 6.229 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408928776 1070252567 /nfs/dbraw/zinc/25/25/67/1070252567.db2.gz IJQPKKKTDFPOTI-FOKLQQMPSA-N 0 0 556.457 6.288 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933480 1070265853 /nfs/dbraw/zinc/26/58/53/1070265853.db2.gz AYCQGZVCHFACSX-ZFWDJNJRSA-N 0 0 582.509 5.131 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408937662 1070292194 /nfs/dbraw/zinc/29/21/94/1070292194.db2.gz JIAPFPJCMUMEBL-LFVJCYFKSA-N 0 0 515.396 7.168 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408938003 1070293437 /nfs/dbraw/zinc/29/34/37/1070293437.db2.gz KCOLNKHASWOOBI-FYJGNVAPSA-N 0 0 509.787 6.123 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1F ZINC000408944811 1070298468 /nfs/dbraw/zinc/29/84/68/1070298468.db2.gz VKPMCGRZLXLXQX-FYJGNVAPSA-N 0 0 537.385 6.008 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000408943322 1070304504 /nfs/dbraw/zinc/30/45/04/1070304504.db2.gz RSHFSONEMQKRGH-WGOQTCKBSA-N 0 0 569.455 7.022 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408947658 1070311929 /nfs/dbraw/zinc/31/19/29/1070311929.db2.gz QQPSKHFNYUVWDJ-AUTFUCJRSA-N 0 0 600.499 5.270 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1I ZINC000408971020 1070335154 /nfs/dbraw/zinc/33/51/54/1070335154.db2.gz FWQQBRPZGCNUNE-JYRVWZFOSA-N 0 0 612.127 5.643 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(Br)cc1OCc1ccccc1 ZINC000408971381 1070335631 /nfs/dbraw/zinc/33/56/31/1070335631.db2.gz NOJVQJSGRBGVCA-UNOMPAQXSA-N 0 0 531.328 6.385 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408979390 1070344068 /nfs/dbraw/zinc/34/40/68/1070344068.db2.gz CICMDOVDKALKAX-ADUBFANXSA-N 0 0 617.771 5.969 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408979933 1070344374 /nfs/dbraw/zinc/34/43/74/1070344374.db2.gz DPFYBVWKDDENCW-GSASKQFNSA-N 0 0 587.745 5.960 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(-c5ccccc5)cc4)C3=O)o2)cc1 ZINC000408986617 1070348294 /nfs/dbraw/zinc/34/82/94/1070348294.db2.gz RNDOXKUJTLNTHM-QUPMIFSKSA-N 0 0 523.588 7.872 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3cccc4cccnc43)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408987974 1070351107 /nfs/dbraw/zinc/35/11/07/1070351107.db2.gz CFIYWXILGGILRT-UHFFFAOYSA-N 0 0 533.634 6.727 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408984141 1070352199 /nfs/dbraw/zinc/35/21/99/1070352199.db2.gz PUVBHBKMWWARKX-UCQKPKSFSA-N 0 0 563.448 5.964 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408996006 1070364651 /nfs/dbraw/zinc/36/46/51/1070364651.db2.gz GLARFWLCYQJPIJ-UHFFFAOYSA-N 0 0 505.643 6.459 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408989029 1070361713 /nfs/dbraw/zinc/36/17/13/1070361713.db2.gz GOVJOANBXLNKLZ-UHFFFAOYSA-N 0 0 650.782 7.308 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc(C)c(C)c1 ZINC000408988978 1070361896 /nfs/dbraw/zinc/36/18/96/1070361896.db2.gz SVZKPUXBULLOTH-KEPJHFNWSA-N 0 0 574.146 5.865 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408997544 1070367212 /nfs/dbraw/zinc/36/72/12/1070367212.db2.gz NCBJDAWBOBGTTB-UCQKPKSFSA-N 0 0 551.426 5.566 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409004595 1070380030 /nfs/dbraw/zinc/38/00/30/1070380030.db2.gz AQMGQRLZKJSKRI-UHFFFAOYSA-N 0 0 575.621 5.995 40 10 KKCBRN CCCCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000409004498 1070379550 /nfs/dbraw/zinc/37/95/50/1070379550.db2.gz AHTWEPJJERPEMM-UHFFFAOYSA-N 0 0 506.627 6.767 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409003489 1070385226 /nfs/dbraw/zinc/38/52/26/1070385226.db2.gz HKTDFAQSKFMPPX-FYJGNVAPSA-N 0 0 568.413 5.027 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000409006817 1070382757 /nfs/dbraw/zinc/38/27/57/1070382757.db2.gz LEMDVGREXMFLNJ-UHFFFAOYSA-N 0 0 547.636 5.761 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2)cc1C ZINC000409006780 1070383039 /nfs/dbraw/zinc/38/30/39/1070383039.db2.gz KWNLOUUCRDQFSE-UHFFFAOYSA-N 0 0 561.663 6.069 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000409007090 1070383181 /nfs/dbraw/zinc/38/31/81/1070383181.db2.gz MVOPVBVQEGRZDX-COEJQBHMSA-N 0 0 575.690 6.378 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)SC1=S ZINC000409007034 1070383444 /nfs/dbraw/zinc/38/34/44/1070383444.db2.gz MZZLJPDDWAZZFQ-SXGWCWSVSA-N 0 0 531.266 6.151 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)SC1=S ZINC000409008018 1070384768 /nfs/dbraw/zinc/38/47/68/1070384768.db2.gz UQBNXUDGKPYVGL-IUXPMGMMSA-N 0 0 550.270 6.398 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000409003794 1070385676 /nfs/dbraw/zinc/38/56/76/1070385676.db2.gz UYKPGZAMDZFASS-KQWNVCNZSA-N 0 0 516.981 5.230 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409009161 1070386525 /nfs/dbraw/zinc/38/65/25/1070386525.db2.gz BTIUPOWVDBKATN-STBIYBPSSA-N 0 0 671.986 7.508 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009559 1070387266 /nfs/dbraw/zinc/38/72/66/1070387266.db2.gz GFAKMIJWUCIBHY-HBBBGIDPSA-N 0 0 610.732 6.413 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409012345 1070390201 /nfs/dbraw/zinc/39/02/01/1070390201.db2.gz QQKOYDAAEIPEHS-BKUYFWCQSA-N 0 0 525.830 6.387 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409015631 1070395595 /nfs/dbraw/zinc/39/55/95/1070395595.db2.gz CSUHCSNCEMFFIP-CYGYJLBOSA-N 0 0 608.789 5.471 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409014265 1070394354 /nfs/dbraw/zinc/39/43/54/1070394354.db2.gz WUSHRBPDVIDZRX-WOJGMQOQSA-N 0 0 623.276 6.025 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409014873 1070394517 /nfs/dbraw/zinc/39/45/17/1070394517.db2.gz QMOOWWCPCMAWJB-FMFFXOCNSA-N 0 0 659.204 7.517 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000409021263 1070397964 /nfs/dbraw/zinc/39/79/64/1070397964.db2.gz ZQWNRLVMASOGHQ-LPYMAVHISA-N 0 0 587.938 5.084 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409021281 1070398133 /nfs/dbraw/zinc/39/81/33/1070398133.db2.gz ZXGOOIXSFZRAKM-CAUNFOBBSA-N 0 0 582.440 5.275 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409023486 1070401679 /nfs/dbraw/zinc/40/16/79/1070401679.db2.gz FAJFYVXIJGSXFJ-GWXNNEATSA-N 0 0 617.771 6.050 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409018898 1070402160 /nfs/dbraw/zinc/40/21/60/1070402160.db2.gz YECMKOYOYQTLKD-GNZKFENCSA-N 0 0 660.840 6.196 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000409029903 1070411695 /nfs/dbraw/zinc/41/16/95/1070411695.db2.gz CWZFYQNMOWZMRV-LICLKQGHSA-N 0 0 536.884 6.819 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409030547 1070413813 /nfs/dbraw/zinc/41/38/13/1070413813.db2.gz DUBLNPXYHZBVIQ-YHYXMXQVSA-N 0 0 552.237 5.200 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OC(C)=O ZINC000409031979 1070418398 /nfs/dbraw/zinc/41/83/98/1070418398.db2.gz BUWAGSDBQXOJQK-WZUFQYTHSA-N 0 0 580.247 5.117 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(F)c1 ZINC000409032246 1070419148 /nfs/dbraw/zinc/41/91/48/1070419148.db2.gz MBYCCGOZJVMWJU-LICLKQGHSA-N 0 0 520.429 6.305 40 10 KKCBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1[N+](=O)[O-] ZINC000409033863 1070424617 /nfs/dbraw/zinc/42/46/17/1070424617.db2.gz MOTBXWFEDQCJNU-SOUAVXJDSA-N 0 0 548.262 6.036 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033933 1070425167 /nfs/dbraw/zinc/42/51/67/1070425167.db2.gz GCCPJWIMTWZCDA-OIUASMPBSA-N 0 0 644.750 5.218 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409034073 1070425204 /nfs/dbraw/zinc/42/52/04/1070425204.db2.gz NCDZOFSEXWDYHY-LZYBPNLTSA-N 0 0 660.231 7.691 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000409038684 1070429101 /nfs/dbraw/zinc/42/91/01/1070429101.db2.gz QCNUVEOODWMBQW-CXUHLZMHSA-N 0 0 522.857 6.429 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000409039571 1070431334 /nfs/dbraw/zinc/43/13/34/1070431334.db2.gz WXPHQPUWARWZNG-KEPJHFNWSA-N 0 0 760.492 6.362 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409039948 1070437716 /nfs/dbraw/zinc/43/77/16/1070437716.db2.gz RQTGJYYSHGRKJG-DHDCSXOGSA-N 0 0 527.276 7.074 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000409040164 1070441656 /nfs/dbraw/zinc/44/16/56/1070441656.db2.gz XUZFQBKDCXRETG-OVCLIPMQSA-N 0 0 522.857 6.429 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)SC1=S ZINC000409043143 1070448812 /nfs/dbraw/zinc/44/88/12/1070448812.db2.gz ZSCADCGJNFAVGS-NVMNQCDNSA-N 0 0 653.320 6.471 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SC1=S ZINC000409050452 1070465294 /nfs/dbraw/zinc/46/52/94/1070465294.db2.gz VUSINJVWAJLJMC-NVMNQCDNSA-N 0 0 669.775 6.985 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409051720 1070467425 /nfs/dbraw/zinc/46/74/25/1070467425.db2.gz CFEQTACMGFTNDQ-KSEXSDGBSA-N 0 0 609.394 8.053 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409058890 1070471499 /nfs/dbraw/zinc/47/14/99/1070471499.db2.gz ZEQLEWYNCOIVDT-OYKKKHCWSA-N 0 0 528.070 7.167 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409061836 1070477631 /nfs/dbraw/zinc/47/76/31/1070477631.db2.gz ITTNFAVXNPWPMF-IMRQLAEWSA-N 0 0 528.649 5.643 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409062800 1070478343 /nfs/dbraw/zinc/47/83/43/1070478343.db2.gz AXDGTHQLIKPBAX-IYVASWNSSA-N 0 0 596.536 5.521 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409062801 1070478371 /nfs/dbraw/zinc/47/83/71/1070478371.db2.gz AXDGTHQLIKPBAX-ORVZPOCUSA-N 0 0 596.536 5.521 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(I)cc2)c1 ZINC000409064503 1070480269 /nfs/dbraw/zinc/48/02/69/1070480269.db2.gz PQSOOPASBNTENL-QXPFVDMISA-N 0 0 715.657 8.082 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084003 1070509417 /nfs/dbraw/zinc/50/94/17/1070509417.db2.gz VBEIIVARELWJJZ-WSLMLHKMSA-N 0 0 587.330 6.310 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409084083 1070509425 /nfs/dbraw/zinc/50/94/25/1070509425.db2.gz WLIHUBORACXEOL-DZGUVLCISA-N 0 0 708.337 5.763 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409085237 1070511156 /nfs/dbraw/zinc/51/11/56/1070511156.db2.gz YQOZHLUXGUMPKV-ISRVBRPNSA-N 0 0 524.889 6.062 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409085084 1070511323 /nfs/dbraw/zinc/51/13/23/1070511323.db2.gz RHBKTQUSADACDF-ZWTBYVTRSA-N 0 0 658.977 5.769 40 10 KKCBRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)NC1=S ZINC000409077891 1070513062 /nfs/dbraw/zinc/51/30/62/1070513062.db2.gz BBCMOXUIQOZRTL-MFOYZWKCSA-N 0 0 500.245 5.803 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078677 1070514088 /nfs/dbraw/zinc/51/40/88/1070514088.db2.gz HVKLPLCVFJQGJD-UHFFFAOYSA-N 0 0 614.954 6.541 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccccc1 ZINC000409087369 1070520706 /nfs/dbraw/zinc/52/07/06/1070520706.db2.gz TWPIVBKHHGKKDW-UQQQWYQISA-N 0 0 586.429 6.713 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409088712 1070522373 /nfs/dbraw/zinc/52/23/73/1070522373.db2.gz GRDFAAZGHWFVOK-GKTKDVHMSA-N 0 0 746.465 5.890 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091244 1070526624 /nfs/dbraw/zinc/52/66/24/1070526624.db2.gz SAEJHCYLWJYWNZ-OKMHPQNISA-N 0 0 693.664 5.442 40 10 KKCBRN COC(=O)COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1 ZINC000409097912 1070531082 /nfs/dbraw/zinc/53/10/82/1070531082.db2.gz HTIPDOMKTJJBSL-LPYMAVHISA-N 0 0 522.579 5.036 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409108745 1070542695 /nfs/dbraw/zinc/54/26/95/1070542695.db2.gz VQBHXMSSRLICHU-JVWAILMASA-N 0 0 653.982 8.479 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409123737 1070544310 /nfs/dbraw/zinc/54/43/10/1070544310.db2.gz HSQITEKFVPYKJR-RMORIDSASA-N 0 0 538.467 6.388 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409127032 1070554824 /nfs/dbraw/zinc/55/48/24/1070554824.db2.gz BWWAVQMCTYCLLD-MTJSOVHGSA-N 0 0 501.833 7.059 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409129637 1070556636 /nfs/dbraw/zinc/55/66/36/1070556636.db2.gz VGOITVZMYNHWTJ-IMRQLAEWSA-N 0 0 546.718 6.437 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)SC2=S)cc1 ZINC000409138101 1070562262 /nfs/dbraw/zinc/56/22/62/1070562262.db2.gz ZXLASQIZCSQRFB-QRVIBDJDSA-N 0 0 527.509 6.575 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409140432 1070563771 /nfs/dbraw/zinc/56/37/71/1070563771.db2.gz FFWGLWTVVQYEDW-CFRMEGHHSA-N 0 0 504.080 6.702 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409148546 1070566515 /nfs/dbraw/zinc/56/65/15/1070566515.db2.gz ZTGNDAWBXWYDGS-BHGWPJFGSA-N 0 0 586.953 7.504 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409148578 1070566747 /nfs/dbraw/zinc/56/67/47/1070566747.db2.gz ZZEFUGQMPNIYQH-OYKKKHCWSA-N 0 0 523.510 7.965 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142525 1070569736 /nfs/dbraw/zinc/56/97/36/1070569736.db2.gz ANTBCANZMXQUKS-AUEPDCJTSA-N 0 0 680.459 7.379 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409153028 1070577611 /nfs/dbraw/zinc/57/76/11/1070577611.db2.gz GTJGCCNPXXCFRG-VULFUBBASA-N 0 0 638.102 5.787 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409165808 1070583751 /nfs/dbraw/zinc/58/37/51/1070583751.db2.gz AGSDPMRCQAMMTG-WYEJZRMESA-N 0 0 564.829 8.535 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166879 1070584791 /nfs/dbraw/zinc/58/47/91/1070584791.db2.gz GBTFXWYRSYAPBH-DLSWINDVSA-N 0 0 538.485 8.530 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184561 1070604155 /nfs/dbraw/zinc/60/41/55/1070604155.db2.gz GYMIMRFIZMBBIX-GXKDRIIESA-N 0 0 841.743 8.801 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185349 1070604855 /nfs/dbraw/zinc/60/48/55/1070604855.db2.gz KTUNMPYAVSGIPE-RQBSVBTHSA-N 0 0 801.590 9.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182450 1070600288 /nfs/dbraw/zinc/60/02/88/1070600288.db2.gz LABBVNTWCFWMJP-DGWBYFALSA-N 0 0 750.292 8.850 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185693 1070605376 /nfs/dbraw/zinc/60/53/76/1070605376.db2.gz OSURDMZHONBFGO-DNYVEQBTSA-N 0 0 670.835 7.496 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409183114 1070601801 /nfs/dbraw/zinc/60/18/01/1070601801.db2.gz RINDYCJZKKQJBN-HYARGMPZSA-N 0 0 650.947 6.469 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2c(C)[nH]c3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183648 1070602418 /nfs/dbraw/zinc/60/24/18/1070602418.db2.gz CTBKQALDFIJVKD-CWSRGIOCSA-N 0 0 600.744 6.870 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OC(C)=O)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183373 1070602500 /nfs/dbraw/zinc/60/25/00/1070602500.db2.gz BPLJQLIOHNGTHM-QBMFFJCHSA-N 0 0 714.638 6.776 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185771 1070605517 /nfs/dbraw/zinc/60/55/17/1070605517.db2.gz PVDAKCAANLAFOG-WFQVFFQTSA-N 0 0 867.762 8.391 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186171 1070606320 /nfs/dbraw/zinc/60/63/20/1070606320.db2.gz YATLFIQAKRWUNW-ZCXZDSKVSA-N 0 0 764.923 9.205 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1 ZINC000409196079 1070615738 /nfs/dbraw/zinc/61/57/38/1070615738.db2.gz NBHAVHZWWYTDOW-FYJGNVAPSA-N 0 0 526.433 6.083 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409197795 1070618752 /nfs/dbraw/zinc/61/87/52/1070618752.db2.gz PAWVJFPVSQQFDW-WGOQTCKBSA-N 0 0 623.537 7.746 40 10 KKCBRN O=C1C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409207595 1070623096 /nfs/dbraw/zinc/62/30/96/1070623096.db2.gz YHAIXGNHTBDQJQ-UHFFFAOYSA-N 0 0 563.682 7.591 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409205981 1070632498 /nfs/dbraw/zinc/63/24/98/1070632498.db2.gz LGQPCYDQSDQCQV-OYKKKHCWSA-N 0 0 583.529 6.580 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409225412 1070642917 /nfs/dbraw/zinc/64/29/17/1070642917.db2.gz PNRGPMSTRDAZJS-WSDLNYQXSA-N 0 0 529.843 6.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409237847 1070654123 /nfs/dbraw/zinc/65/41/23/1070654123.db2.gz XMPGKOABXVMMEW-XLFQKYORSA-N 0 0 573.523 6.982 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000409246522 1070663477 /nfs/dbraw/zinc/66/34/77/1070663477.db2.gz CHJJMZUOZKEPAQ-STZFKDTASA-N 0 0 563.539 6.039 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409244823 1070662013 /nfs/dbraw/zinc/66/20/13/1070662013.db2.gz JEEYZGKVUSJXNE-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1C ZINC000409250390 1070667048 /nfs/dbraw/zinc/66/70/48/1070667048.db2.gz KUHGSVBZDCTNMX-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2Cl)cc1 ZINC000409250055 1070667118 /nfs/dbraw/zinc/66/71/18/1070667118.db2.gz LDULRCFOLZAQRC-UQQQWYQISA-N 0 0 537.106 6.364 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409242251 1070670009 /nfs/dbraw/zinc/67/00/09/1070670009.db2.gz WICCSUBUGWCNCO-UWVJOHFNSA-N 0 0 590.348 6.011 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409254378 1070672793 /nfs/dbraw/zinc/67/27/93/1070672793.db2.gz ILBHRRDRJCXLJY-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409255691 1070674732 /nfs/dbraw/zinc/67/47/32/1070674732.db2.gz IHDURZAXEFNWEF-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409255985 1070675432 /nfs/dbraw/zinc/67/54/32/1070675432.db2.gz NBZCIELWSRZMHL-UCQKPKSFSA-N 0 0 525.051 6.162 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409257719 1070678191 /nfs/dbraw/zinc/67/81/91/1070678191.db2.gz UNPXIENLQPILGA-UCQKPKSFSA-N 0 0 522.623 5.874 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000409257899 1070678302 /nfs/dbraw/zinc/67/83/02/1070678302.db2.gz UHLSKKPLIFYZLJ-GEWRUKCFSA-N 0 0 543.497 6.973 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000409258681 1070679890 /nfs/dbraw/zinc/67/98/90/1070679890.db2.gz YSFHQUAGDNDJNJ-ODLFYWEKSA-N 0 0 519.486 5.693 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409252055 1070682479 /nfs/dbraw/zinc/68/24/79/1070682479.db2.gz RRJOIRJCLIACRB-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)c1 ZINC000409267537 1070692667 /nfs/dbraw/zinc/69/26/67/1070692667.db2.gz NLACQAKDQWEGDA-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409268117 1070693284 /nfs/dbraw/zinc/69/32/84/1070693284.db2.gz PZLZTGBTCJJJJA-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409259817 1070694915 /nfs/dbraw/zinc/69/49/15/1070694915.db2.gz FZSLFSNHJFLMSL-UHFFFAOYSA-N 0 0 566.013 6.249 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2OC)cc1 ZINC000409260249 1070695652 /nfs/dbraw/zinc/69/56/52/1070695652.db2.gz NHTOYKDXQKQBMG-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409261284 1070696884 /nfs/dbraw/zinc/69/68/84/1070696884.db2.gz CGYBRFNZIQNOSD-KEBDBYFISA-N 0 0 612.864 5.412 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000409261650 1070697833 /nfs/dbraw/zinc/69/78/33/1070697833.db2.gz CJTPMYZRHJGRNC-WQRHYEAKSA-N 0 0 511.452 5.631 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S ZINC000409262044 1070698541 /nfs/dbraw/zinc/69/85/41/1070698541.db2.gz DIMXTICLPYTGDY-XYLCRUHJSA-N 0 0 542.604 6.685 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409264201 1070701278 /nfs/dbraw/zinc/70/12/78/1070701278.db2.gz NSVLHIRUEMSHCF-CXTZRUPXSA-N 0 0 518.660 6.065 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1 ZINC000409270167 1070705216 /nfs/dbraw/zinc/70/52/16/1070705216.db2.gz CSLRYURCDHAHDA-UQQQWYQISA-N 0 0 517.676 5.738 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000409272541 1070710449 /nfs/dbraw/zinc/71/04/49/1070710449.db2.gz ZSFYOVFHSOIRCG-HAHDFKILSA-N 0 0 524.067 5.829 40 10 KKCBRN CN(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1Br ZINC000409274847 1070717099 /nfs/dbraw/zinc/71/70/99/1070717099.db2.gz QJYUVACGRDCTNM-ZDLGFXPLSA-N 0 0 524.234 5.197 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408880295 1070789365 /nfs/dbraw/zinc/78/93/65/1070789365.db2.gz HEHADMDEFQNIFJ-FMFFXOCNSA-N 0 0 659.204 7.517 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408880083 1070790050 /nfs/dbraw/zinc/79/00/50/1070790050.db2.gz IXACAKRHNASOHV-UHFFFAOYSA-N 0 0 647.503 6.117 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408879366 1070794149 /nfs/dbraw/zinc/79/41/49/1070794149.db2.gz FOCWQUPDKHXIAM-UHFFFAOYSA-N 0 0 569.480 6.776 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408879153 1070797061 /nfs/dbraw/zinc/79/70/61/1070797061.db2.gz BWFWNDLRZIETLR-UHFFFAOYSA-N 0 0 658.492 7.161 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408878737 1070797520 /nfs/dbraw/zinc/79/75/20/1070797520.db2.gz CYTIGMHCXXEVNH-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000408877787 1070805259 /nfs/dbraw/zinc/80/52/59/1070805259.db2.gz WZDVGGOFTAQCMO-WGARJPEWSA-N 0 0 579.600 6.950 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408877704 1070806429 /nfs/dbraw/zinc/80/64/29/1070806429.db2.gz XWAOAOHYZLXLNE-UHFFFAOYSA-N 0 0 609.520 7.639 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409328812 1070830153 /nfs/dbraw/zinc/83/01/53/1070830153.db2.gz BDPLIHTXUQMBTR-WSDLNYQXSA-N 0 0 604.447 6.193 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409333438 1070838477 /nfs/dbraw/zinc/83/84/77/1070838477.db2.gz SKBLTXIGYXOADP-HAHDFKILSA-N 0 0 512.052 6.732 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409329189 1070831456 /nfs/dbraw/zinc/83/14/56/1070831456.db2.gz DTDMHPLYJQHEDZ-FYJGNVAPSA-N 0 0 685.346 6.889 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409329722 1070832048 /nfs/dbraw/zinc/83/20/48/1070832048.db2.gz HRBWQPKXQCNPAF-YUMHPJSZSA-N 0 0 566.531 8.530 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896452 1070832265 /nfs/dbraw/zinc/83/22/65/1070832265.db2.gz NSFCQICGOFICJV-UHFFFAOYSA-N 0 0 677.598 6.672 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408896483 1070833264 /nfs/dbraw/zinc/83/32/64/1070833264.db2.gz RKNCLGUPIBSPPD-UHFFFAOYSA-N 0 0 676.361 7.773 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409330638 1070834178 /nfs/dbraw/zinc/83/41/78/1070834178.db2.gz LFHJLTFCAXCUER-MXAYSNPKSA-N 0 0 601.374 8.894 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409331664 1070835440 /nfs/dbraw/zinc/83/54/40/1070835440.db2.gz OFCHOCQXIPJUMR-NKVSQWTQSA-N 0 0 585.759 8.394 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408896171 1070836188 /nfs/dbraw/zinc/83/61/88/1070836188.db2.gz PRQPZCURCGSLKD-UHFFFAOYSA-N 0 0 647.978 7.829 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409332376 1070836690 /nfs/dbraw/zinc/83/66/90/1070836690.db2.gz QKBUROPNLJUCAH-CFRMEGHHSA-N 0 0 541.595 6.911 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409332311 1070836807 /nfs/dbraw/zinc/83/68/07/1070836807.db2.gz QQTAQMULYCYAHL-RMORIDSASA-N 0 0 547.891 8.195 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)c(Cl)c1 ZINC000409340998 1070847337 /nfs/dbraw/zinc/84/73/37/1070847337.db2.gz BVAUHSIGHKZPPH-OYKKKHCWSA-N 0 0 566.104 5.829 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409334356 1070840850 /nfs/dbraw/zinc/84/08/50/1070840850.db2.gz XGOUURKRMRYTLV-BUVRLJJBSA-N 0 0 520.632 5.436 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409340053 1070846061 /nfs/dbraw/zinc/84/60/61/1070846061.db2.gz PQQQVNBOHZTXII-FYJGNVAPSA-N 0 0 559.894 6.228 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409341248 1070847722 /nfs/dbraw/zinc/84/77/22/1070847722.db2.gz ANRRMEZPKSFAQJ-UUYOSTAYSA-N 0 0 625.912 7.467 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1Br ZINC000409341357 1070847938 /nfs/dbraw/zinc/84/79/38/1070847938.db2.gz BMEFDPBTPWMAIW-YVLHZVERSA-N 0 0 511.850 5.356 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S ZINC000409341220 1070848130 /nfs/dbraw/zinc/84/81/30/1070848130.db2.gz AHVQUWMTLRWXCW-GRSHGNNSSA-N 0 0 608.350 7.187 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409342815 1070850917 /nfs/dbraw/zinc/85/09/17/1070850917.db2.gz CQCALDZTBUNCEX-GRSHGNNSSA-N 0 0 578.853 6.612 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)c1 ZINC000409343197 1070851292 /nfs/dbraw/zinc/85/12/92/1070851292.db2.gz CXGMINNVCXCMTD-UCQKPKSFSA-N 0 0 534.684 5.918 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)cc1 ZINC000409335717 1070855534 /nfs/dbraw/zinc/85/55/34/1070855534.db2.gz YYQSKDQMLGGQQI-ZVHZXABRSA-N 0 0 549.630 5.589 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334749 1070854034 /nfs/dbraw/zinc/85/40/34/1070854034.db2.gz VZUAZNWEFHQXNR-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409335000 1070854506 /nfs/dbraw/zinc/85/45/06/1070854506.db2.gz YGXCRJQZEQCFCG-ZVHZXABRSA-N 0 0 635.976 7.945 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409335922 1070856621 /nfs/dbraw/zinc/85/66/21/1070856621.db2.gz ZRLREGJKGUQQJB-HMAPJEAMSA-N 0 0 529.064 7.204 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346721 1070864030 /nfs/dbraw/zinc/86/40/30/1070864030.db2.gz LDXQMKOXSFQWJK-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409338033 1070860213 /nfs/dbraw/zinc/86/02/13/1070860213.db2.gz BUDALLAQARODOJ-KSEXSDGBSA-N 0 0 593.941 7.469 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409338499 1070860431 /nfs/dbraw/zinc/86/04/31/1070860431.db2.gz KYRMQLHXMNCHLE-YDZHTSKRSA-N 0 0 538.481 6.543 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OC ZINC000409338397 1070860774 /nfs/dbraw/zinc/86/07/74/1070860774.db2.gz JFUOGSJJPNSYBD-MOSHPQCFSA-N 0 0 500.439 6.415 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000409338601 1070861507 /nfs/dbraw/zinc/86/15/07/1070861507.db2.gz MVBDLAXDYOMTPX-YBFXNURJSA-N 0 0 534.840 6.555 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)SC2=S)cc1 ZINC000409339239 1070861681 /nfs/dbraw/zinc/86/16/81/1070861681.db2.gz GALGYZFOFMVVKN-PCLIKHOPSA-N 0 0 526.079 7.122 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409338934 1070861740 /nfs/dbraw/zinc/86/17/40/1070861740.db2.gz CGYQIFMXGJPRSY-JJFYIABZSA-N 0 0 565.341 7.736 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339159 1070861814 /nfs/dbraw/zinc/86/18/14/1070861814.db2.gz FITSEIHGHHEVAV-UUYOSTAYSA-N 0 0 639.471 7.760 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409339458 1070862695 /nfs/dbraw/zinc/86/26/95/1070862695.db2.gz IJQKQUYUABLZPG-JJFYIABZSA-N 0 0 657.808 8.388 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339368 1070862829 /nfs/dbraw/zinc/86/28/29/1070862829.db2.gz UOPPGKQJHWOWHZ-MYYYXRDXSA-N 0 0 520.632 6.595 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409346630 1070863105 /nfs/dbraw/zinc/86/31/05/1070863105.db2.gz KVTFCGDLQNLQLJ-DHRITJCHSA-N 0 0 519.688 6.531 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409346672 1070863267 /nfs/dbraw/zinc/86/32/67/1070863267.db2.gz OCUOJAHPZKWQRA-BUVRLJJBSA-N 0 0 601.531 7.292 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409348273 1070865059 /nfs/dbraw/zinc/86/50/59/1070865059.db2.gz RUUJRSOJKCVJEB-OEAKJJBVSA-N 0 0 572.571 7.555 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409348368 1070865809 /nfs/dbraw/zinc/86/58/09/1070865809.db2.gz SIESZVFMWQIBED-ZMOGYAJESA-N 0 0 632.989 6.600 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1 ZINC000409349393 1070866731 /nfs/dbraw/zinc/86/67/31/1070866731.db2.gz PPFMJXMAWIQGNL-HYARGMPZSA-N 0 0 698.389 6.947 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409349473 1070867049 /nfs/dbraw/zinc/86/70/49/1070867049.db2.gz QJXIQSSIBGUKJN-RPPGKUMJSA-N 0 0 608.012 8.486 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409350430 1070868150 /nfs/dbraw/zinc/86/81/50/1070868150.db2.gz RLPMGRVJONNPCU-YDZHTSKRSA-N 0 0 576.574 7.219 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)SC2=S)cc1 ZINC000409350432 1070868739 /nfs/dbraw/zinc/86/87/39/1070868739.db2.gz YFCXJXFFEMBVGF-MXAYSNPKSA-N 0 0 578.712 5.372 40 10 KKCBRN O=C1C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408892292 1070873446 /nfs/dbraw/zinc/87/34/46/1070873446.db2.gz YLJZFYHFJSRWDF-UHFFFAOYSA-N 0 0 542.566 7.141 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408891778 1070875709 /nfs/dbraw/zinc/87/57/09/1070875709.db2.gz VGOVPIMMXVXXPQ-UHFFFAOYSA-N 0 0 573.432 7.164 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409346019 1070877548 /nfs/dbraw/zinc/87/75/48/1070877548.db2.gz MJKSMMCZPHUFEU-YDZHTSKRSA-N 0 0 552.590 5.776 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408891041 1070880116 /nfs/dbraw/zinc/88/01/16/1070880116.db2.gz KFTZOLOPEMHRND-UHFFFAOYSA-N 0 0 581.466 7.228 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408890675 1070882488 /nfs/dbraw/zinc/88/24/88/1070882488.db2.gz XMKFUVDVSLVHOJ-UHFFFAOYSA-N 0 0 688.587 7.634 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409376029 1070889593 /nfs/dbraw/zinc/88/95/93/1070889593.db2.gz SKSRMZDKEKQYLT-UNOMPAQXSA-N 0 0 535.485 5.395 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1C ZINC000409358638 1070886191 /nfs/dbraw/zinc/88/61/91/1070886191.db2.gz MUOOCFDTSSHUAK-YDZHTSKRSA-N 0 0 509.052 6.380 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408889757 1070887508 /nfs/dbraw/zinc/88/75/08/1070887508.db2.gz GXAGGYVUQAJEKX-UHFFFAOYSA-N 0 0 571.402 6.751 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(I)cc1 ZINC000408905350 1070891302 /nfs/dbraw/zinc/89/13/02/1070891302.db2.gz XQLRAJRFCJEFIU-LPYMAVHISA-N 0 0 617.281 6.838 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S ZINC000409368050 1070891609 /nfs/dbraw/zinc/89/16/09/1070891609.db2.gz MCRFGBQCXHVYOG-AFUMVMLFSA-N 0 0 614.963 8.317 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408904892 1070899956 /nfs/dbraw/zinc/89/99/56/1070899956.db2.gz QBBRFAZFKAWSGU-LPYMAVHISA-N 0 0 507.949 5.701 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408906766 1070894658 /nfs/dbraw/zinc/89/46/58/1070894658.db2.gz KDAKIRLVWWJIRU-STBIYBPSSA-N 0 0 671.986 7.508 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408904355 1070900794 /nfs/dbraw/zinc/90/07/94/1070900794.db2.gz IFMFPEPXTILWDT-LPYMAVHISA-N 0 0 599.400 5.653 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903850 1070901332 /nfs/dbraw/zinc/90/13/32/1070901332.db2.gz AIJMHZCYNBSWDD-CIAFOILYSA-N 0 0 585.373 5.263 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408903581 1070902712 /nfs/dbraw/zinc/90/27/12/1070902712.db2.gz ZZYLWPVPWHUZKK-ZDLGFXPLSA-N 0 0 600.325 5.715 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408903422 1070903516 /nfs/dbraw/zinc/90/35/16/1070903516.db2.gz XOSZIRLTSUDKLG-LPYMAVHISA-N 0 0 572.830 6.728 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000408903460 1070903527 /nfs/dbraw/zinc/90/35/27/1070903527.db2.gz YFFYDWKSVPVTSD-FYJGNVAPSA-N 0 0 561.320 7.196 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902792 1070909894 /nfs/dbraw/zinc/90/98/94/1070909894.db2.gz RLOJIQXVEYMFRE-DEDYPNTBSA-N 0 0 608.320 7.039 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408903117 1070907419 /nfs/dbraw/zinc/90/74/19/1070907419.db2.gz URXRZQHEAHSGEE-BUVRLJJBSA-N 0 0 528.615 6.595 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902924 1070907926 /nfs/dbraw/zinc/90/79/26/1070907926.db2.gz SFPSPEFAMXCIOT-UDWIEESQSA-N 0 0 700.317 6.789 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408902724 1070908565 /nfs/dbraw/zinc/90/85/65/1070908565.db2.gz QMKOBEXZBHCLNG-XNTDXEJSSA-N 0 0 593.249 5.700 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408902959 1070908601 /nfs/dbraw/zinc/90/86/01/1070908601.db2.gz SROKSKHZYABXOR-ZVHZXABRSA-N 0 0 531.837 7.641 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C)cc1 ZINC000408902475 1070912036 /nfs/dbraw/zinc/91/20/36/1070912036.db2.gz OFTBEMRKUGPOKJ-OEAKJJBVSA-N 0 0 552.412 6.383 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408902310 1070912547 /nfs/dbraw/zinc/91/25/47/1070912547.db2.gz MXJYTRQECGFMLN-OFWBYEQRSA-N 0 0 558.479 8.380 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902212 1070913981 /nfs/dbraw/zinc/91/39/81/1070913981.db2.gz LZIPENCNSPBBPE-UDWIEESQSA-N 0 0 687.216 7.801 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408901820 1070915468 /nfs/dbraw/zinc/91/54/68/1070915468.db2.gz HKZSJWRZLKLAMR-CIAFOILYSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408901907 1070916462 /nfs/dbraw/zinc/91/64/62/1070916462.db2.gz ISGNSUZCSYORGJ-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408901392 1070920519 /nfs/dbraw/zinc/92/05/19/1070920519.db2.gz DWHZFLFZXWQDNF-RGVLZGJSSA-N 0 0 516.222 7.141 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408901230 1070921803 /nfs/dbraw/zinc/92/18/03/1070921803.db2.gz CHAJDZCIYQXEFD-RGVLZGJSSA-N 0 0 746.124 6.886 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901224 1070921835 /nfs/dbraw/zinc/92/18/35/1070921835.db2.gz CFZHCWUWFQLXDQ-UDWIEESQSA-N 0 0 579.310 7.336 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408901243 1070921953 /nfs/dbraw/zinc/92/19/53/1070921953.db2.gz CNDJSPNXPUMOTC-PXLXIMEGSA-N 0 0 573.477 6.675 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408900609 1070932355 /nfs/dbraw/zinc/93/23/55/1070932355.db2.gz WTNOWXADTUEGRC-UHFFFAOYSA-N 0 0 662.334 7.383 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408898856 1070953613 /nfs/dbraw/zinc/95/36/13/1070953613.db2.gz XYLJIGZMSOLWKA-UHFFFAOYSA-N 0 0 571.004 7.040 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408907415 1070991104 /nfs/dbraw/zinc/99/11/04/1070991104.db2.gz NIVZLXSACNSFAK-TWKHWXDSSA-N 0 0 617.123 6.591 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408916318 1071001255 /nfs/dbraw/zinc/00/12/55/1071001255.db2.gz BTLODUAGDOTBHS-FJEPWZHXSA-N 0 0 567.711 7.707 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408924982 1071080371 /nfs/dbraw/zinc/08/03/71/1071080371.db2.gz RZDSQGPFWDPWNO-PRLWALMFSA-N 0 0 602.738 5.224 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408924350 1071082607 /nfs/dbraw/zinc/08/26/07/1071082607.db2.gz HXWFKPGZBXYHDB-MFCBUNOESA-N 0 0 671.626 5.961 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 ZINC000408917685 1071145254 /nfs/dbraw/zinc/14/52/54/1071145254.db2.gz ZWQZWPYHCPMSBB-PCLIKHOPSA-N 0 0 504.612 6.085 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408929865 1071165534 /nfs/dbraw/zinc/16/55/34/1071165534.db2.gz PBBGGJHWUFZZFF-MIXAMLLLSA-N 0 0 535.669 7.053 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000208697869 1071213066 /nfs/dbraw/zinc/21/30/66/1071213066.db2.gz UAJWPPBWJXJDRL-FBHDLOMBSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408935339 1071224709 /nfs/dbraw/zinc/22/47/09/1071224709.db2.gz CYIXXTAFFXAOEC-CIAFOILYSA-N 0 0 584.264 6.241 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408934454 1071234923 /nfs/dbraw/zinc/23/49/23/1071234923.db2.gz AUCIHGWUODHFDI-KEBDBYFISA-N 0 0 621.258 6.628 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408946189 1071271178 /nfs/dbraw/zinc/27/11/78/1071271178.db2.gz YLDYNKDPBQBPNG-PCLIKHOPSA-N 0 0 525.402 6.623 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000408946150 1071272888 /nfs/dbraw/zinc/27/28/88/1071272888.db2.gz YFSONVKFJDFQGM-CIAFOILYSA-N 0 0 523.358 5.618 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408942358 1071301173 /nfs/dbraw/zinc/30/11/73/1071301173.db2.gz QLKHSCOHRMEMEA-CIAFOILYSA-N 0 0 550.365 5.387 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1OCC ZINC000408940454 1071317142 /nfs/dbraw/zinc/31/71/42/1071317142.db2.gz UOPCQWGMZQCIMM-ILLSWNIOSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939103 1071326056 /nfs/dbraw/zinc/32/60/56/1071326056.db2.gz MVBQZFNRKWIAAN-NPRXSWCKSA-N 0 0 696.269 7.225 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408938164 1071332631 /nfs/dbraw/zinc/33/26/31/1071332631.db2.gz KWUSEYRTTKTSAF-AHDXEZHLSA-N 0 0 708.708 7.318 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n21 ZINC000408937898 1071335277 /nfs/dbraw/zinc/33/52/77/1071335277.db2.gz AEFYHTWQRIMRDX-YRSDHNRQSA-N 0 0 638.559 5.505 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C)cc1 ZINC000408937679 1071338837 /nfs/dbraw/zinc/33/88/37/1071338837.db2.gz JJEKDFKMLOHUQA-LPYMAVHISA-N 0 0 566.395 5.629 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1 ZINC000408937453 1071339804 /nfs/dbraw/zinc/33/98/04/1071339804.db2.gz QRLMNYCBFLMDRD-OYKKKHCWSA-N 0 0 517.607 5.173 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n21 ZINC000408948630 1071364772 /nfs/dbraw/zinc/36/47/72/1071364772.db2.gz KUTVTVVBBWRSSS-DQARITGZSA-N 0 0 746.465 5.970 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000408954897 1071388808 /nfs/dbraw/zinc/38/88/08/1071388808.db2.gz ZZJYANDGPFXGLA-KFOJKGMOSA-N 0 0 657.623 6.987 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408954315 1071391965 /nfs/dbraw/zinc/39/19/65/1071391965.db2.gz SLKQJJFXADKJFP-RRAHZORUSA-N 0 0 520.658 5.908 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n21 ZINC000408958793 1071401711 /nfs/dbraw/zinc/40/17/11/1071401711.db2.gz WTHPTZFBFBMUKG-FFWTUWPMSA-N 0 0 696.667 7.032 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OCC)cc4)C3=O)c2C)c1 ZINC000408964560 1071417939 /nfs/dbraw/zinc/41/79/39/1071417939.db2.gz DPQYYCAFJWKWGM-XYGWBWBKSA-N 0 0 547.633 5.345 40 10 KKCBRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)cc3C2=O)s1 ZINC000408688255 1071422692 /nfs/dbraw/zinc/42/26/92/1071422692.db2.gz QHACDHOAFSIKID-UHFFFAOYSA-N 0 0 564.579 5.388 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408973839 1071447177 /nfs/dbraw/zinc/44/71/77/1071447177.db2.gz VSFASLNKKCKIJY-JYRVWZFOSA-N 0 0 504.100 5.569 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000408973355 1071447860 /nfs/dbraw/zinc/44/78/60/1071447860.db2.gz AOMAFRNGJBPOHU-UHFFFAOYSA-N 0 0 619.750 7.828 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408972658 1071449094 /nfs/dbraw/zinc/44/90/94/1071449094.db2.gz UEUWWNHULNPBBV-NVMNQCDNSA-N 0 0 600.218 7.692 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972277 1071450492 /nfs/dbraw/zinc/45/04/92/1071450492.db2.gz OTIQZOYHRYKWJM-UNOMPAQXSA-N 0 0 674.198 6.823 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1cccc2ccccc21 ZINC000408972095 1071451022 /nfs/dbraw/zinc/45/10/22/1071451022.db2.gz RUQKGRWBPMOYHC-UCQKPKSFSA-N 0 0 581.388 7.538 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 ZINC000408968809 1071461487 /nfs/dbraw/zinc/46/14/87/1071461487.db2.gz ZJNRYECLENYGQM-ONUIUJJFSA-N 0 0 531.678 6.465 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408976772 1071469571 /nfs/dbraw/zinc/46/95/71/1071469571.db2.gz GKFOQELMCGVVGH-FVUNBJOLSA-N 0 0 683.628 6.061 40 10 KKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCCC2)cc1 ZINC000408975089 1071478058 /nfs/dbraw/zinc/47/80/58/1071478058.db2.gz JYQIBKPGTYOILY-UHFFFAOYSA-N 0 0 528.637 7.101 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccccc5s4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408987239 1071481746 /nfs/dbraw/zinc/48/17/46/1071481746.db2.gz AXUNMEQWPZNDPN-VFHYMGCCSA-N 0 0 602.763 5.218 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1I ZINC000408987094 1071482518 /nfs/dbraw/zinc/48/25/18/1071482518.db2.gz VOXOXVFLGISSKY-SFQUDFHCSA-N 0 0 518.181 7.069 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727130 1071514480 /nfs/dbraw/zinc/51/44/80/1071514480.db2.gz QBHRWXUYGYFYQM-SVXDAGRPSA-N 0 0 577.706 5.368 40 10 KKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408983758 1071514498 /nfs/dbraw/zinc/51/44/98/1071514498.db2.gz CGXIMBNKHLRAKE-RELWKKBWSA-N 0 0 511.002 7.871 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726870 1071511386 /nfs/dbraw/zinc/51/13/86/1071511386.db2.gz WBJYBSLOUCTVOO-RDRPBHBLSA-N 0 0 637.519 8.626 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408726704 1071515636 /nfs/dbraw/zinc/51/56/36/1071515636.db2.gz PBSAEHCFDHRQEN-MIUGUJGPSA-N 0 0 680.612 5.185 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408726696 1071515900 /nfs/dbraw/zinc/51/59/00/1071515900.db2.gz PBSAEHCFDHRQEN-KEPJHFNWSA-N 0 0 680.612 5.185 40 10 KKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000408726485 1071516304 /nfs/dbraw/zinc/51/63/04/1071516304.db2.gz SCXUVOLDFKFUOQ-UHFFFAOYSA-N 0 0 514.647 6.239 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408983531 1071517672 /nfs/dbraw/zinc/51/76/72/1071517672.db2.gz LDHVOGYLSCPSSU-URFJJRPFSA-N 0 0 594.136 5.997 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(C)(C)C)cc4)C3=O)o2)cc1 ZINC000408983364 1071518892 /nfs/dbraw/zinc/51/88/92/1071518892.db2.gz BIEAOWWFSUGMOW-LKUDQCMESA-N 0 0 503.598 7.502 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408724661 1071524568 /nfs/dbraw/zinc/52/45/68/1071524568.db2.gz DHZDMLBIZWOPND-RDRPBHBLSA-N 0 0 637.519 8.626 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1 ZINC000408724647 1071524612 /nfs/dbraw/zinc/52/46/12/1071524612.db2.gz DBVDFJUMUHHGPB-MWAVMZGNSA-N 0 0 568.629 7.319 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408725287 1071521812 /nfs/dbraw/zinc/52/18/12/1071521812.db2.gz KIRDLPXDWMUCPA-NHDPSOOVSA-N 0 0 561.424 6.535 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408981545 1071533025 /nfs/dbraw/zinc/53/30/25/1071533025.db2.gz IEFGYDRHISQWJY-VCLSCOGJSA-N 0 0 759.666 6.273 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc6ccccc65)c4C)c(=O)n32)c(OC)c1 ZINC000408979829 1071542187 /nfs/dbraw/zinc/54/21/87/1071542187.db2.gz SOMAGAWYCXYFQI-ZXXDOZTISA-N 0 0 654.792 6.452 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408979391 1071544941 /nfs/dbraw/zinc/54/49/41/1071544941.db2.gz CICMDOVDKALKAX-DWLKXISJSA-N 0 0 617.771 5.969 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3I)C2=O)cc1 ZINC000408718978 1071548128 /nfs/dbraw/zinc/54/81/28/1071548128.db2.gz CXPFZHLAJCNNMM-QGOAFFKASA-N 0 0 522.433 5.179 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408979555 1071543582 /nfs/dbraw/zinc/54/35/82/1071543582.db2.gz RMRLAHSITAEWRF-NHJYWPGGSA-N 0 0 680.830 6.966 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000408727308 1071549564 /nfs/dbraw/zinc/54/95/64/1071549564.db2.gz ZTEGALYOHXSMGL-NHFJDJAPSA-N 0 0 534.612 6.919 40 10 KKCBRN Clc1ccc(COc2ccc([C@@H]3Nc4ccc(I)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736623 1071555577 /nfs/dbraw/zinc/55/55/77/1071555577.db2.gz XVBMRQXKYORHHG-SLSDLSHTSA-N 0 0 513.806 7.350 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994810 1071555897 /nfs/dbraw/zinc/55/58/97/1071555897.db2.gz JKTKRRUALQNLPW-ODRZPYGQSA-N 0 0 583.779 5.504 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408994614 1071557939 /nfs/dbraw/zinc/55/79/39/1071557939.db2.gz ZZFXFKAUFSQHPS-UHFFFAOYSA-N 0 0 740.888 8.823 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994655 1071558416 /nfs/dbraw/zinc/55/84/16/1071558416.db2.gz GZZBSUCORYGSAD-SWFBWHSRSA-N 0 0 540.710 6.961 40 10 KKCBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734654 1071564202 /nfs/dbraw/zinc/56/42/02/1071564202.db2.gz BLSCXEKWCFNFQH-FQEVSTJZSA-N 0 0 522.674 6.334 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408734460 1071566490 /nfs/dbraw/zinc/56/64/90/1071566490.db2.gz SBDQZWCLVJALTN-VTCRVZAOSA-N 0 0 634.596 5.215 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408992957 1071568289 /nfs/dbraw/zinc/56/82/89/1071568289.db2.gz VGEOOPXZUUKOKJ-UHFFFAOYSA-N 0 0 509.458 6.975 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408992779 1071569502 /nfs/dbraw/zinc/56/95/02/1071569502.db2.gz BVICZHAQRBGQOK-LMSRTUJASA-N 0 0 626.960 5.540 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992606 1071572154 /nfs/dbraw/zinc/57/21/54/1071572154.db2.gz SOWVBSUYIMVSCQ-UHFFFAOYSA-N 0 0 636.607 8.712 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N=C(SCc2cccc3ccccc32)N1 ZINC000408992252 1071573714 /nfs/dbraw/zinc/57/37/14/1071573714.db2.gz SOCRMLFWTHZKBF-GDLZYMKVSA-N 0 0 506.675 6.752 40 10 KKCBRN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4c(C)cc(C)cc4C)cc3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000408991595 1071578093 /nfs/dbraw/zinc/57/80/93/1071578093.db2.gz QQTLWLCLISJHAX-UHFFFAOYSA-N 0 0 592.717 6.956 40 10 KKCBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)N(c5cc(C)cc(C)c5)C(=S)N(c5cc(C)cc(C)c5)C4=O)o3)sc2c1 ZINC000408991032 1071583622 /nfs/dbraw/zinc/58/36/22/1071583622.db2.gz MJTYYPGAGOAOLC-UHFFFAOYSA-N 0 0 639.824 8.421 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C ZINC000408990899 1071584945 /nfs/dbraw/zinc/58/49/45/1071584945.db2.gz OVDFMBYSOOAZMY-UHFFFAOYSA-N 0 0 500.620 5.868 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408989681 1071596652 /nfs/dbraw/zinc/59/66/52/1071596652.db2.gz VBXAXKAULOIJDV-HNVAQCFTSA-N 0 0 729.640 6.265 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408727655 1071598993 /nfs/dbraw/zinc/59/89/93/1071598993.db2.gz VFCOBXDCXBQHNY-PSAPEEBNSA-N 0 0 612.151 6.021 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408988995 1071599421 /nfs/dbraw/zinc/59/94/21/1071599421.db2.gz GIVCGYWVNNFAER-UHFFFAOYSA-N 0 0 644.778 8.276 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)sc2=N1 ZINC000408989000 1071599636 /nfs/dbraw/zinc/59/96/36/1071599636.db2.gz GKFIELCJQGRQHM-DGBHDHARSA-N 0 0 794.940 7.094 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739282 1071604948 /nfs/dbraw/zinc/60/49/48/1071604948.db2.gz VCDZJJCMWOXCBE-FUFNRSNVSA-N 0 0 576.118 5.258 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 ZINC000408738387 1071609972 /nfs/dbraw/zinc/60/99/72/1071609972.db2.gz WHTCOHROVFLYCJ-PTGBLXJZSA-N 0 0 506.514 6.503 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4I)C3=O)o2)cc1 ZINC000408987984 1071608897 /nfs/dbraw/zinc/60/88/97/1071608897.db2.gz ZSEAGNLUBLIHCA-OQKWZONESA-N 0 0 573.386 6.809 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000408738407 1071610022 /nfs/dbraw/zinc/61/00/22/1071610022.db2.gz XAMQYYZSOCCQKT-SFQUDFHCSA-N 0 0 527.234 9.032 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(I)cc4C)C3=O)o2)cc1 ZINC000408987807 1071609190 /nfs/dbraw/zinc/60/91/90/1071609190.db2.gz YMAGBRMWXHHLLG-HAVVHWLPSA-N 0 0 587.413 7.118 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000408738031 1071611500 /nfs/dbraw/zinc/61/15/00/1071611500.db2.gz MCTVGBKUZCIFRZ-HMMYKYKNSA-N 0 0 515.396 7.683 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl ZINC000408738097 1071611549 /nfs/dbraw/zinc/61/15/49/1071611549.db2.gz NOYSXUZDHZHEPA-QGOAFFKASA-N 0 0 527.234 9.032 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737636 1071613613 /nfs/dbraw/zinc/61/36/13/1071613613.db2.gz FKBFLYJWUWPMJY-UTAOYMJKSA-N 0 0 591.733 5.758 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)cc2)cc1 ZINC000408737419 1071613616 /nfs/dbraw/zinc/61/36/16/1071613616.db2.gz PMMQVAUEEXCXBX-ZXVVBBHZSA-N 0 0 539.569 5.505 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1I ZINC000408737481 1071614101 /nfs/dbraw/zinc/61/41/01/1071614101.db2.gz BJLYTZGYRBKTDN-CAPFRKAQSA-N 0 0 594.246 7.785 40 10 KKCBRN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000408737474 1071614275 /nfs/dbraw/zinc/61/42/75/1071614275.db2.gz BDHPDXPTMSRZEI-CJLVFECKSA-N 0 0 500.425 8.848 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409005940 1071627041 /nfs/dbraw/zinc/62/70/41/1071627041.db2.gz GORZCUOMBWFDPH-UNDLXJOSSA-N 0 0 569.727 5.221 40 10 KKCBRN COc1ccc(C2=C/C(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C(=O)O2)cc1 ZINC000408740697 1071629036 /nfs/dbraw/zinc/62/90/36/1071629036.db2.gz DJBIGCVRSVWXLI-CXUHLZMHSA-N 0 0 569.320 6.056 40 10 KKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C ZINC000408757245 1071633764 /nfs/dbraw/zinc/63/37/64/1071633764.db2.gz LJRHJJIVOVKZGC-QRVIBDJDSA-N 0 0 510.379 5.517 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409002920 1071639245 /nfs/dbraw/zinc/63/92/45/1071639245.db2.gz XICIPQDFPNMDGC-JAYSWQADSA-N 0 0 600.062 5.878 40 10 KKCBRN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409001448 1071645033 /nfs/dbraw/zinc/64/50/33/1071645033.db2.gz VVURSCNAHLBJES-OREGWCPLSA-N 0 0 508.640 5.947 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001820 1071642928 /nfs/dbraw/zinc/64/29/28/1071642928.db2.gz WUNGCFKXKJMTNF-FUYPNTDJSA-N 0 0 654.207 7.259 40 10 KKCBRN O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409001776 1071643937 /nfs/dbraw/zinc/64/39/37/1071643937.db2.gz KHRHFYUNMZVJGP-NSDMMRPQSA-N 0 0 584.676 8.157 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4Br)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408999630 1071652908 /nfs/dbraw/zinc/65/29/08/1071652908.db2.gz VFINJWIYQPYTQB-KMBIYUNPSA-N 0 0 610.961 5.622 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408999649 1071652933 /nfs/dbraw/zinc/65/29/33/1071652933.db2.gz RSJAZOPNMLEUJD-VQMDLGMUSA-N 0 0 665.815 7.019 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408998511 1071659047 /nfs/dbraw/zinc/65/90/47/1071659047.db2.gz UYZZWLHHUMUIGU-CLCZQPDDSA-N 0 0 525.095 6.462 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408997669 1071663367 /nfs/dbraw/zinc/66/33/67/1071663367.db2.gz NXOMWCPJCGLRCD-ONUIUJJFSA-N 0 0 591.458 5.743 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409016827 1071665986 /nfs/dbraw/zinc/66/59/86/1071665986.db2.gz JQSUYKYFTALYNY-RDRPBHBLSA-N 0 0 534.616 5.513 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409016375 1071668314 /nfs/dbraw/zinc/66/83/14/1071668314.db2.gz RUMKMCNVBZXUCN-AJBULDERSA-N 0 0 596.705 6.165 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409015968 1071670373 /nfs/dbraw/zinc/67/03/73/1071670373.db2.gz SZBCTUQQIPNTHY-ULJHMMPZSA-N 0 0 505.014 5.671 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409015822 1071670874 /nfs/dbraw/zinc/67/08/74/1071670874.db2.gz BPHKBBPANPYYTD-OFWBYEQRSA-N 0 0 549.627 5.698 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409015568 1071670882 /nfs/dbraw/zinc/67/08/82/1071670882.db2.gz SNKMGOLCMNSCGM-YZSQISJMSA-N 0 0 647.577 5.995 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409015591 1071671349 /nfs/dbraw/zinc/67/13/49/1071671349.db2.gz RPBJFFKRYQLALG-YZSQISJMSA-N 0 0 549.096 5.441 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409015456 1071671873 /nfs/dbraw/zinc/67/18/73/1071671873.db2.gz REJYGLKULYXBBP-UZWMFBFFSA-N 0 0 661.176 6.908 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409014753 1071674874 /nfs/dbraw/zinc/67/48/74/1071674874.db2.gz JBDIBWPVLXQOOV-FATJQOLTSA-N 0 0 622.194 6.001 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409013783 1071679324 /nfs/dbraw/zinc/67/93/24/1071679324.db2.gz VKOYMPGVWQPVNG-YDZHTSKRSA-N 0 0 647.309 5.871 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409013614 1071679804 /nfs/dbraw/zinc/67/98/04/1071679804.db2.gz MZFPSSJNEJBQCD-NHDPSOOVSA-N 0 0 560.275 7.041 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409011950 1071685709 /nfs/dbraw/zinc/68/57/09/1071685709.db2.gz IDEISPDFJLKZNX-NDZAJKAJSA-N 0 0 661.574 6.619 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012960 1071681955 /nfs/dbraw/zinc/68/19/55/1071681955.db2.gz SAXRNTMNEGKHRZ-PCLIKHOPSA-N 0 0 557.075 5.805 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012780 1071682500 /nfs/dbraw/zinc/68/25/00/1071682500.db2.gz KOJSNUBLLIDMSM-SXFMOBQTSA-N 0 0 659.588 6.138 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012621 1071682504 /nfs/dbraw/zinc/68/25/04/1071682504.db2.gz KUBTWGINCPVQAM-CIAFOILYSA-N 0 0 507.999 5.040 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)cc1 ZINC000409010902 1071689568 /nfs/dbraw/zinc/68/95/68/1071689568.db2.gz DONHAKVDQQFFSM-XHLNEMQHSA-N 0 0 571.747 5.325 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010965 1071689777 /nfs/dbraw/zinc/68/97/77/1071689777.db2.gz GMUPPWURWWRYQS-ATVHPVEESA-N 0 0 505.810 6.470 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409008883 1071697692 /nfs/dbraw/zinc/69/76/92/1071697692.db2.gz OUWVHYIIHLQDSW-STBIYBPSSA-N 0 0 700.040 8.125 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409010062 1071693159 /nfs/dbraw/zinc/69/31/59/1071693159.db2.gz DDMXMYXMPJUDQV-OVVQPSECSA-N 0 0 528.678 5.096 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409009880 1071693681 /nfs/dbraw/zinc/69/36/81/1071693681.db2.gz CHEKVUXEDCPESS-RLWVUDJFSA-N 0 0 659.588 6.138 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408760935 1071694707 /nfs/dbraw/zinc/69/47/07/1071694707.db2.gz BCSMDFYHPYIFKI-RGVLZGJSSA-N 0 0 506.614 7.244 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409008753 1071698272 /nfs/dbraw/zinc/69/82/72/1071698272.db2.gz FKISQGYLTLHVRT-JCMHNJIXSA-N 0 0 573.409 7.143 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409008339 1071700465 /nfs/dbraw/zinc/70/04/65/1071700465.db2.gz WELQGTVENCCXEI-XHLNEMQHSA-N 0 0 534.681 7.384 40 10 KKCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408758819 1071704054 /nfs/dbraw/zinc/70/40/54/1071704054.db2.gz RVNCIMJLGQPUNA-FYJGNVAPSA-N 0 0 512.201 6.055 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408759250 1071701913 /nfs/dbraw/zinc/70/19/13/1071701913.db2.gz ANLLUIQJDDLNJM-QZVQSRICSA-N 0 0 745.639 5.965 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409007663 1071702143 /nfs/dbraw/zinc/70/21/43/1071702143.db2.gz QCUPZNWYLWRWOK-UHFFFAOYSA-N 0 0 547.567 5.296 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409024091 1071713127 /nfs/dbraw/zinc/71/31/27/1071713127.db2.gz UXDLEJXBOIPEKE-STBIYBPSSA-N 0 0 569.061 6.166 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409023977 1071713703 /nfs/dbraw/zinc/71/37/03/1071713703.db2.gz OMDNVIPBHLPWBT-UHFFFAOYSA-N 0 0 533.099 7.301 40 10 KKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408766402 1071714387 /nfs/dbraw/zinc/71/43/87/1071714387.db2.gz PZWVCAQQMNIGGG-DEDYPNTBSA-N 0 0 527.172 5.954 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408767212 1071714956 /nfs/dbraw/zinc/71/49/56/1071714956.db2.gz DYXWBVYIRREBPI-QQMBNGEASA-N 0 0 566.101 6.519 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023329 1071715922 /nfs/dbraw/zinc/71/59/22/1071715922.db2.gz JWSWPCIXRMTOBS-LXKZMGPHSA-N 0 0 658.824 6.500 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409021859 1071721052 /nfs/dbraw/zinc/72/10/52/1071721052.db2.gz CJEKKXJBUNYFHG-IMUCPKNRSA-N 0 0 633.214 5.714 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409022961 1071717147 /nfs/dbraw/zinc/71/71/47/1071717147.db2.gz ADEOSIQOAVAUBS-ADUBFANXSA-N 0 0 661.780 5.447 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408765888 1071721561 /nfs/dbraw/zinc/72/15/61/1071721561.db2.gz BQXKKYTZRIGOMP-VIYYDIFJSA-N 0 0 762.464 5.590 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409022595 1071718072 /nfs/dbraw/zinc/71/80/72/1071718072.db2.gz BYJPPZJFBWQCAU-VZVSMJQGSA-N 0 0 631.798 6.439 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409022411 1071718556 /nfs/dbraw/zinc/71/85/56/1071718556.db2.gz NDMAXHYZOQCKOG-OIUASMPBSA-N 0 0 706.659 5.852 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)c1 ZINC000409022686 1071718561 /nfs/dbraw/zinc/71/85/61/1071718561.db2.gz PHTZMFVCRIJOIR-LMBBUSAASA-N 0 0 617.775 5.356 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409021457 1071723168 /nfs/dbraw/zinc/72/31/68/1071723168.db2.gz IVVBNHJWMHKUKN-NULZLWRNSA-N 0 0 649.611 5.043 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409020479 1071726971 /nfs/dbraw/zinc/72/69/71/1071726971.db2.gz PSTQRVXGNNSHGX-VUTHCHCSSA-N 0 0 609.144 6.329 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409021042 1071724703 /nfs/dbraw/zinc/72/47/03/1071724703.db2.gz XEJPJZWRCVNIOC-OGLMXYFKSA-N 0 0 730.464 7.926 40 10 KKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409019562 1071729513 /nfs/dbraw/zinc/72/95/13/1071729513.db2.gz ZRQOPZMVXOJKAG-PCLIKHOPSA-N 0 0 514.050 6.215 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409019068 1071730479 /nfs/dbraw/zinc/73/04/79/1071730479.db2.gz XUZWFDWYBJGGJZ-HUCUOGIVSA-N 0 0 531.472 5.589 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409017427 1071736448 /nfs/dbraw/zinc/73/64/48/1071736448.db2.gz ZVMORGHKNKCHRS-UHFFFAOYSA-N 0 0 607.688 5.860 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037200 1071736971 /nfs/dbraw/zinc/73/69/71/1071736971.db2.gz SMXGORQRHANTCW-DILIVHCESA-N 0 0 748.298 5.827 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408763392 1071733264 /nfs/dbraw/zinc/73/32/64/1071733264.db2.gz NRIPMPYDIXGYRQ-CEUNXORHSA-N 0 0 519.670 6.768 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409018282 1071733497 /nfs/dbraw/zinc/73/34/97/1071733497.db2.gz TVFRVZZJVKXGLY-BKUYFWCQSA-N 0 0 524.400 6.458 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Cl)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409018152 1071734018 /nfs/dbraw/zinc/73/40/18/1071734018.db2.gz SQPQQXKYIXNVRH-BXMULHQWSA-N 0 0 648.181 5.351 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000409035908 1071747525 /nfs/dbraw/zinc/74/75/25/1071747525.db2.gz UQASFDCBCWDWLM-MKMNVTDBSA-N 0 0 681.168 7.273 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)cc1 ZINC000409036108 1071746613 /nfs/dbraw/zinc/74/66/13/1071746613.db2.gz KOHOYCCCENPJKP-HRIDGTDGSA-N 0 0 590.145 5.646 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408776448 1071749487 /nfs/dbraw/zinc/74/94/87/1071749487.db2.gz OFBVWCUVTLUJTR-JWGURIENSA-N 0 0 509.433 6.316 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000409035179 1071753447 /nfs/dbraw/zinc/75/34/47/1071753447.db2.gz OWXBBGOLIUNWEO-SPLCHINYSA-N 0 0 618.199 6.265 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000409035176 1071753503 /nfs/dbraw/zinc/75/35/03/1071753503.db2.gz OWXBBGOLIUNWEO-CCORILLZSA-N 0 0 618.199 6.265 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033271 1071771470 /nfs/dbraw/zinc/77/14/70/1071771470.db2.gz KNWAWTFPWKOGQR-ZXXDOZTISA-N 0 0 738.888 7.061 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(F)c1 ZINC000409033002 1071774737 /nfs/dbraw/zinc/77/47/37/1071774737.db2.gz KPKLGNCYWKBNDM-CXUHLZMHSA-N 0 0 506.402 5.915 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032827 1071776066 /nfs/dbraw/zinc/77/60/66/1071776066.db2.gz DOLDQSUHEHGLEQ-FVUNBJOLSA-N 0 0 627.763 5.204 40 10 KKCBRN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000408771795 1071778419 /nfs/dbraw/zinc/77/84/19/1071778419.db2.gz KGCOBLNTYOPKII-UHFFFAOYSA-N 0 0 595.746 6.569 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409032049 1071782602 /nfs/dbraw/zinc/78/26/02/1071782602.db2.gz IOYJHPFHBKPKCY-WOJGMQOQSA-N 0 0 529.896 7.153 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000408769731 1071790644 /nfs/dbraw/zinc/79/06/44/1071790644.db2.gz OFUDLTXOZPHUCT-PKYOQBLNSA-N 0 0 586.555 5.633 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC1=S ZINC000409031664 1071786750 /nfs/dbraw/zinc/78/67/50/1071786750.db2.gz JZDVJTPHNNLWER-NVMNQCDNSA-N 0 0 578.324 7.034 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409031423 1071789550 /nfs/dbraw/zinc/78/95/50/1071789550.db2.gz AOXVWJNUWRESNL-MHWRWJLKSA-N 0 0 503.383 5.675 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)c1 ZINC000408769895 1071789755 /nfs/dbraw/zinc/78/97/55/1071789755.db2.gz QICCQAMKMVLGAJ-HVDVVURSSA-N 0 0 619.703 5.198 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000409030936 1071792966 /nfs/dbraw/zinc/79/29/66/1071792966.db2.gz FTLJVWRLFDINKN-AUWJEWJLSA-N 0 0 601.753 7.192 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409030774 1071794127 /nfs/dbraw/zinc/79/41/27/1071794127.db2.gz HUFJHWVKQHLYDU-GIJQJNRQSA-N 0 0 713.238 8.288 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030853 1071795202 /nfs/dbraw/zinc/79/52/02/1071795202.db2.gz FSQMIGVZYPMSTR-FVUNBJOLSA-N 0 0 613.780 5.618 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccccc3)sc2=N1 ZINC000409030582 1071795242 /nfs/dbraw/zinc/79/52/42/1071795242.db2.gz GIRHODQRAZAJAE-CXABMRDKSA-N 0 0 581.738 5.224 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030856 1071795300 /nfs/dbraw/zinc/79/53/00/1071795300.db2.gz FSQMIGVZYPMSTR-KFOJKGMOSA-N 0 0 613.780 5.618 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408768659 1071797615 /nfs/dbraw/zinc/79/76/15/1071797615.db2.gz ZVDSTGHTJXXJAR-UHFFFAOYSA-N 0 0 522.611 6.055 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000408768606 1071799775 /nfs/dbraw/zinc/79/97/75/1071799775.db2.gz HSXZHHZYUFNZAQ-MHBHXDGASA-N 0 0 509.433 6.835 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408768297 1071802063 /nfs/dbraw/zinc/80/20/63/1071802063.db2.gz VUNVLVWQIUFNEA-CCPXZDFDSA-N 0 0 510.590 5.446 40 10 KKCBRN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)ccc1Cl ZINC000408767662 1071807057 /nfs/dbraw/zinc/80/70/57/1071807057.db2.gz ZODPKPOOUPPRGE-LDADJPATSA-N 0 0 510.373 6.269 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(I)c(C)c2)cc1 ZINC000408767571 1071808508 /nfs/dbraw/zinc/80/85/08/1071808508.db2.gz MPUHVTVSIAYUOS-XSFVSMFZSA-N 0 0 522.342 6.288 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000409037899 1071818193 /nfs/dbraw/zinc/81/81/93/1071818193.db2.gz UPNRXEZWVVAJNJ-YIXHJXPBSA-N 0 0 571.285 6.803 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409038210 1071815755 /nfs/dbraw/zinc/81/57/55/1071815755.db2.gz DYUSZCMNYNXYNC-UKWGHVSLSA-N 0 0 526.905 6.547 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409038068 1071816875 /nfs/dbraw/zinc/81/68/75/1071816875.db2.gz DLMAAICQVRKAKS-VIZOYTHASA-N 0 0 612.305 6.447 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409037630 1071821208 /nfs/dbraw/zinc/82/12/08/1071821208.db2.gz UAGISEWXTRLZCT-SRZZPIQSSA-N 0 0 507.943 7.183 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000408781018 1071821391 /nfs/dbraw/zinc/82/13/91/1071821391.db2.gz PXTBPGZUDFGZDG-ITYLOYPMSA-N 0 0 540.616 5.597 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000409046260 1071834119 /nfs/dbraw/zinc/83/41/19/1071834119.db2.gz JPZWUWIOTWQYIT-UDWIEESQSA-N 0 0 501.391 5.876 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409046063 1071834510 /nfs/dbraw/zinc/83/45/10/1071834510.db2.gz IMAWCORXXWFCGG-CIAFOILYSA-N 0 0 560.673 7.250 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409044921 1071843961 /nfs/dbraw/zinc/84/39/61/1071843961.db2.gz FGTBQRNMTKOKLO-CIAFOILYSA-N 0 0 560.673 7.250 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409044879 1071846519 /nfs/dbraw/zinc/84/65/19/1071846519.db2.gz DXBMNDSZLHZDMW-YDZHTSKRSA-N 0 0 533.367 6.098 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408787017 1071847008 /nfs/dbraw/zinc/84/70/08/1071847008.db2.gz PQMRIRMLHGRZKH-KQWNVCNZSA-N 0 0 595.877 6.387 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409044419 1071850404 /nfs/dbraw/zinc/85/04/04/1071850404.db2.gz CSYUZNQOYYVZHH-UHFFFAOYSA-N 0 0 584.264 6.584 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408786450 1071851834 /nfs/dbraw/zinc/85/18/34/1071851834.db2.gz QAEDQYWKHDRQLU-VZVSMJQGSA-N 0 0 615.799 6.775 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCc2ccccc2)c2ccccc12 ZINC000409043998 1071855176 /nfs/dbraw/zinc/85/51/76/1071855176.db2.gz GHHHATPNQFDNSR-DEDYPNTBSA-N 0 0 524.514 7.634 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409043795 1071856347 /nfs/dbraw/zinc/85/63/47/1071856347.db2.gz ZQBQOHFBRDMXRB-GIDUJCDVSA-N 0 0 605.774 8.126 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)SC1=S ZINC000409042918 1071864306 /nfs/dbraw/zinc/86/43/06/1071864306.db2.gz LNURJDDPJANKQJ-GRSHGNNSSA-N 0 0 507.431 5.794 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409042413 1071869111 /nfs/dbraw/zinc/86/91/11/1071869111.db2.gz KRIPOTVICYJZAO-MTJSOVHGSA-N 0 0 620.405 8.482 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409042478 1071869769 /nfs/dbraw/zinc/86/97/69/1071869769.db2.gz LAMONFKGZGSXKN-MKMNVTDBSA-N 0 0 572.273 6.982 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409042401 1071872226 /nfs/dbraw/zinc/87/22/26/1071872226.db2.gz KQBWZXMCLMLDOV-RQZCQDPDSA-N 0 0 595.362 7.237 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409041535 1071878286 /nfs/dbraw/zinc/87/82/86/1071878286.db2.gz WBVFVMJXSRWXOB-LICLKQGHSA-N 0 0 547.436 6.074 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409041577 1071878880 /nfs/dbraw/zinc/87/88/80/1071878880.db2.gz AQLDCOIRZXHYTR-YNMQQHPQSA-N 0 0 669.598 5.248 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409041519 1071880569 /nfs/dbraw/zinc/88/05/69/1071880569.db2.gz ALRNWORAWAXEGH-GIJQJNRQSA-N 0 0 760.238 8.130 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409041277 1071881257 /nfs/dbraw/zinc/88/12/57/1071881257.db2.gz UKTQIBLIEOLJLM-JAIQZWGSSA-N 0 0 585.383 7.047 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409041067 1071885068 /nfs/dbraw/zinc/88/50/68/1071885068.db2.gz ZAGNRKGAYROEND-VIZOYTHASA-N 0 0 585.298 6.677 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409040351 1071891828 /nfs/dbraw/zinc/89/18/28/1071891828.db2.gz HTZUZBDZURHVDQ-RGVLZGJSSA-N 0 0 586.944 7.973 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409040835 1071886335 /nfs/dbraw/zinc/88/63/35/1071886335.db2.gz UUKBXAOJCIUOGY-OVCLIPMQSA-N 0 0 629.279 6.280 40 10 KKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1OCC ZINC000408790248 1071893948 /nfs/dbraw/zinc/89/39/48/1071893948.db2.gz OHLXGOFWYFFZGK-ZHZULCJRSA-N 0 0 500.389 5.514 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000409039651 1071895798 /nfs/dbraw/zinc/89/57/98/1071895798.db2.gz RRUVYAQDNACHGY-MLPAPPSSSA-N 0 0 616.724 7.091 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409039395 1071899080 /nfs/dbraw/zinc/89/90/80/1071899080.db2.gz WLFUASXZEVIVLS-UKWGHVSLSA-N 0 0 510.450 6.033 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039541 1071898165 /nfs/dbraw/zinc/89/81/65/1071898165.db2.gz GYLLEKOAMAIRFH-WUIQWSFBSA-N 0 0 804.749 7.042 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409038997 1071903611 /nfs/dbraw/zinc/90/36/11/1071903611.db2.gz WJROHJQMHMVLLY-VIZOYTHASA-N 0 0 612.305 6.447 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408805983 1071905094 /nfs/dbraw/zinc/90/50/94/1071905094.db2.gz DJGVUZMGAAADFZ-SVPNNHLASA-N 0 0 549.558 7.911 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039203 1071899796 /nfs/dbraw/zinc/89/97/96/1071899796.db2.gz QWRQMVJKOPPMRQ-IVRZUQNJSA-N 0 0 698.625 5.463 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408802155 1071912405 /nfs/dbraw/zinc/91/24/05/1071912405.db2.gz XFCIHAUXZUUFBW-GTTXDWGESA-N 0 0 505.107 7.802 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409054449 1071916784 /nfs/dbraw/zinc/91/67/84/1071916784.db2.gz GFWRKIIDZLABSD-HMAPJEAMSA-N 0 0 515.404 6.111 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)SC2=S)cc1 ZINC000409056184 1071923108 /nfs/dbraw/zinc/92/31/08/1071923108.db2.gz KYZIKTDZVCZKKB-UUYOSTAYSA-N 0 0 717.819 7.838 40 10 KKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409055697 1071925098 /nfs/dbraw/zinc/92/50/98/1071925098.db2.gz PGGKOSVWJOIAFJ-HAHDFKILSA-N 0 0 513.465 6.964 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409054091 1071934743 /nfs/dbraw/zinc/93/47/43/1071934743.db2.gz MMEYUNPZFALBGH-IWIPYMOSSA-N 0 0 554.531 7.137 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(Br)cc3)SC2=S)cc1 ZINC000409055205 1071929488 /nfs/dbraw/zinc/92/94/88/1071929488.db2.gz XJUVREJKNRZFQQ-UCQKPKSFSA-N 0 0 510.478 6.738 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409054785 1071932709 /nfs/dbraw/zinc/93/27/09/1071932709.db2.gz BPADXMIGSOVPPF-MOSHPQCFSA-N 0 0 511.405 6.287 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409053488 1071940801 /nfs/dbraw/zinc/94/08/01/1071940801.db2.gz KGUYMAMGTCUCFA-FBHDLOMBSA-N 0 0 515.824 6.932 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409052597 1071945869 /nfs/dbraw/zinc/94/58/69/1071945869.db2.gz LARFUWRJASLKSY-QRVIBDJDSA-N 0 0 574.949 7.400 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409051246 1071952426 /nfs/dbraw/zinc/95/24/26/1071952426.db2.gz JQWJETNPEHQKNP-OYKKKHCWSA-N 0 0 635.976 7.632 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409050050 1071960653 /nfs/dbraw/zinc/96/06/53/1071960653.db2.gz SGGSERDLVNRCIG-BPOMCQNBSA-N 0 0 710.694 7.424 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409050847 1071956194 /nfs/dbraw/zinc/95/61/94/1071956194.db2.gz BDSMMCYEUDJJFW-UUYOSTAYSA-N 0 0 518.462 7.421 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1 ZINC000409049273 1071963981 /nfs/dbraw/zinc/96/39/81/1071963981.db2.gz YRADOVQUQDMNCF-SXGWCWSVSA-N 0 0 567.308 6.538 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccccc1 ZINC000409049311 1071964423 /nfs/dbraw/zinc/96/44/23/1071964423.db2.gz QGGSWTAIZIWOMK-OVCLIPMQSA-N 0 0 567.308 6.538 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000409049351 1071964981 /nfs/dbraw/zinc/96/49/81/1071964981.db2.gz ZELMJIKGFGTCGK-PSAPEEBNSA-N 0 0 583.754 5.610 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049107 1071968272 /nfs/dbraw/zinc/96/82/72/1071968272.db2.gz PYKUFAKXKQBQNI-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000409059251 1071982318 /nfs/dbraw/zinc/98/23/18/1071982318.db2.gz VSXVCZZEDZXUAY-JAIQZWGSSA-N 0 0 545.850 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409058988 1071984056 /nfs/dbraw/zinc/98/40/56/1071984056.db2.gz QDBDRGMUWLWKIQ-UCQKPKSFSA-N 0 0 505.014 6.250 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409058396 1071987569 /nfs/dbraw/zinc/98/75/69/1071987569.db2.gz OHYSSOYUPOQAAJ-JLPGSUDCSA-N 0 0 518.997 5.801 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409058384 1071987713 /nfs/dbraw/zinc/98/77/13/1071987713.db2.gz XMPZTIRGLLGVJG-MOSHPQCFSA-N 0 0 544.957 6.652 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409058033 1071988607 /nfs/dbraw/zinc/98/86/07/1071988607.db2.gz RSVFVQZVBZSKKE-MOSHPQCFSA-N 0 0 511.405 6.287 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409057401 1071994140 /nfs/dbraw/zinc/99/41/40/1071994140.db2.gz PKXHYWRGKXDLHU-QFEZKATASA-N 0 0 519.439 6.351 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409063011 1071996590 /nfs/dbraw/zinc/99/65/90/1071996590.db2.gz FLIWUSAVTRCFFY-UHFFFAOYSA-N 0 0 556.485 6.605 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409066288 1072003667 /nfs/dbraw/zinc/00/36/67/1072003667.db2.gz KXLIYQUXCIHOMY-MAKCPWPFSA-N 0 0 525.026 5.924 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409065423 1072010122 /nfs/dbraw/zinc/01/01/22/1072010122.db2.gz SBRXMYKWNZHBAV-HZHHUVPKSA-N 0 0 721.661 6.137 40 10 KKCBRN O=C1C(=Cc2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409063754 1072019006 /nfs/dbraw/zinc/01/90/06/1072019006.db2.gz MRELWYOOVMEUCN-UHFFFAOYSA-N 0 0 514.900 5.645 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409063570 1072021282 /nfs/dbraw/zinc/02/12/82/1072021282.db2.gz CNXUHXSXWTZQET-YDZHTSKRSA-N 0 0 510.808 7.056 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409062620 1072023292 /nfs/dbraw/zinc/02/32/92/1072023292.db2.gz XVCIOZWZCNBGHW-OAAUXFBMSA-N 0 0 595.790 5.648 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409062427 1072023768 /nfs/dbraw/zinc/02/37/68/1072023768.db2.gz URWIOOWLHCMTJB-ZEZCTPEWSA-N 0 0 595.790 5.566 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409062632 1072023958 /nfs/dbraw/zinc/02/39/58/1072023958.db2.gz YBHKSDBATGLJEV-KUSDHMTMSA-N 0 0 658.618 5.615 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409062452 1072024476 /nfs/dbraw/zinc/02/44/76/1072024476.db2.gz VDXKKVFCAUBIQZ-ZJOBTTRRSA-N 0 0 595.790 5.566 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409061890 1072026795 /nfs/dbraw/zinc/02/67/95/1072026795.db2.gz JQBUPKVVLFJWGO-STGXNMSHSA-N 0 0 584.141 5.579 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409061031 1072031382 /nfs/dbraw/zinc/03/13/82/1072031382.db2.gz BNWMGORCBQSVEQ-WNFQYIGGSA-N 0 0 550.269 7.585 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409060839 1072031905 /nfs/dbraw/zinc/03/19/05/1072031905.db2.gz YOCYCRMZVAMLET-IWIPYMOSSA-N 0 0 500.595 5.605 40 10 KKCBRN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076953 1072045327 /nfs/dbraw/zinc/04/53/27/1072045327.db2.gz COLUIOMLRQXSCS-XHPQRKPJSA-N 0 0 514.990 5.942 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076656 1072049019 /nfs/dbraw/zinc/04/90/19/1072049019.db2.gz BKBBUIDUPGNQLI-KQWNVCNZSA-N 0 0 638.337 6.814 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409076436 1072049802 /nfs/dbraw/zinc/04/98/02/1072049802.db2.gz AIFOECFAPXGIDC-ULJHMMPZSA-N 0 0 638.337 6.814 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409076465 1072050353 /nfs/dbraw/zinc/05/03/53/1072050353.db2.gz BGULKCWYGSVLNT-DEYGKZMTSA-N 0 0 540.504 6.562 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409076361 1072052261 /nfs/dbraw/zinc/05/22/61/1072052261.db2.gz AYIUGVIIEHNJRQ-IWEBCOIVSA-N 0 0 554.915 6.070 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409075886 1072056346 /nfs/dbraw/zinc/05/63/46/1072056346.db2.gz VASSOWVAHSLCNH-UHFFFAOYSA-N 0 0 527.070 7.240 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409069971 1072099736 /nfs/dbraw/zinc/09/97/36/1072099736.db2.gz BTXXZROAJKMPJM-JFLMPSFJSA-N 0 0 515.972 6.563 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409068208 1072113602 /nfs/dbraw/zinc/11/36/02/1072113602.db2.gz KRQIXOGNXNTGHT-BGYDKNSZSA-N 0 0 576.766 5.988 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409068212 1072113643 /nfs/dbraw/zinc/11/36/43/1072113643.db2.gz KRQIXOGNXNTGHT-ZCWOBWSPSA-N 0 0 576.766 5.988 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079722 1072131317 /nfs/dbraw/zinc/13/13/17/1072131317.db2.gz LQARJKZZEIVDKQ-UQQQWYQISA-N 0 0 543.848 7.516 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079416 1072134451 /nfs/dbraw/zinc/13/44/51/1072134451.db2.gz FTNJUKBYKDIVFI-DZGUVLCISA-N 0 0 587.330 6.310 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409079432 1072135024 /nfs/dbraw/zinc/13/50/24/1072135024.db2.gz BDIGQILYFPCTNQ-UQQQWYQISA-N 0 0 652.364 7.122 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409079272 1072136710 /nfs/dbraw/zinc/13/67/10/1072136710.db2.gz ALFSQCPZPKPQGH-SJJOQSKNSA-N 0 0 650.387 6.956 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1cccc2ccccc21 ZINC000409078853 1072141312 /nfs/dbraw/zinc/14/13/12/1072141312.db2.gz DJKIPXINMKPYTF-CEUNXORHSA-N 0 0 636.489 7.867 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087232 1072157859 /nfs/dbraw/zinc/15/78/59/1072157859.db2.gz XRPHFPDDALQNAJ-VEILYXNESA-N 0 0 638.359 8.778 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409086944 1072159642 /nfs/dbraw/zinc/15/96/42/1072159642.db2.gz HZGLSNMFVZIOFE-JFLMPSFJSA-N 0 0 653.982 8.479 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000409085145 1072182646 /nfs/dbraw/zinc/18/26/46/1072182646.db2.gz WPJHBHZRGCDKOZ-UFKHLRDRSA-N 0 0 602.760 5.907 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3cc(OC)c(OCC)cc3Br)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000409084926 1072183329 /nfs/dbraw/zinc/18/33/29/1072183329.db2.gz NLOWPHVTOWUDST-ZMTYCLHQSA-N 0 0 722.658 5.552 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409084436 1072191204 /nfs/dbraw/zinc/19/12/04/1072191204.db2.gz VJOXRAVZJUAMMO-LELXDKESSA-N 0 0 554.915 6.070 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083917 1072195085 /nfs/dbraw/zinc/19/50/85/1072195085.db2.gz WLRFJBGUHSEPOC-ZTJHJZSNSA-N 0 0 685.040 6.029 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409083792 1072196482 /nfs/dbraw/zinc/19/64/82/1072196482.db2.gz UNVRKJUXGCWPSV-BWAHOGKJSA-N 0 0 603.494 6.450 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409083640 1072198739 /nfs/dbraw/zinc/19/87/39/1072198739.db2.gz VSTKHOJSVRLVSN-PLRJNAJWSA-N 0 0 510.571 5.297 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409083356 1072201614 /nfs/dbraw/zinc/20/16/14/1072201614.db2.gz OCAWTWZGZWOPNO-PADWCVLASA-N 0 0 589.360 6.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409083416 1072202509 /nfs/dbraw/zinc/20/25/09/1072202509.db2.gz OHZBLSSBYWIJGQ-CFKHXJFWSA-N 0 0 570.530 6.570 40 10 KKCBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000409083150 1072202625 /nfs/dbraw/zinc/20/26/25/1072202625.db2.gz KPDQVKNHXRWBGY-GFIJVFARSA-N 0 0 504.471 5.717 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000409082388 1072213929 /nfs/dbraw/zinc/21/39/29/1072213929.db2.gz LVWFLGHUCGLKCM-XYGWBWBKSA-N 0 0 665.325 7.476 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409082035 1072216580 /nfs/dbraw/zinc/21/65/80/1072216580.db2.gz RHEIFPSEYXINAC-ONUIUJJFSA-N 0 0 571.446 7.400 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081921 1072218395 /nfs/dbraw/zinc/21/83/95/1072218395.db2.gz OTFCGBPONYZYFW-ZXVVBBHZSA-N 0 0 509.403 6.863 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409081960 1072218777 /nfs/dbraw/zinc/21/87/77/1072218777.db2.gz RANANZLRXJJHKJ-PPEIKGMUSA-N 0 0 505.661 6.198 40 10 KKCBRN O=C1C(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409081290 1072224500 /nfs/dbraw/zinc/22/45/00/1072224500.db2.gz NLHBDAOOINSWOD-UHFFFAOYSA-N 0 0 573.483 6.989 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1 ZINC000409096564 1072234300 /nfs/dbraw/zinc/23/43/00/1072234300.db2.gz FZNKMGMXRSZKJI-LPYMAVHISA-N 0 0 544.460 6.475 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 ZINC000409096287 1072234375 /nfs/dbraw/zinc/23/43/75/1072234375.db2.gz JKJQBTIDXYCFGE-WGOQTCKBSA-N 0 0 526.618 5.716 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095244 1072242083 /nfs/dbraw/zinc/24/20/83/1072242083.db2.gz HCUSOTRRFVHMTP-MIUGUJGPSA-N 0 0 699.058 6.078 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1 ZINC000409095107 1072242898 /nfs/dbraw/zinc/24/28/98/1072242898.db2.gz HFDYVSWYHFRFBZ-ZVHZXABRSA-N 0 0 568.493 6.239 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409326854 1072244080 /nfs/dbraw/zinc/24/40/80/1072244080.db2.gz FKAAGJYNPMFIDC-LSHDLFTRSA-N 0 0 560.878 6.816 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409326916 1072244083 /nfs/dbraw/zinc/24/40/83/1072244083.db2.gz GMHXQIPZOZKHAM-YDZHTSKRSA-N 0 0 532.578 5.733 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409326558 1072246350 /nfs/dbraw/zinc/24/63/50/1072246350.db2.gz CDBYYSYANRBOJY-JVWAILMASA-N 0 0 622.631 8.708 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccc(C)cc1 ZINC000409094243 1072246862 /nfs/dbraw/zinc/24/68/62/1072246862.db2.gz CPRMIUHZBIPBHT-ZCTHSVRISA-N 0 0 591.733 8.104 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409326390 1072247141 /nfs/dbraw/zinc/24/71/41/1072247141.db2.gz BEZCCMYMGTULJW-UYRXBGFRSA-N 0 0 508.459 6.051 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409093152 1072256540 /nfs/dbraw/zinc/25/65/40/1072256540.db2.gz YKYKTFRTOOSCMM-SELCLYCASA-N 0 0 643.596 6.597 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409093058 1072258369 /nfs/dbraw/zinc/25/83/69/1072258369.db2.gz ZAMDOVSRFQYJGM-XYGWBWBKSA-N 0 0 573.874 7.525 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409092590 1072261752 /nfs/dbraw/zinc/26/17/52/1072261752.db2.gz XETVDPNEFBPFSJ-UHFFFAOYSA-N 0 0 549.539 5.766 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091243 1072273229 /nfs/dbraw/zinc/27/32/29/1072273229.db2.gz SAEJHCYLWJYWNZ-OCDQFKQQSA-N 0 0 693.664 5.442 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091105 1072274793 /nfs/dbraw/zinc/27/47/93/1072274793.db2.gz PGQRNKQSEUBGRV-DXTKDLSISA-N 0 0 719.485 6.682 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409091676 1072269190 /nfs/dbraw/zinc/26/91/90/1072269190.db2.gz SYROXCVYNLHURV-WGOQTCKBSA-N 0 0 770.430 7.840 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409091538 1072270555 /nfs/dbraw/zinc/27/05/55/1072270555.db2.gz RCULOVOKKBXFFV-CVHFWEDTSA-N 0 0 548.524 6.115 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409091572 1072270930 /nfs/dbraw/zinc/27/09/30/1072270930.db2.gz RLPSNVXNZWKWOD-DZGUVLCISA-N 0 0 614.337 6.079 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409090976 1072276595 /nfs/dbraw/zinc/27/65/95/1072276595.db2.gz ODDDEXCDQOHIHH-TURZUDJPSA-N 0 0 583.109 7.293 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2Br)cc1 ZINC000409087982 1072302015 /nfs/dbraw/zinc/30/20/15/1072302015.db2.gz DICNVFLPCHBORK-UMUMUWHJSA-N 0 0 504.471 5.717 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102212 1072309714 /nfs/dbraw/zinc/30/97/14/1072309714.db2.gz DDIQCWLHZVFSEO-PMYQURGISA-N 0 0 648.785 5.402 40 10 KKCBRN Cc1cccc(Cn2cc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)c3ccccc32)c1 ZINC000409101659 1072313907 /nfs/dbraw/zinc/31/39/07/1072313907.db2.gz QGDQOBMPONFXAR-UXHLAJHPSA-N 0 0 577.706 7.795 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409099568 1072325323 /nfs/dbraw/zinc/32/53/23/1072325323.db2.gz OLZOUSAIXNYRBH-UVHMKAGCSA-N 0 0 718.453 9.141 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1 ZINC000409100257 1072320628 /nfs/dbraw/zinc/32/06/28/1072320628.db2.gz TZHKFLUAMRPZRD-RDRPBHBLSA-N 0 0 563.679 7.487 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409098040 1072333723 /nfs/dbraw/zinc/33/37/23/1072333723.db2.gz IESKXEIMJOVDJD-FQIOEHTJSA-N 0 0 559.471 6.578 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409098602 1072331373 /nfs/dbraw/zinc/33/13/73/1072331373.db2.gz PJFLJVPFUXMNQY-GOQPZEPVSA-N 0 0 604.776 5.673 40 10 KKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409099276 1072326931 /nfs/dbraw/zinc/32/69/31/1072326931.db2.gz PVGLPHDBSFYJCF-FSJBWODESA-N 0 0 501.435 7.036 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409097917 1072334544 /nfs/dbraw/zinc/33/45/44/1072334544.db2.gz MVTJXSIYAZIWFI-SSDVNMTOSA-N 0 0 541.833 5.350 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)cc1 ZINC000409097737 1072335089 /nfs/dbraw/zinc/33/50/89/1072335089.db2.gz JGABWMFUXDDIMD-FSJBWODESA-N 0 0 588.911 6.584 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409335950 1072335430 /nfs/dbraw/zinc/33/54/30/1072335430.db2.gz ZXQVTOIKNZYQKJ-UFFVCSGVSA-N 0 0 643.781 7.998 40 10 KKCBRN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409335602 1072337216 /nfs/dbraw/zinc/33/72/16/1072337216.db2.gz XSDSAPWWKNNMNQ-LPYMAVHISA-N 0 0 510.865 7.815 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409335669 1072337628 /nfs/dbraw/zinc/33/76/28/1072337628.db2.gz YGUYBUQRYHLMRY-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409335715 1072338128 /nfs/dbraw/zinc/33/81/28/1072338128.db2.gz YYQBRUIBYMYSPS-YVLHZVERSA-N 0 0 587.311 5.568 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409106978 1072340076 /nfs/dbraw/zinc/34/00/76/1072340076.db2.gz NULXRELZBASUNY-UVHMKAGCSA-N 0 0 765.453 8.983 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409335179 1072340383 /nfs/dbraw/zinc/34/03/83/1072340383.db2.gz ZFCVOYNZDJSPNO-DJKKODMXSA-N 0 0 552.436 6.528 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409334867 1072342636 /nfs/dbraw/zinc/34/26/36/1072342636.db2.gz XZVPKHWRTWENJS-JAIQZWGSSA-N 0 0 641.930 6.193 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000409335215 1072340772 /nfs/dbraw/zinc/34/07/72/1072340772.db2.gz ZMLFHAXFZCIVDU-PCLIKHOPSA-N 0 0 526.079 7.122 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409335011 1072341342 /nfs/dbraw/zinc/34/13/42/1072341342.db2.gz YIJYFLSRAZQSND-WYMPLXKRSA-N 0 0 509.483 7.711 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409335057 1072341673 /nfs/dbraw/zinc/34/16/73/1072341673.db2.gz YNZZBWYIFOCGTE-YBFXNURJSA-N 0 0 517.382 6.032 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409334970 1072343121 /nfs/dbraw/zinc/34/31/21/1072343121.db2.gz XEFFYFJXNGYIIZ-FBHDLOMBSA-N 0 0 615.785 8.403 40 10 KKCBRN CCCOc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cccc1OC ZINC000409106376 1072343556 /nfs/dbraw/zinc/34/35/56/1072343556.db2.gz LSXMMCRMEHJYPW-XQNSMLJCSA-N 0 0 522.623 6.281 40 10 KKCBRN COc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2)cc1 ZINC000409105958 1072346176 /nfs/dbraw/zinc/34/61/76/1072346176.db2.gz LUDGPUVIVDOVHM-OGLMXYFKSA-N 0 0 570.667 7.071 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409105825 1072347002 /nfs/dbraw/zinc/34/70/02/1072347002.db2.gz OZRPNJKIHMLWTF-XQNWCSQWSA-N 0 0 685.031 5.769 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409334340 1072347041 /nfs/dbraw/zinc/34/70/41/1072347041.db2.gz XEUVNLHHXYUPGX-SSDVNMTOSA-N 0 0 629.812 8.793 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409334379 1072347636 /nfs/dbraw/zinc/34/76/36/1072347636.db2.gz XKLFAKOMZWIXDV-QQXSKIMKSA-N 0 0 518.059 7.487 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409334176 1072348055 /nfs/dbraw/zinc/34/80/55/1072348055.db2.gz VVEBLGYQMKEAFO-MTJSOVHGSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409334253 1072348922 /nfs/dbraw/zinc/34/89/22/1072348922.db2.gz VJYYMMDLJQAHTE-MTJSOVHGSA-N 0 0 628.340 7.591 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409333781 1072351498 /nfs/dbraw/zinc/35/14/98/1072351498.db2.gz VWCLTPVQFRZJFC-WPWMEQJKSA-N 0 0 575.111 7.017 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409333559 1072351975 /nfs/dbraw/zinc/35/19/75/1072351975.db2.gz SSSDWVSCJLDHOH-OEAKJJBVSA-N 0 0 644.525 5.890 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409333556 1072352060 /nfs/dbraw/zinc/35/20/60/1072352060.db2.gz UKPCSCNRBQFHNK-FSGOGVSDSA-N 0 0 533.674 7.986 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409104898 1072352035 /nfs/dbraw/zinc/35/20/35/1072352035.db2.gz KUENJCOTMOUNJO-AFUMVMLFSA-N 0 0 522.598 5.800 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000409333572 1072352596 /nfs/dbraw/zinc/35/25/96/1072352596.db2.gz UQMFOJLQOHNPIR-JLPGSUDCSA-N 0 0 526.079 7.122 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409333256 1072354675 /nfs/dbraw/zinc/35/46/75/1072354675.db2.gz INGWJRKMWWIQGK-PKYOQBLNSA-N 0 0 600.697 5.121 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409104169 1072355560 /nfs/dbraw/zinc/35/55/60/1072355560.db2.gz GCOUHPAFFQRRDF-CCVNUDIWSA-N 0 0 639.557 8.378 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409332995 1072356842 /nfs/dbraw/zinc/35/68/42/1072356842.db2.gz UGJGBORBCXRUMA-NHDPSOOVSA-N 0 0 584.866 8.106 40 10 KKCBRN CCOC(=O)Cn1c(C)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409104039 1072356908 /nfs/dbraw/zinc/35/69/08/1072356908.db2.gz CWKILKSGBXWGAQ-WGOQTCKBSA-N 0 0 573.671 6.310 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)SC2=S)c1 ZINC000409104143 1072357506 /nfs/dbraw/zinc/35/75/06/1072357506.db2.gz FCCFIQZNLQRRPK-MZJWZYIUSA-N 0 0 688.427 9.132 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)c1 ZINC000409332789 1072359353 /nfs/dbraw/zinc/35/93/53/1072359353.db2.gz RFTDZVOVZBEKGU-SSDVNMTOSA-N 0 0 518.512 7.700 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409332323 1072362811 /nfs/dbraw/zinc/36/28/11/1072362811.db2.gz QRTNXWSUFLGYRQ-IUXPMGMMSA-N 0 0 528.833 5.069 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)c(C)c1 ZINC000409330938 1072372723 /nfs/dbraw/zinc/37/27/23/1072372723.db2.gz NNYRZQNBYYZLOC-UUYOSTAYSA-N 0 0 522.026 7.237 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409331803 1072366137 /nfs/dbraw/zinc/36/61/37/1072366137.db2.gz NZWSBLRNESMCDJ-WGOQTCKBSA-N 0 0 562.510 7.596 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000409331862 1072366425 /nfs/dbraw/zinc/36/64/25/1072366425.db2.gz OYQDJGBRSPXJCF-UUYOSTAYSA-N 0 0 530.549 7.429 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409331600 1072368731 /nfs/dbraw/zinc/36/87/31/1072368731.db2.gz OOSCXHDRLCRFSG-JMIUGGIZSA-N 0 0 536.893 6.601 40 10 KKCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409331604 1072368764 /nfs/dbraw/zinc/36/87/64/1072368764.db2.gz OOTJWVUWSBAUCT-WSDLNYQXSA-N 0 0 529.470 6.725 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409331457 1072370461 /nfs/dbraw/zinc/37/04/61/1072370461.db2.gz NCOSQUYJNJOION-BUVRLJJBSA-N 0 0 566.104 6.027 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409331269 1072370787 /nfs/dbraw/zinc/37/07/87/1072370787.db2.gz NKBLWILPLBXHQI-LSHDLFTRSA-N 0 0 574.449 6.310 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409331284 1072371279 /nfs/dbraw/zinc/37/12/79/1072371279.db2.gz NRUDXLGTMVQMLT-WSDLNYQXSA-N 0 0 539.566 5.166 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409330773 1072374164 /nfs/dbraw/zinc/37/41/64/1072374164.db2.gz MOBSETQBXSUVOG-XKZIYDEJSA-N 0 0 621.937 6.766 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409330835 1072374674 /nfs/dbraw/zinc/37/46/74/1072374674.db2.gz NAKROMQZAYGLAM-JAIQZWGSSA-N 0 0 561.969 7.639 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409330645 1072375034 /nfs/dbraw/zinc/37/50/34/1072375034.db2.gz LHBZJVZZWMHYFR-MFKUBSTISA-N 0 0 563.657 6.150 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409329972 1072381501 /nfs/dbraw/zinc/38/15/01/1072381501.db2.gz JGMJASMKHLKMBR-NHDPSOOVSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330555 1072376821 /nfs/dbraw/zinc/37/68/21/1072376821.db2.gz KSZINAISWIKWOD-SRZZPIQSSA-N 0 0 586.991 5.504 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409330004 1072381568 /nfs/dbraw/zinc/38/15/68/1072381568.db2.gz IVAQRBNYNSRTMH-QRVIBDJDSA-N 0 0 609.394 8.448 40 10 KKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409329968 1072381578 /nfs/dbraw/zinc/38/15/78/1072381578.db2.gz ILPYVVGSSRTTEO-LICLKQGHSA-N 0 0 502.377 6.663 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409330344 1072377264 /nfs/dbraw/zinc/37/72/64/1072377264.db2.gz KWSXWQSAZJKZDV-LSHDLFTRSA-N 0 0 637.904 6.667 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409330241 1072378524 /nfs/dbraw/zinc/37/85/24/1072378524.db2.gz KIJJCIPFNHCSPC-XKZIYDEJSA-N 0 0 607.922 6.934 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409330213 1072378580 /nfs/dbraw/zinc/37/85/80/1072378580.db2.gz JUMXTGUQEOTBBK-HMAPJEAMSA-N 0 0 573.477 6.593 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409330218 1072378678 /nfs/dbraw/zinc/37/86/78/1072378678.db2.gz JWJJOBNGUQVSPA-YVNNLAQVSA-N 0 0 575.437 6.490 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409330257 1072379168 /nfs/dbraw/zinc/37/91/68/1072379168.db2.gz KKRYRSIGCQMYTR-QRVIBDJDSA-N 0 0 527.023 6.632 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409330047 1072379455 /nfs/dbraw/zinc/37/94/55/1072379455.db2.gz JVHUBGOLJQXAIG-FSJBWODESA-N 0 0 532.083 7.194 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409330055 1072379512 /nfs/dbraw/zinc/37/95/12/1072379512.db2.gz JGXFNNRFUAJFKJ-XYGWBWBKSA-N 0 0 534.659 5.513 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000409330108 1072379885 /nfs/dbraw/zinc/37/98/85/1072379885.db2.gz ITQFOPYWIWONBJ-JMIUGGIZSA-N 0 0 535.529 5.687 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409330130 1072379899 /nfs/dbraw/zinc/37/98/99/1072379899.db2.gz JGLRPKJQKLBZRB-ZVHZXABRSA-N 0 0 549.630 5.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409330106 1072379962 /nfs/dbraw/zinc/37/99/62/1072379962.db2.gz ITBPDRYFCLLKRQ-PKAZHMFMSA-N 0 0 542.638 7.132 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OC ZINC000409330104 1072379995 /nfs/dbraw/zinc/37/99/95/1072379995.db2.gz ISHDXPFEVXBHKC-CXUHLZMHSA-N 0 0 529.446 5.436 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000409330151 1072380507 /nfs/dbraw/zinc/38/05/07/1072380507.db2.gz JOZXFHGWDMXHNI-SFQUDFHCSA-N 0 0 517.454 5.623 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409329892 1072380581 /nfs/dbraw/zinc/38/05/81/1072380581.db2.gz INGUXCCCXIWEIU-MBTHVWNTSA-N 0 0 511.712 7.722 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329926 1072380992 /nfs/dbraw/zinc/38/09/92/1072380992.db2.gz IWIXACZTFLVWQE-BUVRLJJBSA-N 0 0 582.103 5.611 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409329812 1072382444 /nfs/dbraw/zinc/38/24/44/1072382444.db2.gz GVXWQSQITPECER-YVNNLAQVSA-N 0 0 624.365 7.188 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409329839 1072383082 /nfs/dbraw/zinc/38/30/82/1072383082.db2.gz HJCARFYHYXIHNM-VULFUBBASA-N 0 0 646.028 8.048 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409329686 1072383445 /nfs/dbraw/zinc/38/34/45/1072383445.db2.gz HMVGEFJBIMJEAI-YUMHPJSZSA-N 0 0 565.638 8.242 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409329688 1072383822 /nfs/dbraw/zinc/38/38/22/1072383822.db2.gz HNAJDRAADAOHJQ-LPYMAVHISA-N 0 0 589.920 6.236 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409329721 1072383981 /nfs/dbraw/zinc/38/39/81/1072383981.db2.gz HKZUTSXKHKCWBF-QFEZKATASA-N 0 0 597.118 6.518 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409329538 1072384767 /nfs/dbraw/zinc/38/47/67/1072384767.db2.gz FLMOQWWIYLIVFN-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329550 1072384856 /nfs/dbraw/zinc/38/48/56/1072384856.db2.gz FUKLLRROCALNEJ-BUVRLJJBSA-N 0 0 583.529 6.580 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409329562 1072385274 /nfs/dbraw/zinc/38/52/74/1072385274.db2.gz FYADUMGIXMZATI-DNTJNYDQSA-N 0 0 528.313 8.114 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409329308 1072385307 /nfs/dbraw/zinc/38/53/07/1072385307.db2.gz DKXSVRZGICCSIG-UUYOSTAYSA-N 0 0 595.968 6.663 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000409329166 1072386180 /nfs/dbraw/zinc/38/61/80/1072386180.db2.gz DGILMQNBCAJSGK-LICLKQGHSA-N 0 0 634.311 5.410 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409329285 1072387090 /nfs/dbraw/zinc/38/70/90/1072387090.db2.gz DFYAMCSAUJXPFC-OEAKJJBVSA-N 0 0 571.474 6.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409329052 1072387576 /nfs/dbraw/zinc/38/75/76/1072387576.db2.gz CMAHYXQDHWUPRX-LPYMAVHISA-N 0 0 527.624 5.155 40 10 KKCBRN CC(C)n1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21 ZINC000409112579 1072388865 /nfs/dbraw/zinc/38/88/65/1072388865.db2.gz FCAAWIKMCHECQT-MFKUBSTISA-N 0 0 515.635 7.019 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409328943 1072388901 /nfs/dbraw/zinc/38/89/01/1072388901.db2.gz AUXKTSJVOPCRNP-OEAKJJBVSA-N 0 0 568.076 5.221 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409328999 1072389358 /nfs/dbraw/zinc/38/93/58/1072389358.db2.gz BUJSDOXSYSKJKU-FRKPEAEDSA-N 0 0 537.273 6.648 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409328761 1072389885 /nfs/dbraw/zinc/38/98/85/1072389885.db2.gz AVGPGDPMDRDMQK-FSJBWODESA-N 0 0 522.026 6.478 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409328450 1072391701 /nfs/dbraw/zinc/39/17/01/1072391701.db2.gz VPTADHMQIGGSIY-FRKPEAEDSA-N 0 0 577.703 5.823 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409328541 1072392740 /nfs/dbraw/zinc/39/27/40/1072392740.db2.gz XHLAUXYNHXJXMJ-JAIQZWGSSA-N 0 0 613.755 7.989 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)c3ccccc32)cc1 ZINC000409328528 1072392756 /nfs/dbraw/zinc/39/27/56/1072392756.db2.gz XATJJCUGDKWAIZ-QFEZKATASA-N 0 0 532.090 6.506 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328394 1072394128 /nfs/dbraw/zinc/39/41/28/1072394128.db2.gz UHZZVSYCVLVSCJ-SSDVNMTOSA-N 0 0 591.892 7.004 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409328230 1072395038 /nfs/dbraw/zinc/39/50/38/1072395038.db2.gz QFJDJZHXQDIATO-YDZHTSKRSA-N 0 0 654.016 8.050 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409328206 1072395069 /nfs/dbraw/zinc/39/50/69/1072395069.db2.gz PZRAAQAUKQCFSX-PXNMLYILSA-N 0 0 519.269 6.569 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409328256 1072395199 /nfs/dbraw/zinc/39/51/99/1072395199.db2.gz QTBKZCOTVCCUAL-MYYYXRDXSA-N 0 0 532.090 6.506 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409327944 1072397304 /nfs/dbraw/zinc/39/73/04/1072397304.db2.gz NWJSPBMPIGYPFI-MSXFZWOLSA-N 0 0 583.131 6.017 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409327922 1072397448 /nfs/dbraw/zinc/39/74/48/1072397448.db2.gz NPKKCKOCRAAYFO-HMAPJEAMSA-N 0 0 528.080 6.871 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(C)n1-c1ccccc1 ZINC000409327959 1072397866 /nfs/dbraw/zinc/39/78/66/1072397866.db2.gz OFNYRVHMKZGASK-FYJGNVAPSA-N 0 0 510.413 5.532 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409327746 1072398345 /nfs/dbraw/zinc/39/83/45/1072398345.db2.gz MHQVOESHKLSDET-VROXFSQNSA-N 0 0 619.002 7.639 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409109058 1072402553 /nfs/dbraw/zinc/40/25/53/1072402553.db2.gz XFUTVGCHDVGBHO-RDRPBHBLSA-N 0 0 534.616 5.513 40 10 KKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409108488 1072407453 /nfs/dbraw/zinc/40/74/53/1072407453.db2.gz WGKSBZCIXDMXJX-PCLIKHOPSA-N 0 0 536.650 6.671 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 ZINC000409108111 1072408498 /nfs/dbraw/zinc/40/84/98/1072408498.db2.gz RUQJBPJCMCNAHW-MFKUBSTISA-N 0 0 503.624 5.785 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409346987 1072410788 /nfs/dbraw/zinc/41/07/88/1072410788.db2.gz PAQGBZGGNHJQPQ-OEAKJJBVSA-N 0 0 559.938 7.153 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409107835 1072411107 /nfs/dbraw/zinc/41/11/07/1072411107.db2.gz RFMQHAWMWVJBMD-GWRYVSOYSA-N 0 0 653.632 5.835 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)c1 ZINC000409346928 1072412412 /nfs/dbraw/zinc/41/24/12/1072412412.db2.gz OTBJNPWYXXSNDY-UUYOSTAYSA-N 0 0 546.508 7.295 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409346902 1072412434 /nfs/dbraw/zinc/41/24/34/1072412434.db2.gz OXSXMNKKJCSTCT-DHRITJCHSA-N 0 0 632.001 7.541 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)cc1 ZINC000409107640 1072413648 /nfs/dbraw/zinc/41/36/48/1072413648.db2.gz XCFWVTXHRFETQP-YDZHTSKRSA-N 0 0 601.466 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409346804 1072413840 /nfs/dbraw/zinc/41/38/40/1072413840.db2.gz OPMJWCKRTKSWMV-JCMHNJIXSA-N 0 0 579.525 6.803 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409346560 1072414480 /nfs/dbraw/zinc/41/44/80/1072414480.db2.gz KNBBXYCNSQFWBX-DJKKODMXSA-N 0 0 531.365 5.752 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346649 1072415056 /nfs/dbraw/zinc/41/50/56/1072415056.db2.gz NICTVZHKGFGKSI-FMCGGJTJSA-N 0 0 571.474 6.346 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC ZINC000409346448 1072415472 /nfs/dbraw/zinc/41/54/72/1072415472.db2.gz KQGOQVMLANFCKH-YVLHZVERSA-N 0 0 545.851 6.148 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409346393 1072415514 /nfs/dbraw/zinc/41/55/14/1072415514.db2.gz KERPIXXEYFHERT-ZVBGSRNCSA-N 0 0 623.319 7.064 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409346516 1072416019 /nfs/dbraw/zinc/41/60/19/1072416019.db2.gz KGFLDVGLNGEUOR-MTJSOVHGSA-N 0 0 609.336 7.344 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409346503 1072416090 /nfs/dbraw/zinc/41/60/90/1072416090.db2.gz LDMUBTFGDMEFPX-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409123059 1072417937 /nfs/dbraw/zinc/41/79/37/1072417937.db2.gz DLLMWHACMMGGIT-ICODJCHTSA-N 0 0 554.535 6.211 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409123039 1072417968 /nfs/dbraw/zinc/41/79/68/1072417968.db2.gz DITDGBNIVQNPHP-KOOOGDDHSA-N 0 0 562.555 5.185 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C ZINC000409346185 1072418051 /nfs/dbraw/zinc/41/80/51/1072418051.db2.gz NNNKILMFTRUISP-KSEXSDGBSA-N 0 0 622.393 7.796 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1 ZINC000409346203 1072418565 /nfs/dbraw/zinc/41/85/65/1072418565.db2.gz NPQQBFFPWVLWTC-MTJSOVHGSA-N 0 0 523.998 6.629 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccccc1F ZINC000409345864 1072420754 /nfs/dbraw/zinc/42/07/54/1072420754.db2.gz MLNBGABTWIHUEG-KSEXSDGBSA-N 0 0 513.446 7.541 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1 ZINC000409345709 1072421657 /nfs/dbraw/zinc/42/16/57/1072421657.db2.gz JATOYNQLPNPAFE-MTJSOVHGSA-N 0 0 669.347 7.189 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Br)c(Cl)c3)c(OC)c2)SC1=S ZINC000409345664 1072421722 /nfs/dbraw/zinc/42/17/22/1072421722.db2.gz JYNACOZYTXNTBN-FSJBWODESA-N 0 0 619.946 6.543 40 10 KKCBRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)c1 ZINC000409345728 1072422301 /nfs/dbraw/zinc/42/23/01/1072422301.db2.gz NGZYHCHJTKKKDI-NTMZXPBYSA-N 0 0 513.627 5.761 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409345356 1072423655 /nfs/dbraw/zinc/42/36/55/1072423655.db2.gz LPHWFWYDXMVFDR-LSFURLLWSA-N 0 0 516.427 6.707 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1C1CCCCC1 ZINC000409345408 1072424282 /nfs/dbraw/zinc/42/42/82/1072424282.db2.gz LUDAIGOGPKAFSP-NDENLUEZSA-N 0 0 500.020 6.749 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409345221 1072425206 /nfs/dbraw/zinc/42/52/06/1072425206.db2.gz KJKJDBQKURARAN-AUEPDCJTSA-N 0 0 592.342 8.304 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000409344824 1072428855 /nfs/dbraw/zinc/42/88/55/1072428855.db2.gz HJYZBJNQMGXEND-YBEGLDIGSA-N 0 0 515.369 5.243 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409344878 1072429532 /nfs/dbraw/zinc/42/95/32/1072429532.db2.gz HWTMUKWEUXMTJS-FBHDLOMBSA-N 0 0 662.785 8.245 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409344664 1072430091 /nfs/dbraw/zinc/43/00/91/1072430091.db2.gz GFTCZYVOUUTNJM-FSJBWODESA-N 0 0 557.897 7.650 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344665 1072430170 /nfs/dbraw/zinc/43/01/70/1072430170.db2.gz HYIBWVMZGUAUQN-SSDVNMTOSA-N 0 0 610.613 6.104 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409344707 1072430704 /nfs/dbraw/zinc/43/07/04/1072430704.db2.gz GMVUKDLCOMKSIG-GATIEOLUSA-N 0 0 544.569 8.266 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1Cl ZINC000409344537 1072431148 /nfs/dbraw/zinc/43/11/48/1072431148.db2.gz GYEZFBDRWYYNNG-WSDLNYQXSA-N 0 0 576.921 7.105 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCC ZINC000409344620 1072432205 /nfs/dbraw/zinc/43/22/05/1072432205.db2.gz HOOGJJJRESGJEN-MFOYZWKCSA-N 0 0 580.296 6.801 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 ZINC000409344617 1072432244 /nfs/dbraw/zinc/43/22/44/1072432244.db2.gz HONINHFWPXQNSZ-JAIQZWGSSA-N 0 0 536.940 7.465 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409344382 1072432335 /nfs/dbraw/zinc/43/23/35/1072432335.db2.gz IYJPYSQTYBCKPK-OCKHKDLRSA-N 0 0 534.402 6.503 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409344278 1072433918 /nfs/dbraw/zinc/43/39/18/1072433918.db2.gz IIAFTHMJCBXUIQ-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409344080 1072434910 /nfs/dbraw/zinc/43/49/10/1072434910.db2.gz FGPMFPRHZVUJDE-QRVIBDJDSA-N 0 0 550.916 8.030 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409343915 1072436109 /nfs/dbraw/zinc/43/61/09/1072436109.db2.gz DUDUSXNNXUXNJT-YDZHTSKRSA-N 0 0 522.026 6.478 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(F)c1 ZINC000409343630 1072438487 /nfs/dbraw/zinc/43/84/87/1072438487.db2.gz HXOKFTPVLDVVTM-SRZZPIQSSA-N 0 0 545.411 6.481 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3OC)SC2=S)cc1Cl ZINC000409343650 1072439142 /nfs/dbraw/zinc/43/91/42/1072439142.db2.gz FMPUQMLAIOLHGI-OPEKNORGSA-N 0 0 526.123 7.231 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1 ZINC000409343474 1072439586 /nfs/dbraw/zinc/43/95/86/1072439586.db2.gz HFNRZYHZISKCDX-LPYMAVHISA-N 0 0 537.041 6.686 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2)c1 ZINC000409343367 1072441275 /nfs/dbraw/zinc/44/12/75/1072441275.db2.gz GQLPXESXZRXREK-MYYYXRDXSA-N 0 0 519.648 6.426 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409343436 1072441887 /nfs/dbraw/zinc/44/18/87/1072441887.db2.gz GTYXBMCWDFFEKP-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4c(F)cccc4Cl)c3)SC2=S)cc1Cl ZINC000409343191 1072442450 /nfs/dbraw/zinc/44/24/50/1072442450.db2.gz CUXZKMNFSXYVCX-FOKLQQMPSA-N 0 0 550.460 7.135 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409343281 1072443107 /nfs/dbraw/zinc/44/31/07/1072443107.db2.gz DITGLWLAQYAAKG-KGENOOAVSA-N 0 0 501.582 5.008 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409343288 1072443183 /nfs/dbraw/zinc/44/31/83/1072443183.db2.gz DKGFENOVGIAZSM-UUYOSTAYSA-N 0 0 509.524 7.030 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409343105 1072444302 /nfs/dbraw/zinc/44/43/02/1072444302.db2.gz FYDZDATXXGOABO-XKZIYDEJSA-N 0 0 605.373 7.201 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409342990 1072445361 /nfs/dbraw/zinc/44/53/61/1072445361.db2.gz FOVVLUPOQNPTRO-FOKLQQMPSA-N 0 0 651.931 7.057 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OC)c3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409342781 1072446511 /nfs/dbraw/zinc/44/65/11/1072446511.db2.gz FAMRLTFFMBOTLG-HYARGMPZSA-N 0 0 541.050 5.482 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342416 1072449796 /nfs/dbraw/zinc/44/97/96/1072449796.db2.gz DTMYTISMQVWSDU-JJFYIABZSA-N 0 0 640.364 8.048 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCC ZINC000409342195 1072450243 /nfs/dbraw/zinc/45/02/43/1072450243.db2.gz AONJIKNVPPKEKU-LDADJPATSA-N 0 0 525.433 5.803 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)o2)cc1 ZINC000409342024 1072451574 /nfs/dbraw/zinc/45/15/74/1072451574.db2.gz BDCZIBOAVLALSJ-HZHRSRAPSA-N 0 0 528.051 6.971 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S)c1ccc(Cl)cc1 ZINC000409341415 1072457189 /nfs/dbraw/zinc/45/71/89/1072457189.db2.gz ALHDHPRFKKGETN-QRVIBDJDSA-N 0 0 522.026 6.028 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)SC2=S)cc1 ZINC000409341456 1072457264 /nfs/dbraw/zinc/45/72/64/1072457264.db2.gz AZBZIKIOGDDFIJ-YZSQISJMSA-N 0 0 526.639 5.974 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)cc1 ZINC000409341279 1072458617 /nfs/dbraw/zinc/45/86/17/1072458617.db2.gz ASBNGICOCKHQQQ-XQNSMLJCSA-N 0 0 509.674 7.031 40 10 KKCBRN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409341299 1072458688 /nfs/dbraw/zinc/45/86/88/1072458688.db2.gz AXIDAWLRBOCSIN-PXNMLYILSA-N 0 0 532.710 6.337 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000409341209 1072460402 /nfs/dbraw/zinc/46/04/02/1072460402.db2.gz ADZWZJINKDQOSX-XKZIYDEJSA-N 0 0 557.447 6.351 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2)cc1C ZINC000409341261 1072460970 /nfs/dbraw/zinc/46/09/70/1072460970.db2.gz ANUYRGOEXVSXES-QRVIBDJDSA-N 0 0 571.493 6.628 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409340456 1072466395 /nfs/dbraw/zinc/46/63/95/1072466395.db2.gz XNFVRKWCLUQSPP-LGJNPRDNSA-N 0 0 567.176 7.061 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)OC)c(OCC)c3)SC2=S)cc1 ZINC000409340463 1072466846 /nfs/dbraw/zinc/46/68/46/1072466846.db2.gz XPKOONQYDZMFLL-UNOMPAQXSA-N 0 0 552.468 5.204 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409340471 1072466954 /nfs/dbraw/zinc/46/69/54/1072466954.db2.gz XSKOOEBNCUKBJE-QRVIBDJDSA-N 0 0 500.016 6.781 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409124427 1072467433 /nfs/dbraw/zinc/46/74/33/1072467433.db2.gz ABIJKIMDPGAKAR-FMCGGJTJSA-N 0 0 584.358 7.620 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409340323 1072468040 /nfs/dbraw/zinc/46/80/40/1072468040.db2.gz VDDFPPIWRQYUAT-MTJSOVHGSA-N 0 0 530.440 6.582 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1O ZINC000409340136 1072468529 /nfs/dbraw/zinc/46/85/29/1072468529.db2.gz QZRBWJUAVPCION-CHHVJCJISA-N 0 0 552.242 6.108 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409340231 1072469637 /nfs/dbraw/zinc/46/96/37/1072469637.db2.gz SOEOIUYTWDCEPC-FMQZQXMHSA-N 0 0 563.278 5.722 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409339954 1072469642 /nfs/dbraw/zinc/46/96/42/1072469642.db2.gz NLONHKJIOMQRSC-NHDPSOOVSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)SC2=S)cc1Cl ZINC000409340006 1072470122 /nfs/dbraw/zinc/47/01/22/1072470122.db2.gz OKOSJERGYCRHRU-CVKSISIWSA-N 0 0 518.059 7.487 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409340025 1072470184 /nfs/dbraw/zinc/47/01/84/1072470184.db2.gz OYXNVHAOZBMJMQ-HMAPJEAMSA-N 0 0 505.577 5.327 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409340037 1072470706 /nfs/dbraw/zinc/47/07/06/1072470706.db2.gz PCJKTEARUIZAAX-UCQKPKSFSA-N 0 0 527.023 6.632 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409339909 1072472253 /nfs/dbraw/zinc/47/22/53/1072472253.db2.gz ZRPBAUWUSFANEW-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409339924 1072472335 /nfs/dbraw/zinc/47/23/35/1072472335.db2.gz ZXFVFEOJPPFMKF-CVKSISIWSA-N 0 0 592.699 5.873 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409127308 1072472483 /nfs/dbraw/zinc/47/24/83/1072472483.db2.gz PJZGOAGQGGEOKH-CFRMEGHHSA-N 0 0 539.013 5.733 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1 ZINC000409339588 1072474682 /nfs/dbraw/zinc/47/46/82/1072474682.db2.gz WPIJGONUFLGEQW-NHDPSOOVSA-N 0 0 595.418 7.883 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc(Br)cc1 ZINC000409339613 1072474727 /nfs/dbraw/zinc/47/47/27/1072474727.db2.gz XCRCYSYSXKKTTR-MTJSOVHGSA-N 0 0 579.310 7.336 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409339653 1072475294 /nfs/dbraw/zinc/47/52/94/1072475294.db2.gz KBRRFXUMQZOYOI-LPYMAVHISA-N 0 0 530.440 6.582 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409136995 1072475905 /nfs/dbraw/zinc/47/59/05/1072475905.db2.gz ZJXOFTFNRJFABL-QQXSKIMKSA-N 0 0 550.612 5.857 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339472 1072476333 /nfs/dbraw/zinc/47/63/33/1072476333.db2.gz IQOWHMROUWNIIZ-MFKUBSTISA-N 0 0 596.130 5.919 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(c5ccc(C)cc5)C4=O)c3C)cc2)cc1 ZINC000409136681 1072477467 /nfs/dbraw/zinc/47/74/67/1072477467.db2.gz YJDDONUDPBCSMF-VEILYXNESA-N 0 0 510.615 7.444 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409339077 1072478092 /nfs/dbraw/zinc/47/80/92/1072478092.db2.gz RNXARLJYTYVDBX-CIAFOILYSA-N 0 0 609.336 7.344 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)S1)c1ccccc1 ZINC000409136471 1072478121 /nfs/dbraw/zinc/47/81/21/1072478121.db2.gz RJJIHWJCNRJJSX-BKUYFWCQSA-N 0 0 538.379 5.337 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409339362 1072478217 /nfs/dbraw/zinc/47/82/17/1072478217.db2.gz UNOOABMWYZPDCG-NHDPSOOVSA-N 0 0 581.340 7.749 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S ZINC000409339172 1072478694 /nfs/dbraw/zinc/47/86/94/1072478694.db2.gz SMZSJXJKLAIKCB-PCLIKHOPSA-N 0 0 502.661 6.542 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409339010 1072479754 /nfs/dbraw/zinc/47/97/54/1072479754.db2.gz DCYSWYTWRONKNB-BUVRLJJBSA-N 0 0 650.991 7.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409338980 1072479758 /nfs/dbraw/zinc/47/97/58/1072479758.db2.gz CUUWWTRLKVYRSF-FMCGGJTJSA-N 0 0 526.035 6.452 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409338689 1072482446 /nfs/dbraw/zinc/48/24/46/1072482446.db2.gz OLGNDZVDTNXHHE-XKZIYDEJSA-N 0 0 623.363 7.734 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)c1 ZINC000409338673 1072482472 /nfs/dbraw/zinc/48/24/72/1072482472.db2.gz ODRQDOAWBMIVFH-LPYMAVHISA-N 0 0 526.617 5.385 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409135839 1072483779 /nfs/dbraw/zinc/48/37/79/1072483779.db2.gz SMKYTIRZLIEJMP-OYKKKHCWSA-N 0 0 523.705 7.011 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1 ZINC000409338371 1072484772 /nfs/dbraw/zinc/48/47/72/1072484772.db2.gz ISZWFQPKDBUIOD-MYYYXRDXSA-N 0 0 504.080 6.815 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338348 1072484795 /nfs/dbraw/zinc/48/47/95/1072484795.db2.gz IFUUGPIHPZTTHR-QRVIBDJDSA-N 0 0 537.575 5.887 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409338618 1072484807 /nfs/dbraw/zinc/48/48/07/1072484807.db2.gz NAYBCQHQUUCVDS-MYYYXRDXSA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409338465 1072486101 /nfs/dbraw/zinc/48/61/01/1072486101.db2.gz KMEKOCQDHDYDHX-LPYMAVHISA-N 0 0 546.548 7.210 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409338466 1072486153 /nfs/dbraw/zinc/48/61/53/1072486153.db2.gz KMXIUSHZRQQDOA-HMAPJEAMSA-N 0 0 618.474 6.583 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409338071 1072488303 /nfs/dbraw/zinc/48/83/03/1072488303.db2.gz CLKQJHGXAJMMNR-FSJBWODESA-N 0 0 672.393 7.990 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409135092 1072488876 /nfs/dbraw/zinc/48/88/76/1072488876.db2.gz PSHJYLSPWHJTAX-JLPGSUDCSA-N 0 0 523.496 7.143 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409338164 1072488874 /nfs/dbraw/zinc/48/88/74/1072488874.db2.gz FBSPOBXMMLUXCV-MFKUBSTISA-N 0 0 641.406 8.358 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409134937 1072489378 /nfs/dbraw/zinc/48/93/78/1072489378.db2.gz QGLTWJHSQMMSGY-UUYOSTAYSA-N 0 0 653.325 6.976 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409338015 1072489934 /nfs/dbraw/zinc/48/99/34/1072489934.db2.gz BLCJXMOIJSAGBL-FSJBWODESA-N 0 0 609.394 8.448 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409337971 1072489959 /nfs/dbraw/zinc/48/99/59/1072489959.db2.gz ALEXLASCBWYJRY-CFRMEGHHSA-N 0 0 557.524 7.540 40 10 KKCBRN C[C@@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c(/C=c2/sc3nc4ccccc4n3c2=O)cc1[N+](=O)[O-] ZINC000409337816 1072491648 /nfs/dbraw/zinc/49/16/48/1072491648.db2.gz WOCNKBCLOWXAJG-RXZJTGQXSA-N 0 0 517.655 5.123 40 10 KKCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409134657 1072491716 /nfs/dbraw/zinc/49/17/16/1072491716.db2.gz WZWUQJKMEZDWNY-GRSHGNNSSA-N 0 0 507.475 5.358 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409134421 1072492175 /nfs/dbraw/zinc/49/21/75/1072492175.db2.gz SMDOWAMTEQIGCI-MYYYXRDXSA-N 0 0 583.960 7.932 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)SC2=S)cc1 ZINC000409134376 1072493354 /nfs/dbraw/zinc/49/33/54/1072493354.db2.gz OJSFHUNTPUFGQG-YUMHPJSZSA-N 0 0 562.717 6.403 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409134163 1072493855 /nfs/dbraw/zinc/49/38/55/1072493855.db2.gz MZXJPLSJGYNVAA-DIBXZPPDSA-N 0 0 520.720 6.901 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000409134155 1072493883 /nfs/dbraw/zinc/49/38/83/1072493883.db2.gz NVHAYYNYKOWJMF-ONUIUJJFSA-N 0 0 501.652 5.930 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(c5ccc(Cl)cc5)C4=O)c3C)cc2)cc1 ZINC000409130854 1072513357 /nfs/dbraw/zinc/51/33/57/1072513357.db2.gz VEAUUAAOYVCPHX-PKAZHMFMSA-N 0 0 531.033 7.789 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(C[C@H]5CCCO5)C4=O)c3C)cc2)cc1 ZINC000409128871 1072522806 /nfs/dbraw/zinc/52/28/06/1072522806.db2.gz UMWHMSUYHMPOGH-SYQPQHDQSA-N 0 0 520.676 6.275 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409352945 1072523676 /nfs/dbraw/zinc/52/36/76/1072523676.db2.gz ZPZVVIRCNJYWHD-YVNNLAQVSA-N 0 0 634.917 6.443 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409128797 1072524215 /nfs/dbraw/zinc/52/42/15/1072524215.db2.gz SMGLSJLPGRXPNY-XYGWBWBKSA-N 0 0 509.140 7.687 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(CCC5CCCC5)C4=O)c3C)cc2)cc1 ZINC000409128773 1072524223 /nfs/dbraw/zinc/52/42/23/1072524223.db2.gz KWIYOXITUGQPRS-USHMODERSA-N 0 0 532.731 7.677 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409352993 1072524250 /nfs/dbraw/zinc/52/42/50/1072524250.db2.gz ZWDLVUNBJZCVKR-MFOYZWKCSA-N 0 0 547.374 6.780 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409352961 1072524383 /nfs/dbraw/zinc/52/43/83/1072524383.db2.gz ZSOTYQRFAGJQEV-IWIPYMOSSA-N 0 0 705.380 8.034 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccccc1F ZINC000409352908 1072525477 /nfs/dbraw/zinc/52/54/77/1072525477.db2.gz ZMYOTEBYHKHWRK-JAIQZWGSSA-N 0 0 520.485 6.951 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000409352922 1072525669 /nfs/dbraw/zinc/52/56/69/1072525669.db2.gz ZKOOBEIYRIMXMI-NDENLUEZSA-N 0 0 601.813 7.978 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409352653 1072526083 /nfs/dbraw/zinc/52/60/83/1072526083.db2.gz XROJDAWWFAOMBJ-XKZIYDEJSA-N 0 0 623.921 6.947 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409128121 1072526704 /nfs/dbraw/zinc/52/67/04/1072526704.db2.gz DNVPDTXCTBYJPY-OGLMXYFKSA-N 0 0 535.109 7.943 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)c(C)c1 ZINC000409352643 1072527862 /nfs/dbraw/zinc/52/78/62/1072527862.db2.gz XPAUJGJESAHUAO-AFUMVMLFSA-N 0 0 515.635 6.442 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409352619 1072527960 /nfs/dbraw/zinc/52/79/60/1072527960.db2.gz XIOOYFJFUHFLDL-JAIQZWGSSA-N 0 0 581.435 6.856 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(OC)c3)SC2=S)cc1Cl ZINC000409352030 1072531469 /nfs/dbraw/zinc/53/14/69/1072531469.db2.gz VPLWSYWOQCBROT-VIZOYTHASA-N 0 0 533.796 5.073 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409144832 1072532500 /nfs/dbraw/zinc/53/25/00/1072532500.db2.gz QBOPTTFAALIMHS-SWNXQHNESA-N 0 0 516.486 5.379 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409351632 1072532662 /nfs/dbraw/zinc/53/26/62/1072532662.db2.gz VFALXRZSOOHZOT-CFRMEGHHSA-N 0 0 522.623 5.874 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409144720 1072533332 /nfs/dbraw/zinc/53/33/32/1072533332.db2.gz OTKGQBUCJYPQPM-WGOQTCKBSA-N 0 0 566.079 5.222 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409144315 1072534387 /nfs/dbraw/zinc/53/43/87/1072534387.db2.gz JIDFXBQQFFTIRF-YDZHTSKRSA-N 0 0 570.048 5.690 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409144379 1072534922 /nfs/dbraw/zinc/53/49/22/1072534922.db2.gz JRSDVFHSLHXMCP-QRVIBDJDSA-N 0 0 635.964 7.074 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409351416 1072535849 /nfs/dbraw/zinc/53/58/49/1072535849.db2.gz UPZKSLFOHJDXNB-OEAKJJBVSA-N 0 0 571.474 6.741 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409351213 1072536761 /nfs/dbraw/zinc/53/67/61/1072536761.db2.gz ZKKZOCUXPNRTMP-FOKLQQMPSA-N 0 0 522.560 5.317 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409351270 1072537188 /nfs/dbraw/zinc/53/71/88/1072537188.db2.gz SWQGSVPDWVHAOM-MYKKPKGFSA-N 0 0 570.498 6.990 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409144155 1072537687 /nfs/dbraw/zinc/53/76/87/1072537687.db2.gz OCSOWIICRHFRJS-ZMFRSBBQSA-N 0 0 599.572 6.993 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409351332 1072537624 /nfs/dbraw/zinc/53/76/24/1072537624.db2.gz UBNNOLTZOHQEIQ-LPYMAVHISA-N 0 0 521.576 5.027 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409351190 1072538957 /nfs/dbraw/zinc/53/89/57/1072538957.db2.gz ZZZKYKHJBGXQER-LPYMAVHISA-N 0 0 546.895 7.096 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409351161 1072539035 /nfs/dbraw/zinc/53/90/35/1072539035.db2.gz ZVJBIZNTDDPCTG-JMIUGGIZSA-N 0 0 640.762 7.758 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409143692 1072540263 /nfs/dbraw/zinc/54/02/63/1072540263.db2.gz GRKJBTWYZZXBEL-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409350804 1072540443 /nfs/dbraw/zinc/54/04/43/1072540443.db2.gz SOIPQEPEOHMFSA-CIAFOILYSA-N 0 0 595.765 7.850 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S)c1ccc(Cl)cc1 ZINC000409350474 1072542211 /nfs/dbraw/zinc/54/22/11/1072542211.db2.gz YJJZNTOJLYPIJO-RGVLZGJSSA-N 0 0 571.442 6.414 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S ZINC000409350372 1072543466 /nfs/dbraw/zinc/54/34/66/1072543466.db2.gz YDBWXRLWLMHNBS-CIAFOILYSA-N 0 0 516.522 7.120 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409142905 1072544425 /nfs/dbraw/zinc/54/44/25/1072544425.db2.gz FFLMXRPQOSMNDL-WSDLNYQXSA-N 0 0 608.366 7.190 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409350271 1072544894 /nfs/dbraw/zinc/54/48/94/1072544894.db2.gz XTHNQLLEQDCYOC-MTJSOVHGSA-N 0 0 628.340 7.591 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1Cl ZINC000409350259 1072544922 /nfs/dbraw/zinc/54/49/22/1072544922.db2.gz XRZFHXCXZUABMC-WSDLNYQXSA-N 0 0 546.895 7.096 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409350038 1072545470 /nfs/dbraw/zinc/54/54/70/1072545470.db2.gz WVOHMJQMBSYOFR-JJFYIABZSA-N 0 0 674.263 8.902 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000409142825 1072545933 /nfs/dbraw/zinc/54/59/33/1072545933.db2.gz GGBZMSJASPJCES-MZJWZYIUSA-N 0 0 589.783 6.276 40 10 KKCBRN O=C1[C@@H](Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409142616 1072546202 /nfs/dbraw/zinc/54/62/02/1072546202.db2.gz BCWQFYUWWAXLJM-OAQYLSRUSA-N 0 0 629.798 7.555 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409142448 1072547200 /nfs/dbraw/zinc/54/72/00/1072547200.db2.gz LLKPFTCYKPSQSM-HMAPJEAMSA-N 0 0 571.880 6.481 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409349821 1072547537 /nfs/dbraw/zinc/54/75/37/1072547537.db2.gz WIPFFKVVSTUIJA-OYKKKHCWSA-N 0 0 538.622 5.656 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1Cl ZINC000409349827 1072547631 /nfs/dbraw/zinc/54/76/31/1072547631.db2.gz WJDMIQLUBRAQHG-UFFVCSGVSA-N 0 0 660.236 8.512 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc2ccccc21 ZINC000409349659 1072548314 /nfs/dbraw/zinc/54/83/14/1072548314.db2.gz VRWLKTRVNSOOSQ-MFKUBSTISA-N 0 0 577.481 7.495 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409349668 1072548362 /nfs/dbraw/zinc/54/83/62/1072548362.db2.gz VTWDOBNDHWBOLF-OPEKNORGSA-N 0 0 627.538 6.227 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409349681 1072548394 /nfs/dbraw/zinc/54/83/94/1072548394.db2.gz VUKNOZMTQUVTLR-YDZHTSKRSA-N 0 0 590.948 7.495 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409349460 1072548882 /nfs/dbraw/zinc/54/88/82/1072548882.db2.gz QGMLFXYFAHLUTK-IWIPYMOSSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409349492 1072549343 /nfs/dbraw/zinc/54/93/43/1072549343.db2.gz PTRAHULMIXYILX-UCQKPKSFSA-N 0 0 543.041 6.003 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409349573 1072549676 /nfs/dbraw/zinc/54/96/76/1072549676.db2.gz VJRBZLPILKESBM-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409142067 1072550056 /nfs/dbraw/zinc/55/00/56/1072550056.db2.gz QICJYJDQGCKZCO-MSXFZWOLSA-N 0 0 506.693 6.076 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409349157 1072550689 /nfs/dbraw/zinc/55/06/89/1072550689.db2.gz UQHBNIULYHGFIU-CIAFOILYSA-N 0 0 656.336 7.186 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1Cl ZINC000409349425 1072550697 /nfs/dbraw/zinc/55/06/97/1072550697.db2.gz PTPWXAVUNLDMGQ-MFOYZWKCSA-N 0 0 514.477 6.063 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409349196 1072551123 /nfs/dbraw/zinc/55/11/23/1072551123.db2.gz VJDHCVOCEVPUIG-MYYYXRDXSA-N 0 0 521.132 7.779 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)cc1 ZINC000409349174 1072551194 /nfs/dbraw/zinc/55/11/94/1072551194.db2.gz UTDMQRJIDHGLJA-MTJSOVHGSA-N 0 0 685.346 6.889 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409349253 1072551533 /nfs/dbraw/zinc/55/15/33/1072551533.db2.gz VDFSUPYNQVTYCH-MTJSOVHGSA-N 0 0 539.547 5.718 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)c1 ZINC000409349099 1072552922 /nfs/dbraw/zinc/55/29/22/1072552922.db2.gz UXSPWBFTXRCSNT-CIAFOILYSA-N 0 0 540.066 7.342 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409141523 1072553585 /nfs/dbraw/zinc/55/35/85/1072553585.db2.gz KCJKNNMQBSHZGO-FMCGGJTJSA-N 0 0 557.466 6.616 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409141316 1072554027 /nfs/dbraw/zinc/55/40/27/1072554027.db2.gz VASWHFOBAGFCCQ-NVIPHDJISA-N 0 0 515.075 6.425 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409348983 1072554193 /nfs/dbraw/zinc/55/41/93/1072554193.db2.gz TYNWHOCOVCDPRB-FOKLQQMPSA-N 0 0 560.480 7.106 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409348984 1072554208 /nfs/dbraw/zinc/55/42/08/1072554208.db2.gz UDOQMPRFXOYDCS-GZTJUZNOSA-N 0 0 545.851 6.148 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409348843 1072555141 /nfs/dbraw/zinc/55/51/41/1072555141.db2.gz SVKQXLZRQUQPAV-NHDPSOOVSA-N 0 0 536.889 7.640 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)S1)c1ccccc1 ZINC000409141232 1072555481 /nfs/dbraw/zinc/55/54/81/1072555481.db2.gz HIKJTMQPCBUGCT-NDENLUEZSA-N 0 0 606.723 6.844 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409348448 1072556114 /nfs/dbraw/zinc/55/61/14/1072556114.db2.gz SSYGJKATGBREMW-UUYOSTAYSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409348457 1072556559 /nfs/dbraw/zinc/55/65/59/1072556559.db2.gz NOWKEZHYUIVEJB-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409140665 1072557313 /nfs/dbraw/zinc/55/73/13/1072557313.db2.gz LCVVHRZBHYNJOF-ROTLSHHCSA-N 0 0 597.158 6.325 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409348131 1072558166 /nfs/dbraw/zinc/55/81/66/1072558166.db2.gz ROKDETLRIFPPIP-CFRMEGHHSA-N 0 0 570.670 5.702 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1Cl ZINC000409348397 1072558219 /nfs/dbraw/zinc/55/82/19/1072558219.db2.gz SJFCXLLHOZJUIE-JJFYIABZSA-N 0 0 564.885 7.235 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409347864 1072560034 /nfs/dbraw/zinc/56/00/34/1072560034.db2.gz NEYKGGKYVNPYEJ-CIAFOILYSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409347732 1072561382 /nfs/dbraw/zinc/56/13/82/1072561382.db2.gz MQCIOOHLJWVIDH-VXLYETTFSA-N 0 0 551.827 6.685 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409347739 1072561539 /nfs/dbraw/zinc/56/15/39/1072561539.db2.gz MQEKXLMWTQCRAL-JAIQZWGSSA-N 0 0 537.426 7.281 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)c1 ZINC000409347594 1072562372 /nfs/dbraw/zinc/56/23/72/1072562372.db2.gz MHCNCXNGSHVYIW-WSDLNYQXSA-N 0 0 573.921 6.834 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409347583 1072562429 /nfs/dbraw/zinc/56/24/29/1072562429.db2.gz MGEFYLMZNXEJOA-ATVHPVEESA-N 0 0 511.406 5.494 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409347653 1072562832 /nfs/dbraw/zinc/56/28/32/1072562832.db2.gz QUIFEYRRSADEHB-AFPJDJCSSA-N 0 0 571.334 8.294 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347673 1072563264 /nfs/dbraw/zinc/56/32/64/1072563264.db2.gz QOBJJACXXFWZNU-XKZIYDEJSA-N 0 0 605.919 7.394 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409139570 1072564315 /nfs/dbraw/zinc/56/43/15/1072564315.db2.gz BKPKMXIYSHOVSF-IMRQLAEWSA-N 0 0 508.599 6.218 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409139235 1072565707 /nfs/dbraw/zinc/56/57/07/1072565707.db2.gz AIZBTYMWNXWRGR-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409139471 1072565718 /nfs/dbraw/zinc/56/57/18/1072565718.db2.gz AZQWDRLMLMYAPU-XKZIYDEJSA-N 0 0 564.571 5.338 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccccc34)SC2=S)cc1 ZINC000409138358 1072570771 /nfs/dbraw/zinc/57/07/71/1072570771.db2.gz ANGPKSDQTGIUKL-IWIPYMOSSA-N 0 0 505.665 5.064 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 ZINC000409138052 1072572069 /nfs/dbraw/zinc/57/20/69/1072572069.db2.gz ZHHCERGAAMQLCA-FKYOTISTSA-N 0 0 584.561 5.143 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC1=S ZINC000409138155 1072572710 /nfs/dbraw/zinc/57/27/10/1072572710.db2.gz ZEVVSENAFHBBOQ-MTJSOVHGSA-N 0 0 535.460 5.470 40 10 KKCBRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409366668 1072572990 /nfs/dbraw/zinc/57/29/90/1072572990.db2.gz UIWMADQABPEIMV-NVQSTNCTSA-N 0 0 513.627 5.683 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)SC2=S)cc1 ZINC000409137803 1072573830 /nfs/dbraw/zinc/57/38/30/1072573830.db2.gz WPDMUJBSKJYOCH-CFRMEGHHSA-N 0 0 533.700 5.429 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409366156 1072575333 /nfs/dbraw/zinc/57/53/33/1072575333.db2.gz YJYGDHOPXGIKTI-UHFFFAOYSA-N 0 0 579.584 5.825 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409137334 1072575839 /nfs/dbraw/zinc/57/58/39/1072575839.db2.gz VSRVKIMISXROJZ-YSMPRRRNSA-N 0 0 533.118 7.315 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409137587 1072575848 /nfs/dbraw/zinc/57/58/48/1072575848.db2.gz YKCZLIONGMWQTE-MYYYXRDXSA-N 0 0 527.130 7.826 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409147201 1072577619 /nfs/dbraw/zinc/57/76/19/1072577619.db2.gz WTDKLTZNLIYENU-WKULSOCRSA-N 0 0 584.763 6.876 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccc(Br)cc23)SC1=S ZINC000409146900 1072578888 /nfs/dbraw/zinc/57/88/88/1072578888.db2.gz LRUQVZYZOQVUJK-LIQPLZLLSA-N 0 0 534.545 5.662 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409146681 1072579101 /nfs/dbraw/zinc/57/91/01/1072579101.db2.gz UYOIKPMOPFMEAI-HZHRSRAPSA-N 0 0 555.077 6.412 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000409146790 1072580607 /nfs/dbraw/zinc/58/06/07/1072580607.db2.gz KROPOZMNSNOQGK-XYGWBWBKSA-N 0 0 529.687 5.557 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409146075 1072583365 /nfs/dbraw/zinc/58/33/65/1072583365.db2.gz QWHRCPFKTZZSLI-YSURURNPSA-N 0 0 633.670 6.863 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409146055 1072584612 /nfs/dbraw/zinc/58/46/12/1072584612.db2.gz QJFKJJPZPWTSAX-RGVLZGJSSA-N 0 0 557.009 5.299 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409146005 1072584748 /nfs/dbraw/zinc/58/47/48/1072584748.db2.gz RGAJZOALRPQBGV-LGJNPRDNSA-N 0 0 593.727 6.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409146061 1072584993 /nfs/dbraw/zinc/58/49/93/1072584993.db2.gz QOTGWZXYIDELJQ-SSDVNMTOSA-N 0 0 624.018 6.923 40 10 KKCBRN CCCOc1cc(Br)c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409363990 1072587453 /nfs/dbraw/zinc/58/74/53/1072587453.db2.gz VFFWMXACGJXTEL-UHFFFAOYSA-N 0 0 535.394 5.830 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409145355 1072587384 /nfs/dbraw/zinc/58/73/84/1072587384.db2.gz NXSOWWBZVJKVDE-ZVHZXABRSA-N 0 0 584.075 6.081 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409145187 1072588234 /nfs/dbraw/zinc/58/82/34/1072588234.db2.gz NFGSVVGFEXBTRM-BRJLIKDPSA-N 0 0 709.071 7.371 40 10 KKCBRN CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409363700 1072588726 /nfs/dbraw/zinc/58/87/26/1072588726.db2.gz VQBLCRDWGHGVBH-QVIHXGFCSA-N 0 0 520.659 7.017 40 10 KKCBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409147375 1072591109 /nfs/dbraw/zinc/59/11/09/1072591109.db2.gz XCTSDZUTQPMZPA-CFRMEGHHSA-N 0 0 506.693 6.077 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157241 1072591556 /nfs/dbraw/zinc/59/15/56/1072591556.db2.gz ICWGOOOGHYUZHW-UNVFRBQDSA-N 0 0 555.856 7.733 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157293 1072592107 /nfs/dbraw/zinc/59/21/07/1072592107.db2.gz IFHGLSCCTMRJAZ-KCYKTTMJSA-N 0 0 599.274 9.189 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409155911 1072597636 /nfs/dbraw/zinc/59/76/36/1072597636.db2.gz RVHQAPXBLOCYLW-SWYRRKHMSA-N 0 0 569.883 8.042 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409155316 1072599830 /nfs/dbraw/zinc/59/98/30/1072599830.db2.gz IGXAMSJLBDHZCA-DYLHXGEVSA-N 0 0 569.883 8.042 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409154395 1072605544 /nfs/dbraw/zinc/60/55/44/1072605544.db2.gz ADGGNUYGQJKUPK-NHDPSOOVSA-N 0 0 533.959 6.441 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409154034 1072608799 /nfs/dbraw/zinc/60/87/99/1072608799.db2.gz JQFLCIJDANHWJL-GAKIBJFNSA-N 0 0 565.722 8.823 40 10 KKCBRN CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409359283 1072614010 /nfs/dbraw/zinc/61/40/10/1072614010.db2.gz IHEDOKGRXQRQKL-NVQSTNCTSA-N 0 0 571.559 8.184 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151332 1072623902 /nfs/dbraw/zinc/62/39/02/1072623902.db2.gz AQJHVIPERDVMLU-JXQFQVJHSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409151330 1072623915 /nfs/dbraw/zinc/62/39/15/1072623915.db2.gz AQJHVIPERDVMLU-IMWIBFENSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409151382 1072623923 /nfs/dbraw/zinc/62/39/23/1072623923.db2.gz GLSVCGDPVURSPD-GOHWNWGWSA-N 0 0 579.749 9.132 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000409373673 1072624727 /nfs/dbraw/zinc/62/47/27/1072624727.db2.gz YRLCWNCPYACPPA-RMORIDSASA-N 0 0 622.386 8.241 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)C2=O)ccc1Cl ZINC000409151259 1072624984 /nfs/dbraw/zinc/62/49/84/1072624984.db2.gz HDSQMLPPTJWMRD-LQKURTRISA-N 0 0 622.143 6.617 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409377258 1072625447 /nfs/dbraw/zinc/62/54/47/1072625447.db2.gz HAUASUNPLNXXTH-MFOYZWKCSA-N 0 0 580.296 6.407 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409150594 1072627882 /nfs/dbraw/zinc/62/78/82/1072627882.db2.gz CXBYDCURFOVWSO-YPCHGGDPSA-N 0 0 610.719 8.732 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409150115 1072631379 /nfs/dbraw/zinc/63/13/79/1072631379.db2.gz AGTXMXLQUHZJQT-LGVUCKNBSA-N 0 0 568.895 7.612 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149918 1072632043 /nfs/dbraw/zinc/63/20/43/1072632043.db2.gz VLGBEVRXVUADST-MYKKPKGFSA-N 0 0 601.563 6.616 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccncc1 ZINC000409149967 1072632572 /nfs/dbraw/zinc/63/25/72/1072632572.db2.gz WQTFHOVOYBTVAF-LPYMAVHISA-N 0 0 526.039 5.177 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409150000 1072632970 /nfs/dbraw/zinc/63/29/70/1072632970.db2.gz XXJBFYGFJWJYQC-ZVBGSRNCSA-N 0 0 544.054 5.957 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409149975 1072632985 /nfs/dbraw/zinc/63/29/85/1072632985.db2.gz WZRGJBGBWJFGPG-MXAYSNPKSA-N 0 0 583.175 6.767 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1 ZINC000409149708 1072635667 /nfs/dbraw/zinc/63/56/67/1072635667.db2.gz OEFXEGLFBWALEO-FSJBWODESA-N 0 0 536.675 5.572 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409149505 1072636092 /nfs/dbraw/zinc/63/60/92/1072636092.db2.gz ILEIDONVUIHWHN-AUEPDCJTSA-N 0 0 610.670 5.753 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409149500 1072636113 /nfs/dbraw/zinc/63/61/13/1072636113.db2.gz IGTMRWACLKZHJJ-MYYYXRDXSA-N 0 0 553.105 6.481 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3cc(Br)ccc32)cc1C ZINC000409148798 1072640479 /nfs/dbraw/zinc/64/04/79/1072640479.db2.gz RWENYBFZAALXJR-FJOJGSNPSA-N 0 0 571.562 6.480 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409373952 1072641039 /nfs/dbraw/zinc/64/10/39/1072641039.db2.gz WASFFHWQGUGAHR-FOKLQQMPSA-N 0 0 643.401 8.216 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409148620 1072641700 /nfs/dbraw/zinc/64/17/00/1072641700.db2.gz YWTTUHGCCJFEAK-QRQIAZFYSA-N 0 0 569.664 7.073 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000409373169 1072643058 /nfs/dbraw/zinc/64/30/58/1072643058.db2.gz RQBMHRQIHDNCDZ-ZVBGSRNCSA-N 0 0 599.348 7.817 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409372901 1072643990 /nfs/dbraw/zinc/64/39/90/1072643990.db2.gz SHMHAZMTMMOZNR-IDUWFGFVSA-N 0 0 577.309 6.101 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCCCC4)c4ccccc34)SC2=S)cc1 ZINC000409147556 1072647946 /nfs/dbraw/zinc/64/79/46/1072647946.db2.gz MTFLYCPORSJPCN-XYGWBWBKSA-N 0 0 519.692 5.454 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409147635 1072648485 /nfs/dbraw/zinc/64/84/85/1072648485.db2.gz YYNOESKBHOJHHC-JVWAILMASA-N 0 0 624.184 6.734 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000409371489 1072648608 /nfs/dbraw/zinc/64/86/08/1072648608.db2.gz KFHVYDLGXILRER-WQRHYEAKSA-N 0 0 534.406 5.630 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000409371436 1072649602 /nfs/dbraw/zinc/64/96/02/1072649602.db2.gz JDULGUMCYKHHLT-MKMNVTDBSA-N 0 0 596.255 5.250 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000409370807 1072651859 /nfs/dbraw/zinc/65/18/59/1072651859.db2.gz DOIJTSZHRAWMBT-UFFVCSGVSA-N 0 0 643.799 7.926 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C ZINC000409370565 1072654025 /nfs/dbraw/zinc/65/40/25/1072654025.db2.gz ATURYIXBEIRPOX-FMCGGJTJSA-N 0 0 601.537 6.566 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409370024 1072656930 /nfs/dbraw/zinc/65/69/30/1072656930.db2.gz JOCBKZKTFHPGPN-YBFXNURJSA-N 0 0 548.429 5.978 40 10 KKCBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)ccc1Cl ZINC000409164585 1072659049 /nfs/dbraw/zinc/65/90/49/1072659049.db2.gz KORKAXMZBJFNDI-AFPJDJCSSA-N 0 0 592.888 6.516 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409369121 1072661475 /nfs/dbraw/zinc/66/14/75/1072661475.db2.gz CVMDHCMKYYBBBW-AWQFTUOYSA-N 0 0 706.240 8.174 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368938 1072661489 /nfs/dbraw/zinc/66/14/89/1072661489.db2.gz SZCNWEWFSIFMSV-SSDVNMTOSA-N 0 0 745.404 7.422 40 10 KKCBRN COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409368990 1072661914 /nfs/dbraw/zinc/66/19/14/1072661914.db2.gz WMMBGSSENOKLHJ-YBFXNURJSA-N 0 0 504.420 6.093 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368763 1072662555 /nfs/dbraw/zinc/66/25/55/1072662555.db2.gz LHFCWELLENOSKH-CAOOACKPSA-N 0 0 682.345 5.486 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163857 1072663082 /nfs/dbraw/zinc/66/30/82/1072663082.db2.gz YTWMMQXYIDOFRT-IECBHUPTSA-N 0 0 541.283 7.626 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409368602 1072663749 /nfs/dbraw/zinc/66/37/49/1072663749.db2.gz DORNOBXACMDKBD-CFRMEGHHSA-N 0 0 631.563 6.520 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409368431 1072664184 /nfs/dbraw/zinc/66/41/84/1072664184.db2.gz VKSJCSKCXLIVBF-CFRMEGHHSA-N 0 0 631.563 6.656 40 10 KKCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409368317 1072665515 /nfs/dbraw/zinc/66/55/15/1072665515.db2.gz XSOFUDPKGIJEIV-ODLFYWEKSA-N 0 0 526.467 6.119 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409163071 1072666464 /nfs/dbraw/zinc/66/64/64/1072666464.db2.gz LOGNYGBQEKRSRI-WPWMEQJKSA-N 0 0 545.661 5.795 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000409368031 1072666562 /nfs/dbraw/zinc/66/65/62/1072666562.db2.gz QGFUBCJXRHSIPF-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)ccc1Cl ZINC000409163028 1072666596 /nfs/dbraw/zinc/66/65/96/1072666596.db2.gz KVZUUGMWDBSBOW-LPYMAVHISA-N 0 0 528.030 5.100 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409367839 1072667794 /nfs/dbraw/zinc/66/77/94/1072667794.db2.gz MHOYKPKLBYCALI-UFFVCSGVSA-N 0 0 657.370 7.421 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409162604 1072669056 /nfs/dbraw/zinc/66/90/56/1072669056.db2.gz XNAPMCDZQNKVGL-YDZHTSKRSA-N 0 0 709.971 6.685 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409367628 1072669377 /nfs/dbraw/zinc/66/93/77/1072669377.db2.gz GNYCVQBFFQZZGZ-BHGWPJFGSA-N 0 0 710.459 7.337 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S ZINC000409367610 1072669380 /nfs/dbraw/zinc/66/93/80/1072669380.db2.gz BMYRSSQVNJZWDJ-AFUMVMLFSA-N 0 0 580.518 7.664 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000409367624 1072669426 /nfs/dbraw/zinc/66/94/26/1072669426.db2.gz BTOOQQFVEKBHHY-NSIKDUERSA-N 0 0 503.776 5.493 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409162433 1072669513 /nfs/dbraw/zinc/66/95/13/1072669513.db2.gz DXLUSUAVIJQGHL-KCYKTTMJSA-N 0 0 565.722 8.823 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409162421 1072669555 /nfs/dbraw/zinc/66/95/55/1072669555.db2.gz VFBFODHQXLOMMP-STZFKDTASA-N 0 0 505.061 5.772 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S ZINC000409367676 1072669950 /nfs/dbraw/zinc/66/99/50/1072669950.db2.gz IBPYYKRBMNCEFZ-GIJQJNRQSA-N 0 0 569.835 6.753 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409367671 1072669962 /nfs/dbraw/zinc/66/99/62/1072669962.db2.gz HXXFDTLRSJRKSE-LSFURLLWSA-N 0 0 684.377 7.190 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000409367494 1072670302 /nfs/dbraw/zinc/67/03/02/1072670302.db2.gz BWNXFDWSJQZZHZ-VGOFMYFVSA-N 0 0 503.230 5.694 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409161886 1072674174 /nfs/dbraw/zinc/67/41/74/1072674174.db2.gz ZVJNDSVKNDBHHS-JJFYIABZSA-N 0 0 528.461 6.693 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409161297 1072677650 /nfs/dbraw/zinc/67/76/50/1072677650.db2.gz MROZDTNBFZQSGW-SRZZPIQSSA-N 0 0 570.992 5.803 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)SC1=S ZINC000409378160 1072677815 /nfs/dbraw/zinc/67/78/15/1072677815.db2.gz MWPMPZDWPXKYEA-NVMNQCDNSA-N 0 0 543.302 6.020 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409377385 1072680551 /nfs/dbraw/zinc/68/05/51/1072680551.db2.gz HTQVIPLBRFHQKB-SXGWCWSVSA-N 0 0 503.270 6.556 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409160691 1072680986 /nfs/dbraw/zinc/68/09/86/1072680986.db2.gz IAHWDTKKKNZPTH-QFEZKATASA-N 0 0 585.513 5.913 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)SC1=S ZINC000409386536 1072685684 /nfs/dbraw/zinc/68/56/84/1072685684.db2.gz MIIYKUQNJAAALQ-NVMNQCDNSA-N 0 0 509.403 5.166 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)o1 ZINC000409384978 1072695677 /nfs/dbraw/zinc/69/56/77/1072695677.db2.gz HWLYALGSXOTXHS-JFLMPSFJSA-N 0 0 621.509 7.052 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409383496 1072701877 /nfs/dbraw/zinc/70/18/77/1072701877.db2.gz VXYBUXDYPHGGSC-MNBJERMJSA-N 0 0 656.602 7.057 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409382710 1072706160 /nfs/dbraw/zinc/70/61/60/1072706160.db2.gz PTHFFMFBJHMWJD-PDGQHHTCSA-N 0 0 521.458 5.086 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409177157 1072709041 /nfs/dbraw/zinc/70/90/41/1072709041.db2.gz CGQSNSVYWSNXOW-DHRITJCHSA-N 0 0 571.095 6.918 40 10 KKCBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(N(C)C)c(Br)c2)cc1 ZINC000409176715 1072710676 /nfs/dbraw/zinc/71/06/76/1072710676.db2.gz VVQIILMWEBNMHR-LJAQVGFWSA-N 0 0 526.478 7.189 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409176574 1072711652 /nfs/dbraw/zinc/71/16/52/1072711652.db2.gz RMKRXXCFRHMKKX-ZMOGYAJESA-N 0 0 541.069 7.026 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409381354 1072712216 /nfs/dbraw/zinc/71/22/16/1072712216.db2.gz FOJOCEDMGKZEMP-MWLSYYOVSA-N 0 0 557.760 6.611 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409381321 1072712279 /nfs/dbraw/zinc/71/22/79/1072712279.db2.gz SWHSKXAMJKXCHS-UHFFFAOYSA-N 0 0 579.584 5.825 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S)c1ccccc1 ZINC000409175964 1072713907 /nfs/dbraw/zinc/71/39/07/1072713907.db2.gz GDHPAHINMGYTSE-QRVIBDJDSA-N 0 0 538.481 6.543 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409175804 1072714845 /nfs/dbraw/zinc/71/48/45/1072714845.db2.gz VCCYITHJJCVNPG-KYTVRQNUSA-N 0 0 604.328 8.695 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409175802 1072714898 /nfs/dbraw/zinc/71/48/98/1072714898.db2.gz VCCYITHJJCVNPG-DYLHXGEVSA-N 0 0 604.328 8.695 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409175454 1072716258 /nfs/dbraw/zinc/71/62/58/1072716258.db2.gz RMZNLFQZGCGPKX-IMWIBFENSA-N 0 0 575.728 8.279 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409380197 1072719147 /nfs/dbraw/zinc/71/91/47/1072719147.db2.gz KDAFWFMMQOYVSR-IWIPYMOSSA-N 0 0 501.604 5.873 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409379856 1072720634 /nfs/dbraw/zinc/72/06/34/1072720634.db2.gz ADVJXEYDTZKXGE-MSXFZWOLSA-N 0 0 524.017 5.508 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409379875 1072721089 /nfs/dbraw/zinc/72/10/89/1072721089.db2.gz ANRMFCCYEXDFEX-SXGWCWSVSA-N 0 0 503.270 6.556 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409173894 1072725593 /nfs/dbraw/zinc/72/55/93/1072725593.db2.gz OTSQHBSFUSMZPR-OPEKNORGSA-N 0 0 595.976 8.617 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409173166 1072729455 /nfs/dbraw/zinc/72/94/55/1072729455.db2.gz LMHVGKSWJSOGHC-OEAKJJBVSA-N 0 0 520.814 6.511 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409388318 1072738011 /nfs/dbraw/zinc/73/80/11/1072738011.db2.gz TYRBKROJBALJEU-QRVIBDJDSA-N 0 0 540.472 6.022 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409400186 1072746636 /nfs/dbraw/zinc/74/66/36/1072746636.db2.gz QASYBUADUFMBSK-XYGWBWBKSA-N 0 0 532.427 6.441 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N2 ZINC000409170065 1072747069 /nfs/dbraw/zinc/74/70/69/1072747069.db2.gz SIOGFLUJUAUDLS-HHJKRLRDSA-N 0 0 554.868 7.303 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409399888 1072747761 /nfs/dbraw/zinc/74/77/61/1072747761.db2.gz LURLHLAKPDVVAZ-NHDPSOOVSA-N 0 0 544.391 5.111 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409169651 1072748798 /nfs/dbraw/zinc/74/87/98/1072748798.db2.gz QQPBOVHXBKEFAN-XHNVNVPESA-N 0 0 571.855 7.433 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409169322 1072750303 /nfs/dbraw/zinc/75/03/03/1072750303.db2.gz PLKALLHGPCFWTD-MZJWZYIUSA-N 0 0 598.552 7.402 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409169013 1072751627 /nfs/dbraw/zinc/75/16/27/1072751627.db2.gz OTTJWFSPPSAYDF-JLELKNTQSA-N 0 0 607.375 9.837 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409167933 1072758515 /nfs/dbraw/zinc/75/85/15/1072758515.db2.gz KKTQURZUWRVOQO-JVWAILMASA-N 0 0 561.729 6.509 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186099 1072763680 /nfs/dbraw/zinc/76/36/80/1072763680.db2.gz WOMQOJYHYOHZOI-MUSMURTISA-N 0 0 831.616 9.737 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(I)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186124 1072764202 /nfs/dbraw/zinc/76/42/02/1072764202.db2.gz WZRHSZMGLMGNOJ-MFWYCIKYSA-N 0 0 663.537 6.277 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186165 1072764610 /nfs/dbraw/zinc/76/46/10/1072764610.db2.gz XXTWNIMTCXPJCB-PYGLDNELSA-N 0 0 815.823 10.373 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185922 1072764981 /nfs/dbraw/zinc/76/49/81/1072764981.db2.gz SPWLDBKQIKBHQJ-YLGWKZNWSA-N 0 0 667.831 7.967 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185966 1072765509 /nfs/dbraw/zinc/76/55/09/1072765509.db2.gz UAQRUNWVMVPSNW-UFVXGBARSA-N 0 0 682.890 8.611 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186004 1072765854 /nfs/dbraw/zinc/76/58/54/1072765854.db2.gz UWRIUWNWNXKKQS-RQBZGXNNSA-N 0 0 694.832 8.222 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409404609 1072766118 /nfs/dbraw/zinc/76/61/18/1072766118.db2.gz DYICPIINMQJNJT-BKUYFWCQSA-N 0 0 554.384 5.039 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186057 1072766382 /nfs/dbraw/zinc/76/63/82/1072766382.db2.gz VZUCLCRXVVURHQ-GALISKFYSA-N 0 0 752.771 8.799 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185812 1072766666 /nfs/dbraw/zinc/76/66/66/1072766666.db2.gz QNKONCSLGALBSM-DPJPYKTPSA-N 0 0 592.677 5.988 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185857 1072767190 /nfs/dbraw/zinc/76/71/90/1072767190.db2.gz RMPCGHXATRGCPK-RAIKAGCYSA-N 0 0 658.736 7.248 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185872 1072767539 /nfs/dbraw/zinc/76/75/39/1072767539.db2.gz RTWJNXIRANXKLI-SFCIACJFSA-N 0 0 711.932 8.334 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185647 1072768047 /nfs/dbraw/zinc/76/80/47/1072768047.db2.gz NWHNHPSNLPLLRO-JWEWMGFHSA-N 0 0 563.679 5.785 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185653 1072768501 /nfs/dbraw/zinc/76/85/01/1072768501.db2.gz OCFBAZBTWKHHHS-MLWVTIFLSA-N 0 0 790.780 9.128 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185697 1072768844 /nfs/dbraw/zinc/76/88/44/1072768844.db2.gz OTMDDIMHWLSYAX-IDUVMQHYSA-N 0 0 801.590 9.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185705 1072768894 /nfs/dbraw/zinc/76/88/94/1072768894.db2.gz OWWPJERHXGAJAH-ZKYIMASLSA-N 0 0 693.822 6.420 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185574 1072770187 /nfs/dbraw/zinc/77/01/87/1072770187.db2.gz MSBJABFVVZEEBI-OUQGZGRZSA-N 0 0 722.694 8.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185605 1072770716 /nfs/dbraw/zinc/77/07/16/1072770716.db2.gz NFLCEBUBMJTCHO-CMSNYSJNSA-N 0 0 797.690 8.403 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185345 1072770725 /nfs/dbraw/zinc/77/07/25/1072770725.db2.gz KTBHYPZRQIXRAR-GXKDRIIESA-N 0 0 858.198 9.316 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)cc2OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184968 1072773493 /nfs/dbraw/zinc/77/34/93/1072773493.db2.gz IVKFXVZJGOIQHF-ARRMCLJVSA-N 0 0 635.786 6.877 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185001 1072774034 /nfs/dbraw/zinc/77/40/34/1072774034.db2.gz JDEHAUKQVWBRFJ-WFQVFFQTSA-N 0 0 820.762 8.549 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184805 1072774428 /nfs/dbraw/zinc/77/44/28/1072774428.db2.gz HWDAOSYYUHGTTQ-PKDMSRIZSA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184481 1072776346 /nfs/dbraw/zinc/77/63/46/1072776346.db2.gz XMRNOIHFJBGWAJ-HMULSRIRSA-N 0 0 811.596 9.184 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184331 1072777029 /nfs/dbraw/zinc/77/70/29/1072777029.db2.gz GDXXSSUPAHKFQL-NRNSZXCESA-N 0 0 858.596 9.026 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184195 1072778018 /nfs/dbraw/zinc/77/80/18/1072778018.db2.gz FOLXKONLVVJZQC-JQELSTPGSA-N 0 0 732.302 8.629 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184116 1072778986 /nfs/dbraw/zinc/77/89/86/1072778986.db2.gz FGXRNGDBNXEKSF-MWXJPDCTSA-N 0 0 658.799 7.626 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409401728 1072779350 /nfs/dbraw/zinc/77/93/50/1072779350.db2.gz ZGURHVZSABMNIB-PKAZHMFMSA-N 0 0 508.534 5.043 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183882 1072779523 /nfs/dbraw/zinc/77/95/23/1072779523.db2.gz UMAIHUYOPBZPEG-LVUWTRSMSA-N 0 0 607.732 6.097 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409183957 1072779945 /nfs/dbraw/zinc/77/99/45/1072779945.db2.gz VGGFNAAHTFOONF-ZVBGSRNCSA-N 0 0 561.956 6.502 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184017 1072780410 /nfs/dbraw/zinc/78/04/10/1072780410.db2.gz DUPDOVMRQQYVEM-WMGYHRCKSA-N 0 0 791.584 10.272 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183601 1072781748 /nfs/dbraw/zinc/78/17/48/1072781748.db2.gz CFGNEFAUWSHFBW-FCOGMQIUSA-N 0 0 746.727 8.730 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183623 1072781763 /nfs/dbraw/zinc/78/17/63/1072781763.db2.gz CPTHNGYGFOGWTN-KRJBTMGSSA-N 0 0 785.135 9.214 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183643 1072782214 /nfs/dbraw/zinc/78/22/14/1072782214.db2.gz CSROITPLRUQCDB-DGWBYFALSA-N 0 0 949.649 9.267 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183660 1072782305 /nfs/dbraw/zinc/78/23/05/1072782305.db2.gz CVZMDQQWLZEFDQ-LWLLJNSYSA-N 0 0 605.760 6.867 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183123 1072786654 /nfs/dbraw/zinc/78/66/54/1072786654.db2.gz AHVAYDJIWFMOEV-QTRRDAAQSA-N 0 0 693.181 7.901 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409182783 1072787645 /nfs/dbraw/zinc/78/76/45/1072787645.db2.gz OHKAKOXWXHGGAF-UFFVCSGVSA-N 0 0 599.330 7.888 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182757 1072788440 /nfs/dbraw/zinc/78/84/40/1072788440.db2.gz NRDJVJFHGJVTGX-GAIQTTBWSA-N 0 0 672.763 7.556 40 10 KKCBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000409182575 1072788853 /nfs/dbraw/zinc/78/88/53/1072788853.db2.gz MPOQUJVHOKBCMH-XVXJOYMSSA-N 0 0 613.309 7.512 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182113 1072793341 /nfs/dbraw/zinc/79/33/41/1072793341.db2.gz IGNPBVLIYQXWML-CZUMTRSGSA-N 0 0 843.525 7.688 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409181864 1072794262 /nfs/dbraw/zinc/79/42/62/1072794262.db2.gz GEFKWUHBBYXIIG-FSJBWODESA-N 0 0 545.013 6.771 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409181299 1072798923 /nfs/dbraw/zinc/79/89/23/1072798923.db2.gz ARWHRDLSPCYAOY-FOKLQQMPSA-N 0 0 513.446 7.541 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409181206 1072799782 /nfs/dbraw/zinc/79/97/82/1072799782.db2.gz ZBWBNMDFLLCYEB-LSHDLFTRSA-N 0 0 598.983 8.003 40 10 KKCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409180488 1072804188 /nfs/dbraw/zinc/80/41/88/1072804188.db2.gz YHKUNGCBSRISQI-RWPZCVJISA-N 0 0 612.579 7.656 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409180256 1072804448 /nfs/dbraw/zinc/80/44/48/1072804448.db2.gz XKSZQSKYLKSGHR-OGLMXYFKSA-N 0 0 543.689 6.404 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179685 1072808791 /nfs/dbraw/zinc/80/87/91/1072808791.db2.gz UCBYSLBEHFUHAI-YVNNLAQVSA-N 0 0 595.051 5.878 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409179280 1072811048 /nfs/dbraw/zinc/81/10/48/1072811048.db2.gz QVPBHELJCZZNCF-FBHDLOMBSA-N 0 0 552.849 7.366 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409408362 1072816394 /nfs/dbraw/zinc/81/63/94/1072816394.db2.gz QABFOYRQCQERKQ-BKUYFWCQSA-N 0 0 507.384 5.197 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409178042 1072818852 /nfs/dbraw/zinc/81/88/52/1072818852.db2.gz IJOLQJKHYYDDEX-JFLMPSFJSA-N 0 0 550.076 8.016 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177504 1072822315 /nfs/dbraw/zinc/82/23/15/1072822315.db2.gz GEFPDJRHOBMKJK-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409197101 1072827554 /nfs/dbraw/zinc/82/75/54/1072827554.db2.gz VWDNPJPFCICGBI-ULJHMMPZSA-N 0 0 546.570 7.331 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409194496 1072843530 /nfs/dbraw/zinc/84/35/30/1072843530.db2.gz CLAXTVMLCHXKBU-WSDLNYQXSA-N 0 0 612.398 7.689 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409193925 1072847865 /nfs/dbraw/zinc/84/78/65/1072847865.db2.gz HYAUYYWFEGIIBF-DNTJNYDQSA-N 0 0 709.106 9.266 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409193613 1072849243 /nfs/dbraw/zinc/84/92/43/1072849243.db2.gz HWTLGDJEWQYTBH-KEBDBYFISA-N 0 0 558.391 6.464 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409193149 1072851169 /nfs/dbraw/zinc/85/11/69/1072851169.db2.gz CSFNJSLQNNVXLJ-SRZZPIQSSA-N 0 0 672.791 7.701 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409193176 1072851522 /nfs/dbraw/zinc/85/15/22/1072851522.db2.gz DQADXABMVBTNDA-JAIQZWGSSA-N 0 0 538.861 7.489 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409191670 1072860876 /nfs/dbraw/zinc/86/08/76/1072860876.db2.gz KIAJYKQZYYYPTC-JVWAILMASA-N 0 0 549.479 8.221 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409190463 1072868658 /nfs/dbraw/zinc/86/86/58/1072868658.db2.gz OAOXBGIYYUIQDV-JVWAILMASA-N 0 0 549.479 8.221 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409190441 1072871166 /nfs/dbraw/zinc/87/11/66/1072871166.db2.gz NKBABRIWYXUUPY-JVWAILMASA-N 0 0 593.930 8.330 40 10 KKCBRN O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1cccc(Br)c1 ZINC000409206614 1072891214 /nfs/dbraw/zinc/89/12/14/1072891214.db2.gz YJVKEMFMGNXVOF-RGVLZGJSSA-N 0 0 572.868 7.383 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(OCc2ccccc2)c1 ZINC000409206430 1072892387 /nfs/dbraw/zinc/89/23/87/1072892387.db2.gz JLORFTCZBSGVQX-TWKHWXDSSA-N 0 0 600.741 5.623 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409205874 1072895600 /nfs/dbraw/zinc/89/56/00/1072895600.db2.gz PZHLLMORMZXPIQ-VCHYOVAHSA-N 0 0 503.483 6.207 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S ZINC000409205910 1072895711 /nfs/dbraw/zinc/89/57/11/1072895711.db2.gz QVOIJKNEDTWSPE-MTJSOVHGSA-N 0 0 517.445 6.123 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409205753 1072896733 /nfs/dbraw/zinc/89/67/33/1072896733.db2.gz SYHLTHUGLNBZLZ-JFLMPSFJSA-N 0 0 544.623 8.267 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409205163 1072900999 /nfs/dbraw/zinc/90/09/99/1072900999.db2.gz FUCQGVOQTURBSJ-UDWIEESQSA-N 0 0 524.536 5.495 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409204704 1072903433 /nfs/dbraw/zinc/90/34/33/1072903433.db2.gz JMWNVASIQJLQKP-CIAFOILYSA-N 0 0 527.421 6.342 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409204397 1072905052 /nfs/dbraw/zinc/90/50/52/1072905052.db2.gz GRUVIIHEGLSBAV-CIAFOILYSA-N 0 0 533.900 6.637 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204043 1072906543 /nfs/dbraw/zinc/90/65/43/1072906543.db2.gz BZNBOVTUPTYOCC-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409200410 1072921832 /nfs/dbraw/zinc/92/18/32/1072921832.db2.gz RZAPEBCGCFQNHA-KSEXSDGBSA-N 0 0 557.550 5.559 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409199951 1072923787 /nfs/dbraw/zinc/92/37/87/1072923787.db2.gz GAAUMCGBJJPXJP-IPPBACCNSA-N 0 0 543.132 8.456 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409198842 1072927931 /nfs/dbraw/zinc/92/79/31/1072927931.db2.gz LSWJMJVIKOQNMR-SRZZPIQSSA-N 0 0 595.765 7.850 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1 ZINC000409198653 1072928382 /nfs/dbraw/zinc/92/83/82/1072928382.db2.gz CQDGTIYXWLDBCG-LPYMAVHISA-N 0 0 506.580 5.335 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1cccc(Br)c1 ZINC000409198699 1072928447 /nfs/dbraw/zinc/92/84/47/1072928447.db2.gz DBONGJYIYWCQER-VCHYOVAHSA-N 0 0 511.249 7.422 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409198548 1072929528 /nfs/dbraw/zinc/92/95/28/1072929528.db2.gz HTESKVPUTNRXLG-MFKUBSTISA-N 0 0 535.691 5.675 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000409198606 1072930087 /nfs/dbraw/zinc/93/00/87/1072930087.db2.gz ILXOJXNIGGEHRX-JVWAILMASA-N 0 0 511.071 7.902 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409198428 1072930514 /nfs/dbraw/zinc/93/05/14/1072930514.db2.gz ALRXEPBWMTUWSS-MFOYZWKCSA-N 0 0 542.860 5.459 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409198182 1072932369 /nfs/dbraw/zinc/93/23/69/1072932369.db2.gz ZEAOWCJSHPLNPW-MFKUBSTISA-N 0 0 532.484 7.587 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S ZINC000409198009 1072932845 /nfs/dbraw/zinc/93/28/45/1072932845.db2.gz UKEAOBRRFHVXOA-RGVLZGJSSA-N 0 0 511.003 6.170 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409197799 1072933330 /nfs/dbraw/zinc/93/33/30/1072933330.db2.gz PCUIAIHVJXIEQT-BKUYFWCQSA-N 0 0 562.488 5.631 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409197614 1072934238 /nfs/dbraw/zinc/93/42/38/1072934238.db2.gz KEJVIJZNUIOBFP-UFFVCSGVSA-N 0 0 611.417 7.583 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409197372 1072936086 /nfs/dbraw/zinc/93/60/86/1072936086.db2.gz DAXFCTMWYSPNKU-AUEPDCJTSA-N 0 0 522.560 5.317 40 10 KKCBRN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409197440 1072936517 /nfs/dbraw/zinc/93/65/17/1072936517.db2.gz FKVDJZJCVHBFRT-ZVHZXABRSA-N 0 0 525.482 7.433 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409209523 1072968599 /nfs/dbraw/zinc/96/85/99/1072968599.db2.gz CCXDMXUOOJKDSY-JFLMPSFJSA-N 0 0 549.479 8.221 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409226364 1072974144 /nfs/dbraw/zinc/97/41/44/1072974144.db2.gz NDJWXNOXZDOAGT-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)SC1=S ZINC000409225162 1072980247 /nfs/dbraw/zinc/98/02/47/1072980247.db2.gz JNCZTABIROVTTM-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409224903 1072980812 /nfs/dbraw/zinc/98/08/12/1072980812.db2.gz JCWDYGMNTVCKKU-MYKKPKGFSA-N 0 0 573.523 7.124 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(C)c1 ZINC000409224893 1072981834 /nfs/dbraw/zinc/98/18/34/1072981834.db2.gz IYXJXIJRSHWDJN-FMCGGJTJSA-N 0 0 557.524 7.342 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409224461 1072983999 /nfs/dbraw/zinc/98/39/99/1072983999.db2.gz HSGLVQPZTQBOQE-LQKURTRISA-N 0 0 547.051 7.702 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409223414 1072988764 /nfs/dbraw/zinc/98/87/64/1072988764.db2.gz ZKSBZWUYQRAOKB-MYYYXRDXSA-N 0 0 553.105 6.118 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1cccc(Cl)c1Cl ZINC000409223392 1072988828 /nfs/dbraw/zinc/98/88/28/1072988828.db2.gz FFXAHFWAVNZOHY-NDENLUEZSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409223398 1072988837 /nfs/dbraw/zinc/98/88/37/1072988837.db2.gz FQHFMPBICZGBAP-SPMKTWQFSA-N 0 0 561.125 5.699 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409223393 1072988887 /nfs/dbraw/zinc/98/88/87/1072988887.db2.gz FQHFMPBICZGBAP-FVHJOOJJSA-N 0 0 561.125 5.699 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409221759 1072996938 /nfs/dbraw/zinc/99/69/38/1072996938.db2.gz VCFYHLRRYLNXGW-WPWMEQJKSA-N 0 0 597.653 5.694 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409221492 1072999040 /nfs/dbraw/zinc/99/90/40/1072999040.db2.gz RBQKUQOYQSQHKS-WCMJOSRZSA-N 0 0 519.689 6.963 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1 ZINC000409221186 1073000496 /nfs/dbraw/zinc/00/04/96/1073000496.db2.gz MEVPNOOHELAMSR-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409220814 1073001946 /nfs/dbraw/zinc/00/19/46/1073001946.db2.gz GFHPCDVWZZXTQA-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409220872 1073002277 /nfs/dbraw/zinc/00/22/77/1073002277.db2.gz HEDRXFJYFFYHAK-UXHLAJHPSA-N 0 0 583.088 6.420 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409220791 1073003409 /nfs/dbraw/zinc/00/34/09/1073003409.db2.gz FWQZPRSCDZHNSJ-HAHDFKILSA-N 0 0 557.068 5.949 40 10 KKCBRN COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409220624 1073004311 /nfs/dbraw/zinc/00/43/11/1073004311.db2.gz CKIMXQQQQRVLMW-USHMODERSA-N 0 0 568.676 6.911 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000409220020 1073006494 /nfs/dbraw/zinc/00/64/94/1073006494.db2.gz XMYFJHCTJRIVPK-JJFYIABZSA-N 0 0 513.978 5.570 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409230078 1073016362 /nfs/dbraw/zinc/01/63/62/1073016362.db2.gz WXMGUOLRZKCPEL-AMVVHIIESA-N 0 0 583.729 7.376 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409229779 1073018284 /nfs/dbraw/zinc/01/82/84/1073018284.db2.gz UYMPXZKMQCHRNN-MOSHPQCFSA-N 0 0 565.511 5.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409229602 1073019165 /nfs/dbraw/zinc/01/91/65/1073019165.db2.gz RSXRNMPLVQRQLY-UUYOSTAYSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409229449 1073020203 /nfs/dbraw/zinc/02/02/03/1073020203.db2.gz PDKJRQWKMFSCLA-JLPGSUDCSA-N 0 0 583.529 5.919 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409229510 1073020253 /nfs/dbraw/zinc/02/02/53/1073020253.db2.gz QBHXCRKRCWMJPA-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409236852 1073036277 /nfs/dbraw/zinc/03/62/77/1073036277.db2.gz GHYCSELRADMWBW-QRVIBDJDSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)cc1 ZINC000409236340 1073039531 /nfs/dbraw/zinc/03/95/31/1073039531.db2.gz FGEMIXUVHOTPFJ-STBIYBPSSA-N 0 0 602.112 7.010 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409235834 1073042815 /nfs/dbraw/zinc/04/28/15/1073042815.db2.gz CHKNRAZOGNBDMA-WGARJPEWSA-N 0 0 567.132 7.087 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409235795 1073043002 /nfs/dbraw/zinc/04/30/02/1073043002.db2.gz QQYZIYKTINHAQZ-CTPANLQCSA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409235302 1073044675 /nfs/dbraw/zinc/04/46/75/1073044675.db2.gz ZNXRSXUTJSXLKZ-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409235233 1073046125 /nfs/dbraw/zinc/04/61/25/1073046125.db2.gz ZCVNIQXRWCYVGI-MYKKPKGFSA-N 0 0 588.538 6.491 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409235046 1073046428 /nfs/dbraw/zinc/04/64/28/1073046428.db2.gz ASNFLJXOIKECIK-QFEZKATASA-N 0 0 586.657 7.144 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1Br ZINC000409234881 1073047307 /nfs/dbraw/zinc/04/73/07/1073047307.db2.gz ADPPZXKOQMVVGV-YBFXNURJSA-N 0 0 506.397 5.109 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409234797 1073048204 /nfs/dbraw/zinc/04/82/04/1073048204.db2.gz YGUYZEMYYGXJBY-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409234550 1073048762 /nfs/dbraw/zinc/04/87/62/1073048762.db2.gz NQZWSCNSPGXCRC-FMCGGJTJSA-N 0 0 577.486 6.955 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409234430 1073049578 /nfs/dbraw/zinc/04/95/78/1073049578.db2.gz ZYRMCNMNBUCVQM-MYKKPKGFSA-N 0 0 589.522 6.824 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409234164 1073051580 /nfs/dbraw/zinc/05/15/80/1073051580.db2.gz MTVUHOMRAJLDKG-LQKURTRISA-N 0 0 555.631 6.487 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1 ZINC000409233676 1073053865 /nfs/dbraw/zinc/05/38/65/1073053865.db2.gz HEYDCVLZIIPPFG-OEAKJJBVSA-N 0 0 538.025 5.599 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409233538 1073054374 /nfs/dbraw/zinc/05/43/74/1073054374.db2.gz GFWZCGADMYYTRP-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409233356 1073056764 /nfs/dbraw/zinc/05/67/64/1073056764.db2.gz FUXAFQSAQGBGIT-RIWZNOJBSA-N 0 0 566.623 5.502 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409233148 1073057362 /nfs/dbraw/zinc/05/73/62/1073057362.db2.gz RANLAQHFJIZZGZ-NVMNQCDNSA-N 0 0 590.348 6.393 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C(F)(F)F)c3)SC2=S)cc1 ZINC000409232716 1073059638 /nfs/dbraw/zinc/05/96/38/1073059638.db2.gz BNHKIYMUZWHMEI-HAHDFKILSA-N 0 0 557.619 6.195 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409231196 1073066262 /nfs/dbraw/zinc/06/62/62/1073066262.db2.gz IQIFNJOFUCUTAP-UCQKPKSFSA-N 0 0 557.068 6.610 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409230765 1073067903 /nfs/dbraw/zinc/06/79/03/1073067903.db2.gz GGEWPVWVQPNAEG-ONUIUJJFSA-N 0 0 567.132 6.509 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409230879 1073068509 /nfs/dbraw/zinc/06/85/09/1073068509.db2.gz GXAKFLRZXNKBCR-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409230517 1073069387 /nfs/dbraw/zinc/06/93/87/1073069387.db2.gz ZAJODZIJAWKQON-XLFQKYORSA-N 0 0 573.523 6.982 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1 ZINC000409247023 1073072638 /nfs/dbraw/zinc/07/26/38/1073072638.db2.gz AUEPHNWKHNISRN-QRVIBDJDSA-N 0 0 558.512 6.483 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S ZINC000409246935 1073073907 /nfs/dbraw/zinc/07/39/07/1073073907.db2.gz LIDOXKFFTDNXON-ODLFYWEKSA-N 0 0 559.031 6.386 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409246790 1073075786 /nfs/dbraw/zinc/07/57/86/1073075786.db2.gz BFNBDEFFEVWKHA-XKZIYDEJSA-N 0 0 587.948 7.143 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409246405 1073077104 /nfs/dbraw/zinc/07/71/04/1073077104.db2.gz HYWFYZITTSCQGA-OKCVXOCRSA-N 0 0 617.533 7.074 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)SC1=S ZINC000409246230 1073077403 /nfs/dbraw/zinc/07/74/03/1073077403.db2.gz GUBNFHDVSSBGJW-HMAPJEAMSA-N 0 0 563.539 6.175 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409246262 1073077832 /nfs/dbraw/zinc/07/78/32/1073077832.db2.gz HGAUYSWKIHNNRZ-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1Cl ZINC000409246056 1073080001 /nfs/dbraw/zinc/08/00/01/1073080001.db2.gz DFGZOONWBVTVHP-MYKKPKGFSA-N 0 0 553.061 5.796 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2OCC)cc1 ZINC000409246008 1073080261 /nfs/dbraw/zinc/08/02/61/1073080261.db2.gz CKCPMGIIYRCCNY-IMRQLAEWSA-N 0 0 577.728 5.973 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409245876 1073081728 /nfs/dbraw/zinc/08/17/28/1073081728.db2.gz AGGREUBFWBXWSY-MTJSOVHGSA-N 0 0 579.021 6.791 40 10 KKCBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000409245625 1073083789 /nfs/dbraw/zinc/08/37/89/1073083789.db2.gz WSCIIGVKHWJELU-BEXDPUPVSA-N 0 0 567.530 6.737 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)SC1=S ZINC000409244972 1073085999 /nfs/dbraw/zinc/08/59/99/1073085999.db2.gz LMSKFMHSPWIRLY-NDENLUEZSA-N 0 0 583.957 6.438 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000409244878 1073087250 /nfs/dbraw/zinc/08/72/50/1073087250.db2.gz JZIOUMSAIBHTHJ-MYKKPKGFSA-N 0 0 553.061 5.796 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)SC1=S ZINC000409244336 1073088715 /nfs/dbraw/zinc/08/87/15/1073088715.db2.gz BELXUYAVQQLSCD-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409243788 1073091416 /nfs/dbraw/zinc/09/14/16/1073091416.db2.gz UHNHDVRTORTFFO-XKZIYDEJSA-N 0 0 573.465 6.020 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409243168 1073093709 /nfs/dbraw/zinc/09/37/09/1073093709.db2.gz ZLBDMNFJFIDUIZ-WWAUWJAYSA-N 0 0 581.159 7.335 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409242850 1073095895 /nfs/dbraw/zinc/09/58/95/1073095895.db2.gz WFFHTCPOUOLLIV-MTJSOVHGSA-N 0 0 555.505 5.647 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409242161 1073097915 /nfs/dbraw/zinc/09/79/15/1073097915.db2.gz NBPFHLYTRAFDLC-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409241895 1073098930 /nfs/dbraw/zinc/09/89/30/1073098930.db2.gz ZFURFHRVRKWIDO-PXNMLYILSA-N 0 0 572.300 5.035 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409240965 1073103704 /nfs/dbraw/zinc/10/37/04/1073103704.db2.gz MKWLTYZAUIHGNM-ZGWJWYQGSA-N 0 0 557.068 6.468 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409241043 1073104195 /nfs/dbraw/zinc/10/41/95/1073104195.db2.gz NAKAGYVEXUNBPX-XYGWBWBKSA-N 0 0 567.132 7.033 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409240912 1073105262 /nfs/dbraw/zinc/10/52/62/1073105262.db2.gz MDBNCEDWYNKNPD-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1C ZINC000409240958 1073105755 /nfs/dbraw/zinc/10/57/55/1073105755.db2.gz MJJARXUUSGKEMR-SSDVNMTOSA-N 0 0 530.433 6.085 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O ZINC000409240136 1073109897 /nfs/dbraw/zinc/10/98/97/1073109897.db2.gz RODMFMGTUWDHOD-WGOQTCKBSA-N 0 0 571.475 5.854 40 10 KKCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409239955 1073110769 /nfs/dbraw/zinc/11/07/69/1073110769.db2.gz IRQUVDXPPPXJHC-BUVRLJJBSA-N 0 0 528.996 5.191 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409240031 1073111445 /nfs/dbraw/zinc/11/14/45/1073111445.db2.gz JDPCHBANMXXQAA-MYKKPKGFSA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409239577 1073113420 /nfs/dbraw/zinc/11/34/20/1073113420.db2.gz HJIMMUMWYNHVFG-STZFKDTASA-N 0 0 565.511 5.103 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409239456 1073114522 /nfs/dbraw/zinc/11/45/22/1073114522.db2.gz MWISGMBYDSWZQN-MXAYSNPKSA-N 0 0 587.550 7.432 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409238658 1073118423 /nfs/dbraw/zinc/11/84/23/1073118423.db2.gz BELXSXBESRAZHA-JAIQZWGSSA-N 0 0 555.505 5.566 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409238440 1073120830 /nfs/dbraw/zinc/12/08/30/1073120830.db2.gz ABTIMKNVBQOLHZ-JAIQZWGSSA-N 0 0 549.512 5.702 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1 ZINC000409237434 1073127677 /nfs/dbraw/zinc/12/76/77/1073127677.db2.gz UMVRCQQBCSAASE-YDZHTSKRSA-N 0 0 521.570 5.085 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S ZINC000409251119 1073131286 /nfs/dbraw/zinc/13/12/86/1073131286.db2.gz ONHRNXOXZPXIRQ-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1C ZINC000409250494 1073134827 /nfs/dbraw/zinc/13/48/27/1073134827.db2.gz MMLUFQNRZMFLHQ-UHFFFAOYSA-N 0 0 614.485 7.211 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000409250440 1073136384 /nfs/dbraw/zinc/13/63/84/1073136384.db2.gz LRCOUVQMFHGVLR-CFRMEGHHSA-N 0 0 532.643 5.451 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409250015 1073137525 /nfs/dbraw/zinc/13/75/25/1073137525.db2.gz PHUMKDWOWHAMQT-HMAPJEAMSA-N 0 0 579.538 5.411 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409250023 1073137595 /nfs/dbraw/zinc/13/75/95/1073137595.db2.gz KZFVUCNLHIPTLO-GRSHGNNSSA-N 0 0 525.479 5.939 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409249039 1073144276 /nfs/dbraw/zinc/14/42/76/1073144276.db2.gz IESWEVOPHRFFGP-YSMPRRRNSA-N 0 0 582.147 6.536 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409248973 1073145895 /nfs/dbraw/zinc/14/58/95/1073145895.db2.gz MHABIMIMLDYGPO-CEUNXORHSA-N 0 0 582.703 7.219 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OC)cc1 ZINC000409248240 1073150442 /nfs/dbraw/zinc/15/04/42/1073150442.db2.gz CWVCIWRWIUVNEO-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000409257293 1073157435 /nfs/dbraw/zinc/15/74/35/1073157435.db2.gz NYMBVJBIFLQSCB-MTJSOVHGSA-N 0 0 515.443 6.417 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3)SC2=S)cc1C ZINC000409257113 1073158270 /nfs/dbraw/zinc/15/82/70/1073158270.db2.gz QOLDHIQBHXTOTP-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)SC2=S)cc1 ZINC000409256424 1073161816 /nfs/dbraw/zinc/16/18/16/1073161816.db2.gz LCOKZMWKRISXDF-UCQKPKSFSA-N 0 0 524.067 5.829 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409256230 1073162414 /nfs/dbraw/zinc/16/24/14/1073162414.db2.gz KIKKOVVLFSDGDZ-XHFXOGKZSA-N 0 0 523.079 6.628 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)SC1=S ZINC000409256082 1073163265 /nfs/dbraw/zinc/16/32/65/1073163265.db2.gz JOXXUQADYMSXKV-UKWGHVSLSA-N 0 0 541.478 5.257 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OC)c3)SC2=S)cc1 ZINC000409255933 1073164368 /nfs/dbraw/zinc/16/43/68/1073164368.db2.gz MJLHBRLIRJDBHE-QQXSKIMKSA-N 0 0 546.714 6.606 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409255954 1073165018 /nfs/dbraw/zinc/16/50/18/1073165018.db2.gz MRDGTJLOOLLSSZ-FDRCZSESSA-N 0 0 548.686 6.074 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409255680 1073166775 /nfs/dbraw/zinc/16/67/75/1073166775.db2.gz IJITZYKTDCZLSC-XKZIYDEJSA-N 0 0 512.559 5.397 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)SC1=S ZINC000409254706 1073170046 /nfs/dbraw/zinc/17/00/46/1073170046.db2.gz FLIRCMULRWAXKL-ODLFYWEKSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409254263 1073173618 /nfs/dbraw/zinc/17/36/18/1073173618.db2.gz YOZLYUFQKSBYRH-UHFFFAOYSA-N 0 0 668.544 7.066 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)c(C)c1 ZINC000409253805 1073179636 /nfs/dbraw/zinc/17/96/36/1073179636.db2.gz BZFQKSGABCCUDJ-XYGWBWBKSA-N 0 0 531.703 6.101 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000409253429 1073180735 /nfs/dbraw/zinc/18/07/35/1073180735.db2.gz BSMGDQJSUSVEOZ-BEXDPUPVSA-N 0 0 523.079 6.628 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409252939 1073183523 /nfs/dbraw/zinc/18/35/23/1073183523.db2.gz AATWFQUQUKHNFE-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c(C)c1 ZINC000409252732 1073185631 /nfs/dbraw/zinc/18/56/31/1073185631.db2.gz SLPSKXKYBPUSMY-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)c1 ZINC000409252774 1073186126 /nfs/dbraw/zinc/18/61/26/1073186126.db2.gz DQMMZZWZIHYHCZ-XKZIYDEJSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409252635 1073187023 /nfs/dbraw/zinc/18/70/23/1073187023.db2.gz TTYRIWHHDSKKGB-WMWHPZEKSA-N 0 0 571.095 6.858 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409251898 1073191406 /nfs/dbraw/zinc/19/14/06/1073191406.db2.gz QXEZLPZENKQCMM-OYKKKHCWSA-N 0 0 553.105 6.697 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409262954 1073195811 /nfs/dbraw/zinc/19/58/11/1073195811.db2.gz GIGQERWTMISYFL-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S ZINC000409267262 1073196103 /nfs/dbraw/zinc/19/61/03/1073196103.db2.gz UHPGRDHFNXQZJG-FHLSJSRISA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2OC)cc1 ZINC000409267241 1073197131 /nfs/dbraw/zinc/19/71/31/1073197131.db2.gz UFBAHXWBKCFYGI-QQXSKIMKSA-N 0 0 548.686 6.134 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409267041 1073198010 /nfs/dbraw/zinc/19/80/10/1073198010.db2.gz RRWNHVHIAMWWIL-QRVIBDJDSA-N 0 0 524.620 5.106 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(I)c1O ZINC000409267091 1073198432 /nfs/dbraw/zinc/19/84/32/1073198432.db2.gz LVFCQYBVAHLKAK-UEMWTREESA-N 0 0 511.406 5.358 40 10 KKCBRN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000001237532 1073199136 /nfs/dbraw/zinc/19/91/36/1073199136.db2.gz WZPBBRNJWLJDMV-QJOMJCCJSA-N 0 0 506.071 6.260 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000014920974 1073203561 /nfs/dbraw/zinc/20/35/61/1073203561.db2.gz GMGHFBZHJDPCPP-JLPGSUDCSA-N 0 0 511.003 5.258 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409266146 1073203582 /nfs/dbraw/zinc/20/35/82/1073203582.db2.gz JYSWKWKLVUPTJO-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCC3)C2=O)c1 ZINC000034367922 1073203595 /nfs/dbraw/zinc/20/35/95/1073203595.db2.gz YWQSJVCJKCCDDW-XIEYBQDHSA-N 0 0 503.693 6.862 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1 ZINC000409265714 1073205638 /nfs/dbraw/zinc/20/56/38/1073205638.db2.gz OCLYKYDHXNYBSK-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCCO2 ZINC000027526062 1073206597 /nfs/dbraw/zinc/20/65/97/1073206597.db2.gz DXCKODVWWRDERH-UNGCUCNDSA-N 0 0 504.484 5.571 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409265633 1073206827 /nfs/dbraw/zinc/20/68/27/1073206827.db2.gz UHUUKPHPBRINJA-PFHZTYADSA-N 0 0 523.463 5.391 40 10 KKCBRN CCc1cc(C)cc(CC)c1Nc1ccc(Nc2c(CC)cc(C)cc2CC)c2c1C(=O)c1ccccc1C2=O ZINC000031393461 1073207209 /nfs/dbraw/zinc/20/72/09/1073207209.db2.gz IBABXJRXGSAJLQ-UHFFFAOYSA-N 0 0 530.712 8.816 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409265472 1073207816 /nfs/dbraw/zinc/20/78/16/1073207816.db2.gz INMHVIRXNCKSLA-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c1 ZINC000033716477 1073207928 /nfs/dbraw/zinc/20/79/28/1073207928.db2.gz CKXXXDHDLIPKGZ-MSPRMREJSA-N 0 0 500.668 6.420 40 10 KKCBRN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000033903986 1073208254 /nfs/dbraw/zinc/20/82/54/1073208254.db2.gz QRHUWMDAXMMEJM-LFVJCYFKSA-N 0 0 501.633 6.323 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409264571 1073212037 /nfs/dbraw/zinc/21/20/37/1073212037.db2.gz MHJWGMMUNXSMCE-ZWXNIRCYSA-N 0 0 532.687 6.292 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409264196 1073213147 /nfs/dbraw/zinc/21/31/47/1073213147.db2.gz PQJHBTKEFOUDOR-MTJSOVHGSA-N 0 0 547.004 6.050 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409264241 1073213281 /nfs/dbraw/zinc/21/32/81/1073213281.db2.gz PYVIALVVGKNIMI-OYKKKHCWSA-N 0 0 522.648 5.714 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409263973 1073215123 /nfs/dbraw/zinc/21/51/23/1073215123.db2.gz DFLWZNXEPIVYCI-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409263593 1073216204 /nfs/dbraw/zinc/21/62/04/1073216204.db2.gz IBVXCIONSZYEIM-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409263839 1073216210 /nfs/dbraw/zinc/21/62/10/1073216210.db2.gz MVTGTCWLPGZTGO-UQQQWYQISA-N 0 0 518.660 5.465 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409263435 1073218507 /nfs/dbraw/zinc/21/85/07/1073218507.db2.gz MRHCWOFFNJQDAY-NVMNQCDNSA-N 0 0 511.452 5.549 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409263153 1073219940 /nfs/dbraw/zinc/21/99/40/1073219940.db2.gz APOIPBALKKMXJS-HPUZFYODSA-N 0 0 548.686 6.074 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2Cl)cc1 ZINC000409262058 1073223731 /nfs/dbraw/zinc/22/37/31/1073223731.db2.gz CHOFUIOMHRPBNS-IWIPYMOSSA-N 0 0 538.094 6.138 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)cc1 ZINC000409261929 1073224918 /nfs/dbraw/zinc/22/49/18/1073224918.db2.gz GAFNHIIDURRWIA-YVNNLAQVSA-N 0 0 545.469 6.425 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c1 ZINC000409261646 1073226548 /nfs/dbraw/zinc/22/65/48/1073226548.db2.gz CIABRBIIAGQHAD-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409261304 1073228005 /nfs/dbraw/zinc/22/80/05/1073228005.db2.gz CPVPURLPDUOHGK-OVZSPSEASA-N 0 0 532.687 6.374 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c1 ZINC000409261361 1073228480 /nfs/dbraw/zinc/22/84/80/1073228480.db2.gz ASNLSSYVMDHOKE-CFRMEGHHSA-N 0 0 518.616 5.143 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)SC2=S)c1 ZINC000409261112 1073228488 /nfs/dbraw/zinc/22/84/88/1073228488.db2.gz BGWAUERLBXPSLQ-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1 ZINC000409260895 1073231181 /nfs/dbraw/zinc/23/11/81/1073231181.db2.gz YFDNXGKXEAEKLS-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1C ZINC000409260708 1073231424 /nfs/dbraw/zinc/23/14/24/1073231424.db2.gz VAMSDMVDYMEQSV-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1 ZINC000409260734 1073231909 /nfs/dbraw/zinc/23/19/09/1073231909.db2.gz VNPMGFSMCQXSDR-QRVIBDJDSA-N 0 0 543.497 6.979 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409260786 1073232379 /nfs/dbraw/zinc/23/23/79/1073232379.db2.gz WJGFDBLUZRKYKG-YSMPRRRNSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1 ZINC000409260544 1073232768 /nfs/dbraw/zinc/23/27/68/1073232768.db2.gz RUVDAERBXWVZPZ-YVNNLAQVSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260663 1073233465 /nfs/dbraw/zinc/23/34/65/1073233465.db2.gz UHFFSFUIRNCLNA-UHFFFAOYSA-N 0 0 715.544 6.908 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409260401 1073233491 /nfs/dbraw/zinc/23/34/91/1073233491.db2.gz PVUAJEGVBCTULU-NOHZWYGJSA-N 0 0 523.463 5.391 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409260517 1073234153 /nfs/dbraw/zinc/23/41/53/1073234153.db2.gz RKHAGPQDYGXJNV-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409260262 1073234655 /nfs/dbraw/zinc/23/46/55/1073234655.db2.gz NLPGXYYJNYFSIL-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000409260335 1073234974 /nfs/dbraw/zinc/23/49/74/1073234974.db2.gz OWBVJKSFTMHFOW-HAHDFKILSA-N 0 0 524.067 5.829 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1C ZINC000409259768 1073238271 /nfs/dbraw/zinc/23/82/71/1073238271.db2.gz DZXNHTOTZGLDKM-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)c(C)c1 ZINC000409259196 1073241864 /nfs/dbraw/zinc/24/18/64/1073241864.db2.gz XXLQZOPAXVMNAN-QRVIBDJDSA-N 0 0 543.497 7.034 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1Cl ZINC000409258815 1073243084 /nfs/dbraw/zinc/24/30/84/1073243084.db2.gz XSINRGHDAQIELX-IWIPYMOSSA-N 0 0 523.079 6.110 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)SC1=S ZINC000409258777 1073243112 /nfs/dbraw/zinc/24/31/12/1073243112.db2.gz XPYGPYSDJGPQOU-UNOMPAQXSA-N 0 0 511.452 5.249 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409258297 1073247150 /nfs/dbraw/zinc/24/71/50/1073247150.db2.gz VYMFPIAWCMCHMM-UHFFFAOYSA-N 0 0 610.066 6.566 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409257541 1073251293 /nfs/dbraw/zinc/25/12/93/1073251293.db2.gz SQSCQDHTSUHIDB-ZDLGFXPLSA-N 0 0 535.485 5.279 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000409257566 1073251711 /nfs/dbraw/zinc/25/17/11/1073251711.db2.gz TUZRNFNZMGXNPQ-QFEZKATASA-N 0 0 532.643 5.397 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409272715 1073253029 /nfs/dbraw/zinc/25/30/29/1073253029.db2.gz RTUIVVIIGYBUFF-XYGWBWBKSA-N 0 0 536.650 6.210 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2Cl)c(C)c1 ZINC000409271541 1073262225 /nfs/dbraw/zinc/26/22/25/1073262225.db2.gz MJWFILSSKXXRFP-QFEZKATASA-N 0 0 537.106 6.997 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(OCc2ccccc2)c1 ZINC000409271360 1073264160 /nfs/dbraw/zinc/26/41/60/1073264160.db2.gz BUIGDGLPJSUZRA-WPWMEQJKSA-N 0 0 545.661 5.795 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000409271236 1073264755 /nfs/dbraw/zinc/26/47/55/1073264755.db2.gz KVXNTBIZFTWKTB-YLRSXTQRSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409270840 1073267305 /nfs/dbraw/zinc/26/73/05/1073267305.db2.gz IDDDSXVBRDRLRJ-MYYYXRDXSA-N 0 0 536.650 6.265 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409270401 1073270966 /nfs/dbraw/zinc/27/09/66/1073270966.db2.gz FKGNXECIMYARQJ-IUXPMGMMSA-N 0 0 541.876 5.268 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000409270204 1073271841 /nfs/dbraw/zinc/27/18/41/1073271841.db2.gz DCDFXEBQRWSWBF-XKZIYDEJSA-N 0 0 545.469 6.425 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409269728 1073274938 /nfs/dbraw/zinc/27/49/38/1073274938.db2.gz MDUOIIOQJOMWPI-UHFFFAOYSA-N 0 0 630.882 6.703 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409269606 1073275666 /nfs/dbraw/zinc/27/56/66/1073275666.db2.gz KQRWRMQJPYVLJJ-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409269513 1073276439 /nfs/dbraw/zinc/27/64/39/1073276439.db2.gz JYIMGJJCISGHHG-XKZIYDEJSA-N 0 0 543.066 6.059 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409268964 1073281611 /nfs/dbraw/zinc/28/16/11/1073281611.db2.gz BZSHKMWUWYDXGI-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409268842 1073282526 /nfs/dbraw/zinc/28/25/26/1073282526.db2.gz BKVPJZKSRLOQKG-XKZIYDEJSA-N 0 0 529.014 5.911 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1 ZINC000409268634 1073283245 /nfs/dbraw/zinc/28/32/45/1073283245.db2.gz WWMGHKQABSJOKP-OYKKKHCWSA-N 0 0 523.079 6.634 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409268265 1073284321 /nfs/dbraw/zinc/28/43/21/1073284321.db2.gz YSNDVVDZYSMFFR-FBHDLOMBSA-N 0 0 549.457 6.014 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409268346 1073284813 /nfs/dbraw/zinc/28/48/13/1073284813.db2.gz ZDFSYUSZTWVAPD-UHFFFAOYSA-N 0 0 640.490 6.367 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)SC1=S ZINC000409268130 1073285118 /nfs/dbraw/zinc/28/51/18/1073285118.db2.gz QDOWUJAHYYBFHG-UNOMPAQXSA-N 0 0 519.486 5.695 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409267691 1073287811 /nfs/dbraw/zinc/28/78/11/1073287811.db2.gz XCXUZNZXXIJROI-OYKKKHCWSA-N 0 0 539.078 6.389 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)SC2=S)c1 ZINC000409267440 1073289531 /nfs/dbraw/zinc/28/95/31/1073289531.db2.gz UUHBEETXBMBUKK-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409274717 1073307111 /nfs/dbraw/zinc/30/71/11/1073307111.db2.gz WZXAHYLLPWFGCS-YVNNLAQVSA-N 0 0 519.837 6.974 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409274102 1073314619 /nfs/dbraw/zinc/31/46/19/1073314619.db2.gz VMDKTXABQZTYJY-MYYYXRDXSA-N 0 0 546.605 5.699 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2OC)cc1 ZINC000409273554 1073318945 /nfs/dbraw/zinc/31/89/45/1073318945.db2.gz ZBFBPWGHCBMKFL-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409273488 1073319348 /nfs/dbraw/zinc/31/93/48/1073319348.db2.gz YLNYPBFXNQFJLH-OCKHKDLRSA-N 0 0 525.479 5.938 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000409273347 1073334460 /nfs/dbraw/zinc/33/44/60/1073334460.db2.gz XMNARAKNGULVCI-IWIPYMOSSA-N 0 0 523.079 6.110 40 10 KKCBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059398082 193896703 /nfs/dbraw/zinc/89/67/03/193896703.db2.gz NNRAEFCSIGBPQI-JZRSNSPKSA-N 0 0 500.514 5.887 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225531452 193966104 /nfs/dbraw/zinc/96/61/04/193966104.db2.gz LXYAZXAMSVASMY-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225548053 193978220 /nfs/dbraw/zinc/97/82/20/193978220.db2.gz OVKSSQPUDLSJKD-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409050739 195500657 /nfs/dbraw/zinc/50/06/57/195500657.db2.gz ZDNRSQNBBQKVTP-CHHVJCJISA-N 0 0 661.175 7.200 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409230787 195504874 /nfs/dbraw/zinc/50/48/74/195504874.db2.gz GNVSSZNKWKOIQG-XYGWBWBKSA-N 0 0 553.105 6.118 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000409232049 195508789 /nfs/dbraw/zinc/50/87/89/195508789.db2.gz NPTZGYASXISZCQ-JLPGSUDCSA-N 0 0 569.104 6.561 40 10 KKCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1cccc(I)c1 ZINC000000924844 551578040 /nfs/dbraw/zinc/57/80/40/551578040.db2.gz VFXAKOKIWUTMOB-LJQANCHMSA-N 0 0 519.408 5.065 40 10 KKCBRN COc1cc(Br)c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000001090770 551606991 /nfs/dbraw/zinc/60/69/91/551606991.db2.gz MEPNYTVEJWCVKG-UHFFFAOYSA-N 0 0 507.340 5.050 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CSc3ncnc4sc5c(c43)CC[C@H](C(C)(C)C)C5)CC2)cc1 ZINC000001223131 551628456 /nfs/dbraw/zinc/62/84/56/551628456.db2.gz LFAQFMWEMQCSOE-SFHVURJKSA-N 0 0 510.729 5.292 40 10 KKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000001421591 551668541 /nfs/dbraw/zinc/66/85/41/551668541.db2.gz YZHFWQYHQJBERD-HMAPJEAMSA-N 0 0 545.846 5.622 40 10 KKCBRN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc31)C2 ZINC000001799146 551703293 /nfs/dbraw/zinc/70/32/93/551703293.db2.gz FLSPKZMMXYJVNO-ACSYHNTCSA-N 0 0 565.533 7.452 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002375679 552106414 /nfs/dbraw/zinc/10/64/14/552106414.db2.gz LJEQGQSJOBHWSY-FRKPEAEDSA-N 0 0 506.263 6.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000003772434 552417933 /nfs/dbraw/zinc/41/79/33/552417933.db2.gz KWHXAQLBUHIJRP-IMUCPKNRSA-N 0 0 594.712 5.006 40 10 KKCBRN O=C(Nc1cccc2c1C(=O)c1cccc(Nc3cccc4c3C(=O)c3cccc(NC(=O)c5ccccc5)c3C4=O)c1C2=O)c1ccccc1 ZINC000004366767 552458437 /nfs/dbraw/zinc/45/84/37/552458437.db2.gz INRJLKFJRQCGOR-UHFFFAOYSA-N 0 0 667.677 7.486 40 10 KKCBRN CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2Cl)c2cccc3ccccc32)c(Cl)c1 ZINC000004523068 552462881 /nfs/dbraw/zinc/46/28/81/552462881.db2.gz ZPVBUXFPXWGJLF-UHFFFAOYSA-N 0 0 505.533 9.019 40 10 KKCBRN Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000005723339 552507702 /nfs/dbraw/zinc/50/77/02/552507702.db2.gz INWATODZILKANX-XAHDOWKMSA-N 0 0 534.019 8.263 40 10 KKCBRN CC[C@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006134588 552537941 /nfs/dbraw/zinc/53/79/41/552537941.db2.gz XMGDKMAHOQSAMV-NRUKRWIHSA-N 0 0 582.749 5.471 40 10 KKCBRN COc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)c1 ZINC000006443158 552585331 /nfs/dbraw/zinc/58/53/31/552585331.db2.gz YTZFVUGEJPNXHS-UHFFFAOYSA-N 0 0 518.614 5.684 40 10 KKCBRN O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006475302 552593326 /nfs/dbraw/zinc/59/33/26/552593326.db2.gz XPMQSZXZTMMBMR-VBOOUTDYSA-N 0 0 506.518 6.735 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006545055 552598058 /nfs/dbraw/zinc/59/80/58/552598058.db2.gz LWNRQWGVDBMIKG-VSQRRKBNSA-N 0 0 617.727 5.602 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1 ZINC000008819091 553153719 /nfs/dbraw/zinc/15/37/19/553153719.db2.gz QLMIKVHQMWVCFF-MFOYZWKCSA-N 0 0 500.951 5.597 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)c1 ZINC000008819206 553154047 /nfs/dbraw/zinc/15/40/47/553154047.db2.gz JVSSQJLCUURLOK-JCMHNJIXSA-N 0 0 523.705 5.671 40 10 KKCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1=O ZINC000008819333 553154050 /nfs/dbraw/zinc/15/40/50/553154050.db2.gz KUFOPBSMLKYMNM-STZFKDTASA-N 0 0 509.678 5.281 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)sc2c1CCCC2 ZINC000008819260 553154051 /nfs/dbraw/zinc/15/40/51/553154051.db2.gz QOZWVNWBNZLKOP-QGOAFFKASA-N 0 0 518.657 5.173 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1OC ZINC000008819469 553154222 /nfs/dbraw/zinc/15/42/22/553154222.db2.gz AUZXXATWJJTQAW-BWAHOGKJSA-N 0 0 518.660 5.991 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000008819534 553154241 /nfs/dbraw/zinc/15/42/41/553154241.db2.gz AMJKBLNEVITXLD-PDGQHHTCSA-N 0 0 508.543 5.112 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000008819942 553154609 /nfs/dbraw/zinc/15/46/09/553154609.db2.gz DOHMEFIGFGCDRK-QNGOZBTKSA-N 0 0 515.613 5.012 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc2ccccc21 ZINC000008820005 553154959 /nfs/dbraw/zinc/15/49/59/553154959.db2.gz OXTRKQYAEBZQON-JLPGSUDCSA-N 0 0 504.633 5.969 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000008820152 553155050 /nfs/dbraw/zinc/15/50/50/553155050.db2.gz HKLUMKUMVBQAFR-GRSHGNNSSA-N 0 0 513.899 7.047 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000008820164 553155145 /nfs/dbraw/zinc/15/51/45/553155145.db2.gz HFRZVLYSMVOLII-PLRJNAJWSA-N 0 0 521.107 7.407 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000008820491 553155389 /nfs/dbraw/zinc/15/53/89/553155389.db2.gz MBQDCGQCRGXUAT-DURWOYGOSA-N 0 0 511.883 6.823 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000008820170 553155416 /nfs/dbraw/zinc/15/54/16/553155416.db2.gz MFVIEJUBIHLBHB-QQTULTPQSA-N 0 0 527.155 6.583 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000008820190 553155440 /nfs/dbraw/zinc/15/54/40/553155440.db2.gz AYBPTGRFUBLLMA-XKZIYDEJSA-N 0 0 503.133 6.187 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N(CCO)Cc1ccccc1 ZINC000008820204 553155443 /nfs/dbraw/zinc/15/54/43/553155443.db2.gz YSTFDIKDBHCNEA-XLNRJJMWSA-N 0 0 503.089 5.123 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1 ZINC000008821524 553155818 /nfs/dbraw/zinc/15/58/18/553155818.db2.gz VCXWDYWCIWVGHH-FYJGNVAPSA-N 0 0 500.985 5.961 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1OC ZINC000008821343 553155822 /nfs/dbraw/zinc/15/58/22/553155822.db2.gz OKQNVPMVUMXRSO-ONUIUJJFSA-N 0 0 505.661 6.035 40 10 KKCBRN COc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821779 553156075 /nfs/dbraw/zinc/15/60/75/553156075.db2.gz DPRNJPBZGAWXQA-OYKKKHCWSA-N 0 0 507.999 5.968 40 10 KKCBRN CCOc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821787 553156119 /nfs/dbraw/zinc/15/61/19/553156119.db2.gz XWGPFYDGLXULBQ-MYYYXRDXSA-N 0 0 522.026 6.359 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C5CCCCC5)cc4)cc3)C2=N)S1 ZINC000008915951 553186547 /nfs/dbraw/zinc/18/65/47/553186547.db2.gz IGORQPAOACUALS-VIFXODNGSA-N 0 0 502.640 6.221 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009089641 553209153 /nfs/dbraw/zinc/20/91/53/553209153.db2.gz VUHGSGNHBQHHQV-MPFGFTFXSA-N 0 0 515.996 6.656 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000009188555 553218046 /nfs/dbraw/zinc/21/80/46/553218046.db2.gz IAPGYRSIHUMJJM-UUYOSTAYSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000009553517 553278481 /nfs/dbraw/zinc/27/84/81/553278481.db2.gz WRMJFKRXCQHCCS-JYRCBYNQSA-N 0 0 513.019 5.472 40 10 KKCBRN CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010113110 553328743 /nfs/dbraw/zinc/32/87/43/553328743.db2.gz LTPSDRGWDBZPBZ-UHFFFAOYSA-N 0 0 505.684 5.312 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2C)cc1 ZINC000010113125 553328764 /nfs/dbraw/zinc/32/87/64/553328764.db2.gz TXMVZYBSUWEQPU-UHFFFAOYSA-N 0 0 505.684 5.114 40 10 KKCBRN O=C1N=C(N2CCN(C3=NC(=O)/C(=C\C=C\c4ccccc4)S3)CC2)S/C1=C/C=C/c1ccccc1 ZINC000012032271 553350247 /nfs/dbraw/zinc/35/02/47/553350247.db2.gz LUHXOWOOPFIIGJ-QMWDUTMASA-N 0 0 512.660 5.057 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000012411769 553363791 /nfs/dbraw/zinc/36/37/91/553363791.db2.gz PUPFZYBRXNAWID-FLIPHLSNSA-N 0 0 510.678 6.665 40 10 biogenic,in-vitro KKCBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000013025053 553435380 /nfs/dbraw/zinc/43/53/80/553435380.db2.gz NPVKXUZWCLMIFQ-SANMLTNESA-N 0 0 508.018 5.217 40 10 KKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000013667985 553480924 /nfs/dbraw/zinc/48/09/24/553480924.db2.gz LCPHCVNSVWTYHX-LJAQVGFWSA-N 0 0 520.098 6.035 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000015188532 553528717 /nfs/dbraw/zinc/52/87/17/553528717.db2.gz UWNLHBXOOUFOLP-HAVVHWLPSA-N 0 0 506.514 6.503 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000015227651 553529325 /nfs/dbraw/zinc/52/93/25/553529325.db2.gz LLKMPYHAMJOQNM-GLGSTRKCSA-N 0 0 510.442 5.586 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000015231382 553530066 /nfs/dbraw/zinc/53/00/66/553530066.db2.gz IPGFTXOFQVWBDH-RGEXLXHISA-N 0 0 514.931 6.644 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccccc1NC=C1C(=S)N(c2ccccc2)N=C1C ZINC000016161054 553555690 /nfs/dbraw/zinc/55/56/90/553555690.db2.gz OEQYHPQKAPFKHS-BOYKQRMESA-N 0 0 508.676 6.725 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)SC2=S)cc1 ZINC000016292272 553559014 /nfs/dbraw/zinc/55/90/14/553559014.db2.gz DCBUMXXRKZTIEX-QRVIBDJDSA-N 0 0 500.472 7.282 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4I)ccc3o2)cc1 ZINC000016678616 553571913 /nfs/dbraw/zinc/57/19/13/553571913.db2.gz SUXVZRGFQYXLGY-UHFFFAOYSA-N 0 0 511.363 6.198 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000016687890 553572715 /nfs/dbraw/zinc/57/27/15/553572715.db2.gz KFKBXGRBANQBAZ-PTGBLXJZSA-N 0 0 506.514 6.503 40 10 KKCBRN CN(C1=NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2cccc3ccccc32)S1)c1ccc(O)cc1 ZINC000016754477 553581015 /nfs/dbraw/zinc/58/10/15/553581015.db2.gz JDDNUGNENXJOAL-QQXSKIMKSA-N 0 0 511.559 6.139 40 10 KKCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(/C=C(/c3ccccc3)[S@@](=O)Cc3ccccc3)C2=O)cc1 ZINC000017223295 553590898 /nfs/dbraw/zinc/59/08/98/553590898.db2.gz LPMKRNYJQBZTKX-LVTVHGGVSA-N 0 0 518.685 5.794 40 10 KKCBRN COc1ccc(/N=N\C(=S)NNc2ccc(OC)cc2Oc2ccccc2)c(Oc2ccccc2)c1 ZINC000017379549 553595426 /nfs/dbraw/zinc/59/54/26/553595426.db2.gz GHEJTGRGOXTKBR-YCNYHXFESA-N 0 0 500.580 7.274 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C1=O ZINC000095346114 553700774 /nfs/dbraw/zinc/70/07/74/553700774.db2.gz SWMUVSSUYHLGER-FKBYEOEOSA-N 0 0 513.775 5.168 40 10 KKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000025396228 553808107 /nfs/dbraw/zinc/80/81/07/553808107.db2.gz QBSKZRHMSFDGPF-JEIPZWNWSA-N 0 0 516.601 7.366 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000026680993 553820089 /nfs/dbraw/zinc/82/00/89/553820089.db2.gz MJQYTUIYMJQIHH-AWMDUDEPSA-N 0 0 509.031 6.127 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000026712462 553820565 /nfs/dbraw/zinc/82/05/65/553820565.db2.gz GTDAYUSGJXDHNA-BSMJIXEWSA-N 0 0 506.628 5.517 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000097957854 553849102 /nfs/dbraw/zinc/84/91/02/553849102.db2.gz WTILACZESPOTLS-IDOIIYJESA-N 0 0 534.682 6.332 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000097958707 553857086 /nfs/dbraw/zinc/85/70/86/553857086.db2.gz DCDSXHJRTSCBHA-COMMJETJSA-N 0 0 632.524 6.300 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCSc4ccc(Cl)cc4)c(OC)c3)C2=N)S1 ZINC000032109380 553862841 /nfs/dbraw/zinc/86/28/41/553862841.db2.gz QCJJAECLTAUCQF-SZRLJQQQSA-N 0 0 501.033 5.549 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000032109421 553862888 /nfs/dbraw/zinc/86/28/88/553862888.db2.gz VARZXUYHBKNYQX-SREDRKHISA-N 0 0 515.060 5.795 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000032109358 553862929 /nfs/dbraw/zinc/86/29/29/553862929.db2.gz VWNJZGYIJQLCKJ-KXOHBXMWSA-N 0 0 505.383 5.099 40 10 KKCBRN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2OC)cc1 ZINC000097961917 553881732 /nfs/dbraw/zinc/88/17/32/553881732.db2.gz RSMHFLFKJZVLTN-IRHXORNUSA-N 0 0 598.725 6.651 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000097964297 553896875 /nfs/dbraw/zinc/89/68/75/553896875.db2.gz OLPXXQURXNABJE-UFJYTUNVSA-N 0 0 532.673 6.375 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000097964293 553896893 /nfs/dbraw/zinc/89/68/93/553896893.db2.gz UGJQHXYNDZVBSW-QJSMOPQASA-N 0 0 532.025 5.689 40 10 KKCBRN O=C1N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN2C(=O)/C1=C/c1cc(Cc2ccccc2Cl)ccc1O ZINC000097964296 553896949 /nfs/dbraw/zinc/89/69/49/553896949.db2.gz PIJNZNZKQXFFDS-WSDLNYQXSA-N 0 0 532.065 6.021 40 10 KKCBRN N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CCCCC4)nn23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964289 553896958 /nfs/dbraw/zinc/89/69/58/553896958.db2.gz IVPWUMBNCOMDLR-PUZXQIETSA-N 0 0 538.662 5.568 40 10 KKCBRN COC(=O)C1=C(C)N2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=N)S1 ZINC000097964294 553896961 /nfs/dbraw/zinc/89/69/61/553896961.db2.gz OPNHSQRDXNINTC-QHMQWLFDSA-N 0 0 532.405 5.291 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000097964328 553897232 /nfs/dbraw/zinc/89/72/32/553897232.db2.gz PWZIHVKEJSHJSI-DNDPOFFESA-N 0 0 539.057 6.006 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000097964320 553897237 /nfs/dbraw/zinc/89/72/37/553897237.db2.gz GEPSIIGZUIWVSW-BVXHZEBHSA-N 0 0 562.570 5.050 40 10 KKCBRN CC(C)(c1ccccc1)c1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2Cl)cc1 ZINC000097964329 553897254 /nfs/dbraw/zinc/89/72/54/553897254.db2.gz BGCNLYGANOSVOG-POPNGZOSSA-N 0 0 661.655 8.977 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c2ccccc2n1CCOc1ccc(C2CCCCC2)cc1 ZINC000097964672 553899823 /nfs/dbraw/zinc/89/98/23/553899823.db2.gz YTFLDHQTUYNNIH-ZQFKEAADSA-N 0 0 567.759 7.742 40 10 KKCBRN COc1ccc(CC2=NN3C(=NC(=O)/C(=C\c4cn(Cc5ccc(C)cc5)c5ccccc45)C3=N)S2)cc1OC ZINC000097964697 553900076 /nfs/dbraw/zinc/90/00/76/553900076.db2.gz LSCZBLKVWJEIIP-VTPCMQHDSA-N 0 0 549.656 5.877 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cccc(OC)c1 ZINC000097964679 553900149 /nfs/dbraw/zinc/90/01/49/553900149.db2.gz ITSUPBUWHBUESS-HHTSZTKCSA-N 0 0 543.045 5.480 40 10 KKCBRN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000097964800 553900892 /nfs/dbraw/zinc/90/08/92/553900892.db2.gz XTNDSHZCXIQLME-NFIDDJMPSA-N 0 0 534.645 5.790 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000097964895 553901527 /nfs/dbraw/zinc/90/15/27/553901527.db2.gz YPVMAUGSMQTZEI-SFBLSSAZSA-N 0 0 568.102 6.966 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097964900 553901555 /nfs/dbraw/zinc/90/15/55/553901555.db2.gz TZZOUKBSFQPJLL-VDLSEFRISA-N 0 0 577.710 6.932 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C(CC)CC)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097964986 553902204 /nfs/dbraw/zinc/90/22/04/553902204.db2.gz WCMCHWXLEIUJIV-GTPVNSMRSA-N 0 0 562.736 6.896 40 10 KKCBRN S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000033406472 553958917 /nfs/dbraw/zinc/95/89/17/553958917.db2.gz HUYGZHMJYXPCAC-UHFFFAOYSA-N 0 0 500.631 6.003 40 10 KKCBRN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097979021 553975834 /nfs/dbraw/zinc/97/58/34/553975834.db2.gz OZPNMHNOVKEJTM-ULIFNZDWSA-N 0 0 526.021 7.185 40 10 KKCBRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097979851 553983060 /nfs/dbraw/zinc/98/30/60/553983060.db2.gz XGBLEXSTYDNJHA-ULIFNZDWSA-N 0 0 526.021 7.185 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COc2cccc4ccccc42)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979969 553983886 /nfs/dbraw/zinc/98/38/86/553983886.db2.gz MLSCMJTXUQHZHN-SIXVCGLBSA-N 0 0 558.726 7.174 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1Cc1ccccc1 ZINC000100054613 554195703 /nfs/dbraw/zinc/19/57/03/554195703.db2.gz SKTQGERIRFXTRV-WGOQTCKBSA-N 0 0 546.511 7.583 40 10 KKCBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000100084314 554208164 /nfs/dbraw/zinc/20/81/64/554208164.db2.gz GTIPJNRNDKZBBR-UHFFFAOYSA-N 0 0 569.727 6.011 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c(Br)c1 ZINC000100111867 554221773 /nfs/dbraw/zinc/22/17/73/554221773.db2.gz TWAZIEDXFRZLBG-YBFXNURJSA-N 0 0 524.383 7.442 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000100182556 554242049 /nfs/dbraw/zinc/24/20/49/554242049.db2.gz DPDNIDWEFUNGSA-NLRVBDNBSA-N 0 0 613.508 7.682 40 10 KKCBRN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1 ZINC000100191888 554244882 /nfs/dbraw/zinc/24/48/82/554244882.db2.gz HRTWEGCWSQNSGE-ZHZULCJRSA-N 0 0 551.267 8.796 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100217400 554250922 /nfs/dbraw/zinc/25/09/22/554250922.db2.gz VBHMJXIMWPFSCG-PKYOQBLNSA-N 0 0 590.145 5.646 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000100220195 554251503 /nfs/dbraw/zinc/25/15/03/554251503.db2.gz ZVRZPRRHLMSAHL-LFVJCYFKSA-N 0 0 585.454 6.901 40 10 KKCBRN CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000100220199 554251789 /nfs/dbraw/zinc/25/17/89/554251789.db2.gz GIGCTMOROBKFPS-LFVJCYFKSA-N 0 0 585.454 6.901 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100230638 554256450 /nfs/dbraw/zinc/25/64/50/554256450.db2.gz PQNHFZVNAOFULL-HYARGMPZSA-N 0 0 555.450 5.730 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000100231405 554256922 /nfs/dbraw/zinc/25/69/22/554256922.db2.gz VAYJUFCCEAWWER-YZSQISJMSA-N 0 0 532.086 7.877 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000100241539 554260511 /nfs/dbraw/zinc/26/05/11/554260511.db2.gz VJCDFWHJQYMOCJ-OEAKJJBVSA-N 0 0 590.948 7.495 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)SC2=S)cc1 ZINC000100241575 554260573 /nfs/dbraw/zinc/26/05/73/554260573.db2.gz ZNEDJLHUUZOXHK-LFVJCYFKSA-N 0 0 570.530 7.231 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100267161 554267514 /nfs/dbraw/zinc/26/75/14/554267514.db2.gz SUPGAIOGUWYZLK-HSVRYATOSA-N 0 0 557.470 5.643 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O[C@H](C)c1ccccc1 ZINC000100268859 554268553 /nfs/dbraw/zinc/26/85/53/554268553.db2.gz RUUPMNOWWGCNIB-GJQHCVRFSA-N 0 0 554.531 7.389 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000100275966 554272468 /nfs/dbraw/zinc/27/24/68/554272468.db2.gz ZBKSEDCYNLBJOV-UCQKPKSFSA-N 0 0 551.426 6.197 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000100276559 554273619 /nfs/dbraw/zinc/27/36/19/554273619.db2.gz DNVCJWRAMBMFJW-JLPGSUDCSA-N 0 0 531.008 5.539 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000100277482 554275253 /nfs/dbraw/zinc/27/52/53/554275253.db2.gz LFYIKWDMTZFVAU-YZSQISJMSA-N 0 0 537.597 6.528 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000100291569 554284319 /nfs/dbraw/zinc/28/43/19/554284319.db2.gz ACFTXIVYJZYWFA-BUVRLJJBSA-N 0 0 548.495 6.950 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000040942102 554291667 /nfs/dbraw/zinc/29/16/67/554291667.db2.gz ZEHVAGDNZQKFQK-UUASQNMZSA-N 0 0 505.242 5.832 40 10 KKCBRN CCCc1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 ZINC000041074301 554291966 /nfs/dbraw/zinc/29/19/66/554291966.db2.gz SLNDXFBCALXFGN-SDQAEVJQSA-N 0 0 510.648 6.023 40 10 KKCBRN CCc1cccc(OCCn2c(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3cc(C)ccc32)c1 ZINC000041078004 554293689 /nfs/dbraw/zinc/29/36/89/554293689.db2.gz NHAQXJWTFLTBJS-USHMODERSA-N 0 0 512.700 7.305 40 10 KKCBRN Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4Cl)=CSC3=NC2=O)cc1 ZINC000041083622 554293926 /nfs/dbraw/zinc/29/39/26/554293926.db2.gz QVNCZFPEJSJCME-KUMDLULQSA-N 0 0 516.022 6.410 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21 ZINC000041083285 554293936 /nfs/dbraw/zinc/29/39/36/554293936.db2.gz OWMSJGGPZHIPJT-DXOHPECXSA-N 0 0 513.667 6.509 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041108145 554295273 /nfs/dbraw/zinc/29/52/73/554295273.db2.gz DRJPQKCKRAALKM-ZKZDLDBDSA-N 0 0 501.524 5.229 40 10 KKCBRN CCSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=N)N12 ZINC000041108465 554295612 /nfs/dbraw/zinc/29/56/12/554295612.db2.gz LHQVKDCMAHXKNY-LUNMECBOSA-N 0 0 504.037 5.095 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccccc1Cl ZINC000100320018 554304470 /nfs/dbraw/zinc/30/44/70/554304470.db2.gz KRWVGNPLAFENBN-RGVLZGJSSA-N 0 0 558.799 6.822 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100319993 554304543 /nfs/dbraw/zinc/30/45/43/554304543.db2.gz PTQIHPUWDWKXIW-DJKKODMXSA-N 0 0 546.244 7.633 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100323364 554307199 /nfs/dbraw/zinc/30/71/99/554307199.db2.gz PMJJJYHETUCTIG-FSJBWODESA-N 0 0 584.557 6.985 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000100323503 554307267 /nfs/dbraw/zinc/30/72/67/554307267.db2.gz UMJKMTKQNFQHOR-PCLIKHOPSA-N 0 0 609.510 7.438 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100323630 554307491 /nfs/dbraw/zinc/30/74/91/554307491.db2.gz YSOQHROFRCZUSQ-XKZIYDEJSA-N 0 0 560.922 7.092 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cccc3ccccc32)cc1 ZINC000100329737 554311788 /nfs/dbraw/zinc/31/17/88/554311788.db2.gz XYDCBYKGJMXEFS-SSEXGKCCSA-N 0 0 579.730 5.454 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc3c(c2)OCCO3)cc1 ZINC000100332800 554315404 /nfs/dbraw/zinc/31/54/04/554315404.db2.gz CWZVZJCPNFKBMX-XIFFEERXSA-N 0 0 566.702 5.771 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100341438 554325993 /nfs/dbraw/zinc/32/59/93/554325993.db2.gz GODVSOJUFGMYRS-MTDXEUNCSA-N 0 0 526.683 6.899 40 10 KKCBRN O=C1C=CC(=NNc2ccc(Br)cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(Br)cc2)=C1 ZINC000100367820 554354235 /nfs/dbraw/zinc/35/42/35/554354235.db2.gz JUUDOIBHBBFUAA-FLNHXEDSSA-N 0 0 580.240 9.869 40 10 KKCBRN O=C1C=CC(=NNc2ccc(Br)cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(Br)cc2)=C1 ZINC000100367810 554354242 /nfs/dbraw/zinc/35/42/42/554354242.db2.gz JUUDOIBHBBFUAA-SIUMXTCRSA-N 0 0 580.240 9.869 40 10 KKCBRN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000100368230 554354422 /nfs/dbraw/zinc/35/44/22/554354422.db2.gz WHEULKVZHKLPFV-RGVLZGJSSA-N 0 0 530.008 6.713 40 10 KKCBRN O=C1/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000100368235 554354452 /nfs/dbraw/zinc/35/44/52/554354452.db2.gz DANRBPIWFNJQBD-PXNMLYILSA-N 0 0 531.862 5.501 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369732 554355926 /nfs/dbraw/zinc/35/59/26/554355926.db2.gz VZQQVFGURGARMX-SRZZPIQSSA-N 0 0 533.483 7.767 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(I)ccc4Cl)ccc3o2)cc1 ZINC000100381435 554363479 /nfs/dbraw/zinc/36/34/79/554363479.db2.gz JHAJJGOHQWYTKS-UHFFFAOYSA-N 0 0 604.901 6.726 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Br)cc(Br)c4OC)ccc3o2)cc1 ZINC000100381535 554363582 /nfs/dbraw/zinc/36/35/82/554363582.db2.gz OGBKMLJCRADFNJ-UHFFFAOYSA-N 0 0 573.285 7.127 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000058822270 554365278 /nfs/dbraw/zinc/36/52/78/554365278.db2.gz MLAZBIUKBSGIKW-PCLIKHOPSA-N 0 0 518.059 7.487 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000058822267 554365353 /nfs/dbraw/zinc/36/53/53/554365353.db2.gz DNXOILGYVXZOKW-HYARGMPZSA-N 0 0 516.471 7.377 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847731 554367033 /nfs/dbraw/zinc/36/70/33/554367033.db2.gz JKNVHWGRYWOSKM-LZCXECNNSA-N 0 0 515.462 7.019 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847792 554367066 /nfs/dbraw/zinc/36/70/66/554367066.db2.gz RHNWCUZWXZEGAW-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058847852 554367260 /nfs/dbraw/zinc/36/72/60/554367260.db2.gz VJHJNUZLNGPGAX-DFIYOIEZSA-N 0 0 501.435 6.629 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058847976 554367268 /nfs/dbraw/zinc/36/72/68/554367268.db2.gz LWVBYILXDZIFTK-SXDGJLEOSA-N 0 0 509.071 7.063 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847843 554367494 /nfs/dbraw/zinc/36/74/94/554367494.db2.gz LPCPJYIOKJACRB-YZUZCNPQSA-N 0 0 505.854 7.274 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848398 554367993 /nfs/dbraw/zinc/36/79/93/554367993.db2.gz XRPMDYYNHDWLON-GLDPYIMESA-N 0 0 515.513 6.241 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849824 554369431 /nfs/dbraw/zinc/36/94/31/554369431.db2.gz VTUDBPZJUZBTQK-ASHZAFPQSA-N 0 0 521.595 5.548 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849827 554369507 /nfs/dbraw/zinc/36/95/07/554369507.db2.gz LLHXBODGFGQGCA-CTVOUCONSA-N 0 0 502.680 6.928 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850033 554369697 /nfs/dbraw/zinc/36/96/97/554369697.db2.gz KJQPXVXNBHAUKA-CLCZQPDDSA-N 0 0 505.596 6.009 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000058865942 554370795 /nfs/dbraw/zinc/37/07/95/554370795.db2.gz DEZSZMPHNDSBOP-UHFFFAOYSA-N 0 0 512.183 6.089 40 10 KKCBRN CCc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000058992846 554371611 /nfs/dbraw/zinc/37/16/11/554371611.db2.gz CEOATTOXKIGBMY-CLYRCMFSSA-N 0 0 534.645 5.735 40 10 KKCBRN Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1C ZINC000058993189 554371623 /nfs/dbraw/zinc/37/16/23/554371623.db2.gz UBYMWKBSCIHRAV-NFIDDJMPSA-N 0 0 534.645 5.790 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000100415388 554381567 /nfs/dbraw/zinc/38/15/67/554381567.db2.gz IYQTVQXGMVBYEC-NJYVYQBISA-N 0 0 525.866 5.054 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059138835 554382509 /nfs/dbraw/zinc/38/25/09/554382509.db2.gz TVDWIZGFXMWQKV-MTDXEUNCSA-N 0 0 523.564 5.821 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059138975 554382614 /nfs/dbraw/zinc/38/26/14/554382614.db2.gz FMSBHXKIRGTGRG-VUTHCHCSSA-N 0 0 503.602 6.603 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059138978 554382568 /nfs/dbraw/zinc/38/25/68/554382568.db2.gz ROFRLAZTUQHBEX-VUTHCHCSSA-N 0 0 503.602 6.603 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000059139008 554382804 /nfs/dbraw/zinc/38/28/04/554382804.db2.gz BDHYRUWYEOFKNC-WGOQTCKBSA-N 0 0 519.557 5.715 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000059138979 554382877 /nfs/dbraw/zinc/38/28/77/554382877.db2.gz QHWZXFHLJKIPFX-ZTKZIYFRSA-N 0 0 518.617 6.052 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000059139006 554382873 /nfs/dbraw/zinc/38/28/73/554382873.db2.gz WRHAVYBUCFVMDG-NJZRLIGZSA-N 0 0 525.608 7.139 40 10 KKCBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)o2)c1 ZINC000059179727 554383870 /nfs/dbraw/zinc/38/38/70/554383870.db2.gz KQSZYHZLHYCNQR-QVIHXGFCSA-N 0 0 501.612 7.227 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC1=S ZINC000059192390 554384159 /nfs/dbraw/zinc/38/41/59/554384159.db2.gz YCRNBVOFJORHJH-MFOYZWKCSA-N 0 0 503.270 6.556 40 10 KKCBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059398077 554393153 /nfs/dbraw/zinc/39/31/53/554393153.db2.gz NNRAEFCSIGBPQI-JLLTVJOWSA-N 0 0 500.514 5.887 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000059396431 554393169 /nfs/dbraw/zinc/39/31/69/554393169.db2.gz PRILIYRFJNUYFA-LGUFXXKBSA-N 0 0 519.688 6.856 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000059418164 554393823 /nfs/dbraw/zinc/39/38/23/554393823.db2.gz MJRJMDMTRFKDSJ-DEDYPNTBSA-N 0 0 503.523 6.548 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000059459828 554396229 /nfs/dbraw/zinc/39/62/29/554396229.db2.gz OYVMLSNRCHIQDA-UUYOSTAYSA-N 0 0 507.549 6.318 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2O)SC(=S)N1Cc1ccccc1 ZINC000100456023 554396663 /nfs/dbraw/zinc/39/66/63/554396663.db2.gz GQBQDWREMLAFRS-AUWJEWJLSA-N 0 0 579.222 5.003 40 10 KKCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@@H]32)cc1 ZINC000100516928 554408997 /nfs/dbraw/zinc/40/89/97/554408997.db2.gz ZJXSZRZUIHMEJF-HZFUHODCSA-N 0 0 513.549 5.357 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059609036 554411865 /nfs/dbraw/zinc/41/18/65/554411865.db2.gz ACUVCEIACNXFRC-QFEZKATASA-N 0 0 544.525 7.681 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000059609016 554411877 /nfs/dbraw/zinc/41/18/77/554411877.db2.gz JIWZPXSAMHXLEY-OYKKKHCWSA-N 0 0 556.503 6.447 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000059609063 554412235 /nfs/dbraw/zinc/41/22/35/554412235.db2.gz QYDKKFZNGOIQDA-MYYYXRDXSA-N 0 0 570.530 6.837 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100634990 554435497 /nfs/dbraw/zinc/43/54/97/554435497.db2.gz OVBFUOZKUTWIPE-HKBOAZHASA-N 0 0 525.866 5.054 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCCCC2)=NC1=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000100661987 554439340 /nfs/dbraw/zinc/43/93/40/554439340.db2.gz UUDWLWBGBVPVAE-UNICEJHHSA-N 0 0 561.534 8.176 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000059959314 554484484 /nfs/dbraw/zinc/48/44/84/554484484.db2.gz BJVLEIHJNOPAGH-IWIPYMOSSA-N 0 0 504.380 5.905 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000100912547 554518267 /nfs/dbraw/zinc/51/82/67/554518267.db2.gz MBJMFOWCZRNAME-DIBXZPPDSA-N 0 0 625.794 5.322 40 10 KKCBRN CCOc1cc(Br)c(Br)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1O ZINC000100921148 554521293 /nfs/dbraw/zinc/52/12/93/554521293.db2.gz FMJQKXHHVPQMGI-UHFFFAOYSA-N 0 0 602.304 6.064 40 10 KKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000100931023 554527288 /nfs/dbraw/zinc/52/72/88/554527288.db2.gz BDWUXYJOUMTGLR-FHNKLNMBSA-N 0 0 624.745 8.150 40 10 KKCBRN CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000067665108 554533212 /nfs/dbraw/zinc/53/32/12/554533212.db2.gz YPJNBOZLRNFTJN-NHZFLZHXSA-N 0 0 691.620 5.187 40 10 in-vitro KKCBRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000067665105 554533294 /nfs/dbraw/zinc/53/32/94/554533294.db2.gz JAKXPLQZZCVGBG-NHZFLZHXSA-N 0 0 691.620 5.016 40 10 in-vitro KKCBRN COc1ccc(-n2[n-]c(C)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2=O)cc1 ZINC000100962708 554542712 /nfs/dbraw/zinc/54/27/12/554542712.db2.gz ORJWKQPPXFXTGT-VYYCAZPPSA-N 0 0 552.631 5.029 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4scc(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)cc1 ZINC000100982554 554547960 /nfs/dbraw/zinc/54/79/60/554547960.db2.gz CVGNFRSCCAGCNT-UHFFFAOYSA-N 0 0 619.768 7.673 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1Br ZINC000101002081 554552655 /nfs/dbraw/zinc/55/26/55/554552655.db2.gz UQTYHNZKLHHSQG-WJDWOHSUSA-N 0 0 526.275 5.442 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NC3CCCC3)C2=O)SC1=S)NC1CCCC1 ZINC000101002495 554553094 /nfs/dbraw/zinc/55/30/94/554553094.db2.gz FYUOYONRGWDZBF-WCWDXBQESA-N 0 0 624.920 5.157 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1OC ZINC000101005568 554553744 /nfs/dbraw/zinc/55/37/44/554553744.db2.gz SSIPUCKOMBNBMO-OCKHKDLRSA-N 0 0 545.897 6.284 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1OC ZINC000101005681 554553750 /nfs/dbraw/zinc/55/37/50/554553750.db2.gz BBBWKTHJDBKMQM-HMAPJEAMSA-N 0 0 574.149 6.025 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000101005598 554553787 /nfs/dbraw/zinc/55/37/87/554553787.db2.gz ULOWYWPYKGTCGA-QJOMJCCJSA-N 0 0 542.679 5.281 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101006188 554554224 /nfs/dbraw/zinc/55/42/24/554554224.db2.gz LLXINVQNYKVWKX-MTJSOVHGSA-N 0 0 558.106 5.736 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000101006722 554554313 /nfs/dbraw/zinc/55/43/13/554554313.db2.gz SPNMBTQWKLNXNV-HKWRFOASSA-N 0 0 543.736 5.135 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000101006709 554554359 /nfs/dbraw/zinc/55/43/59/554554359.db2.gz RYBNMRGOCNJZLN-HAHDFKILSA-N 0 0 572.177 6.796 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000101006801 554554395 /nfs/dbraw/zinc/55/43/95/554554395.db2.gz JZBTWPQVDGAKSO-BKUYFWCQSA-N 0 0 539.506 6.411 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000101006827 554554576 /nfs/dbraw/zinc/55/45/76/554554576.db2.gz LMZWUSSSMZSMLL-PLRJNAJWSA-N 0 0 570.733 6.061 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)sc2c1CCCC2 ZINC000101006875 554554581 /nfs/dbraw/zinc/55/45/81/554554581.db2.gz XJIKALGMYIOFGV-QJOMJCCJSA-N 0 0 602.800 6.221 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000101007010 554554803 /nfs/dbraw/zinc/55/48/03/554554803.db2.gz DVEIGGLCHNEMAT-XHPQRKPJSA-N 0 0 536.719 5.658 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(I)cc1 ZINC000101006994 554554806 /nfs/dbraw/zinc/55/48/06/554554806.db2.gz SJOKEFKENFHWGK-MOSHPQCFSA-N 0 0 580.469 5.420 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101007032 554554834 /nfs/dbraw/zinc/55/48/34/554554834.db2.gz JZVMRONCGJWHEY-UCQKPKSFSA-N 0 0 586.160 6.516 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101007105 554554950 /nfs/dbraw/zinc/55/49/50/554554950.db2.gz POEJQHYVOCXCNR-ZHZULCJRSA-N 0 0 536.597 5.892 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007318 554555195 /nfs/dbraw/zinc/55/51/95/554555195.db2.gz KNIVQIAKVVRXJB-JCMHNJIXSA-N 0 0 610.148 7.806 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000101007259 554555248 /nfs/dbraw/zinc/55/52/48/554555248.db2.gz DELOCJSRQXWCLX-GRSHGNNSSA-N 0 0 548.344 7.701 40 10 KKCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007388 554555457 /nfs/dbraw/zinc/55/54/57/554555457.db2.gz ZJBQNMFQWJBOQW-CXUHLZMHSA-N 0 0 525.624 5.654 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101007708 554555697 /nfs/dbraw/zinc/55/56/97/554555697.db2.gz NJPYMUYZHHPWOW-LUIQNUNFSA-N 0 0 573.687 6.929 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101007705 554555705 /nfs/dbraw/zinc/55/57/05/554555705.db2.gz MNBSSMHXTBGETL-ZLBXDVNXSA-N 0 0 540.135 6.564 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000101007788 554555921 /nfs/dbraw/zinc/55/59/21/554555921.db2.gz HABSBRKWUJRWPX-MFRPZORVSA-N 0 0 532.691 5.051 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000101007878 554555949 /nfs/dbraw/zinc/55/59/49/554555949.db2.gz GETGEYKWUGXMCX-BHWJBJQPSA-N 0 0 526.108 6.174 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(I)c1 ZINC000101008275 554556547 /nfs/dbraw/zinc/55/65/47/554556547.db2.gz CBLXEXXFDOKIJH-GZTJUZNOSA-N 0 0 542.851 5.565 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)c(OC)c1 ZINC000101011556 554558048 /nfs/dbraw/zinc/55/80/48/554558048.db2.gz VPLAHCXXIGZOIY-CFRMEGHHSA-N 0 0 528.051 6.351 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1 ZINC000101011551 554558092 /nfs/dbraw/zinc/55/80/92/554558092.db2.gz OPNSYNSDGPYHIB-XYGWBWBKSA-N 0 0 526.079 6.380 40 10 KKCBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1OC ZINC000101011654 554558287 /nfs/dbraw/zinc/55/82/87/554558287.db2.gz JIDNLADWHXJCQE-LPYMAVHISA-N 0 0 520.459 6.715 40 10 KKCBRN CCCOC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCCC)c4)C3=O)SC2=S)c1 ZINC000101017008 554560829 /nfs/dbraw/zinc/56/08/29/554560829.db2.gz LQACFKUQJMFEHB-FMQUCBEESA-N 0 0 586.738 5.461 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000101071318 554575467 /nfs/dbraw/zinc/57/54/67/554575467.db2.gz XLWUNNRUYSBFHX-LSMIHOHGSA-N 0 0 561.435 6.254 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000101088059 554581134 /nfs/dbraw/zinc/58/11/34/554581134.db2.gz LBWPRLVAFPMZMI-NUGSKGIGSA-N 0 0 547.891 8.195 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000101093539 554583581 /nfs/dbraw/zinc/58/35/81/554583581.db2.gz IHUCJHPXEJOGFV-OEAKJJBVSA-N 0 0 531.099 6.290 40 10 KKCBRN CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000101532373 554795010 /nfs/dbraw/zinc/79/50/10/554795010.db2.gz QSDBOQPEOSEXPB-ZHZULCJRSA-N 0 0 524.802 5.926 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c(Br)c(Br)c1OCc1ccccc1 ZINC000101536171 554795443 /nfs/dbraw/zinc/79/54/43/554795443.db2.gz KCQXLWWNCQUQNM-FYJGNVAPSA-N 0 0 570.281 6.914 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)NC1CCCCC1 ZINC000101550080 554796433 /nfs/dbraw/zinc/79/64/33/554796433.db2.gz XKSKRRBGRHWKPD-JMIUGGIZSA-N 0 0 541.533 5.143 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101654528 554818616 /nfs/dbraw/zinc/81/86/16/554818616.db2.gz OVBFUOZKUTWIPE-NJYVYQBISA-N 0 0 525.866 5.054 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000101743548 554834276 /nfs/dbraw/zinc/83/42/76/554834276.db2.gz CQYBDDMXUSZYIO-STZFKDTASA-N 0 0 555.475 5.583 40 10 KKCBRN CCC(C)(C)c1ccc(OCCCCNC(=O)C2=CC(=NNc3ccccc3C(C)=O)c3ccccc3C2=O)c(C(C)(C)CC)c1 ZINC000102315694 554911625 /nfs/dbraw/zinc/91/16/25/554911625.db2.gz KONWYIUWNVFTHQ-WQVHNPAPSA-N 0 0 621.822 10.128 40 10 KKCBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000102463821 554935486 /nfs/dbraw/zinc/93/54/86/554935486.db2.gz USLCLTFOHLMBGV-UQJNUVEPSA-N 0 0 529.453 5.033 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1OCCSc1ccccc1 ZINC000102464923 554935706 /nfs/dbraw/zinc/93/57/06/554935706.db2.gz GNSSWYHBOAUCJE-ZABLMZMLSA-N 0 0 545.661 6.700 40 10 KKCBRN CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5Cl)=CSC4=NC3=O)cc2OC)cc1 ZINC000102464764 554935744 /nfs/dbraw/zinc/93/57/44/554935744.db2.gz GMNXTBHFZUQWEL-KPZKNLNMSA-N 0 0 574.102 7.063 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102552612 554962767 /nfs/dbraw/zinc/96/27/67/554962767.db2.gz BRAMNYTZUZGZFO-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)c1ccccc1 ZINC000102866613 555096075 /nfs/dbraw/zinc/09/60/75/555096075.db2.gz TUAFMTOXWOQTQN-IDZRBWSNSA-N 0 0 564.468 7.618 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000102867471 555096971 /nfs/dbraw/zinc/09/69/71/555096971.db2.gz GLPAZNJHLYOPHG-IDZRBWSNSA-N 0 0 580.467 7.318 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102891332 555127051 /nfs/dbraw/zinc/12/70/51/555127051.db2.gz WLJXMGCCAKOXMH-NGDRWEMDSA-N 0 0 590.473 6.774 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102891410 555127061 /nfs/dbraw/zinc/12/70/61/555127061.db2.gz PFDFOMFRJAVKCA-SSBOKUKZSA-N 0 0 551.976 6.935 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102894373 555132220 /nfs/dbraw/zinc/13/22/20/555132220.db2.gz JXARGLCDPATYJW-AYQJTBPPSA-N 0 0 560.049 6.973 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102894426 555132544 /nfs/dbraw/zinc/13/25/44/555132544.db2.gz YNGCDUIEZYSJGY-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102897203 555137552 /nfs/dbraw/zinc/13/75/52/555137552.db2.gz ZWCJBOSXMCIJKY-DYIKCSJPSA-N 0 0 608.463 6.913 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4cccc(Br)c4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102942512 555170438 /nfs/dbraw/zinc/17/04/38/555170438.db2.gz ZGZLCRNXPVHORU-RIUZKRKCSA-N 0 0 625.636 6.377 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103527004 555428680 /nfs/dbraw/zinc/42/86/80/555428680.db2.gz UKCWSWHQUOFYDN-JGBIIJINSA-N 0 0 592.651 6.568 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103527427 555429062 /nfs/dbraw/zinc/42/90/62/555429062.db2.gz DWHMVVAOWJOJBL-JGBIIJINSA-N 0 0 592.651 6.568 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103533028 555433270 /nfs/dbraw/zinc/43/32/70/555433270.db2.gz DWOHIBAWTQWGFQ-NGDRWEMDSA-N 0 0 529.567 6.151 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103539664 555437761 /nfs/dbraw/zinc/43/77/61/555437761.db2.gz LDBNYVGOHLMBLS-CHQNGUEUSA-N 0 0 590.075 6.982 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103541267 555438296 /nfs/dbraw/zinc/43/82/96/555438296.db2.gz CGJABXVVKWJQAL-RKVFUFCESA-N 0 0 562.710 6.482 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545067 555440011 /nfs/dbraw/zinc/44/00/11/555440011.db2.gz VJWPAUHYKSNSLW-LUYUGSQRSA-N 0 0 550.611 5.012 40 10 KKCBRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000103547920 555441993 /nfs/dbraw/zinc/44/19/93/555441993.db2.gz SZNRUMYDPKRDJJ-JCYYIGJDSA-N 0 0 576.996 5.809 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccc(C)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103549689 555442652 /nfs/dbraw/zinc/44/26/52/555442652.db2.gz DJTGGKUGYJNHOD-CEUYOYMZSA-N 0 0 569.657 6.719 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103553451 555445079 /nfs/dbraw/zinc/44/50/79/555445079.db2.gz PQRJZFYVDSNPFA-JFHPUIQFSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000103605984 555454895 /nfs/dbraw/zinc/45/48/95/555454895.db2.gz POOIXWTWKQHHGE-PXSLILGDSA-N 0 0 553.489 5.400 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000103610620 555455699 /nfs/dbraw/zinc/45/56/99/555455699.db2.gz DCZZJXQRSZUCFO-NHDPSOOVSA-N 0 0 549.376 7.297 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103750800 555467577 /nfs/dbraw/zinc/46/75/77/555467577.db2.gz SEAZJRLXZSCDKS-FQKMCRJQSA-N 0 0 624.532 5.116 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC ZINC000103759013 555470755 /nfs/dbraw/zinc/47/07/55/555470755.db2.gz QHCRNQCRCKEDTK-UHFFFAOYSA-N 0 0 535.394 5.667 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000103759018 555470816 /nfs/dbraw/zinc/47/08/16/555470816.db2.gz LRRAOTUARXZPTC-UHFFFAOYSA-N 0 0 582.394 5.509 40 10 KKCBRN CCOc1c(Br)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000103760382 555471127 /nfs/dbraw/zinc/47/11/27/555471127.db2.gz BYMYSLOPDXOUAU-UHFFFAOYSA-N 0 0 565.489 6.222 40 10 KKCBRN CC1(C)OC(=O)C(=Cc2ccc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000103767272 555473695 /nfs/dbraw/zinc/47/36/95/555473695.db2.gz WKALQYRRZBVDRQ-UHFFFAOYSA-N 0 0 558.572 5.125 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)cc1 ZINC000103785283 555477430 /nfs/dbraw/zinc/47/74/30/555477430.db2.gz RFPBEZDNLNHGPQ-HTNWYMAZSA-N 0 0 600.788 6.713 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789752 555479380 /nfs/dbraw/zinc/47/93/80/555479380.db2.gz FHZULQKUERIAPK-LAUBZIAYSA-N 0 0 539.701 5.329 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789758 555479389 /nfs/dbraw/zinc/47/93/89/555479389.db2.gz FHZULQKUERIAPK-HDFSHUSISA-N 0 0 539.701 5.329 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789961 555479554 /nfs/dbraw/zinc/47/95/54/555479554.db2.gz XGKJRSASRWGOOR-MRWVFDTMSA-N 0 0 567.755 5.946 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(I)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000103843902 571362822 /nfs/dbraw/zinc/36/28/22/571362822.db2.gz GFQWRCFYFVDPEY-WQRHYEAKSA-N 0 0 607.267 6.012 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(I)cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855422 571365996 /nfs/dbraw/zinc/36/59/96/571365996.db2.gz BIUIWHJOJPWXTE-JJIBRWJFSA-N 0 0 574.374 6.443 40 10 KKCBRN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000103855169 571366019 /nfs/dbraw/zinc/36/60/19/571366019.db2.gz OBTAAGUWJRANGW-OVVQPSECSA-N 0 0 581.694 6.841 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855417 571366049 /nfs/dbraw/zinc/36/60/49/571366049.db2.gz IYZMMKFNGZBRKY-XQNSMLJCSA-N 0 0 527.920 6.400 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000103855283 571366052 /nfs/dbraw/zinc/36/60/52/571366052.db2.gz VMUBSNSBSVNJQF-STKMKYKTSA-N 0 0 616.117 8.218 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)c1 ZINC000103855484 571366054 /nfs/dbraw/zinc/36/60/54/571366054.db2.gz RYPHGLRHYALTQM-JJIBRWJFSA-N 0 0 540.959 6.278 40 10 KKCBRN CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(C)C1=S ZINC000103855708 571366091 /nfs/dbraw/zinc/36/60/91/571366091.db2.gz HPOODZLQCJPRCL-UHFFFAOYSA-N 0 0 556.485 6.173 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856142 571366104 /nfs/dbraw/zinc/36/61/04/571366104.db2.gz NCAACKUWHBGXFE-UHFFFAOYSA-N 0 0 603.130 5.152 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N(C)C1=S ZINC000103856242 571366135 /nfs/dbraw/zinc/36/61/35/571366135.db2.gz GIPQLTUNEZEPLJ-UHFFFAOYSA-N 0 0 558.679 5.043 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000103857211 571366423 /nfs/dbraw/zinc/36/64/23/571366423.db2.gz HVWGAJMOYVUZRR-UHFFFAOYSA-N 0 0 558.281 5.332 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000103858224 571366447 /nfs/dbraw/zinc/36/64/47/571366447.db2.gz WENRHNQAGACPPO-FYJGNVAPSA-N 0 0 600.263 5.856 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000103857206 571366458 /nfs/dbraw/zinc/36/64/58/571366458.db2.gz VSDBXSXGSJEEAK-UHFFFAOYSA-N 0 0 558.281 5.332 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000103865400 571367964 /nfs/dbraw/zinc/36/79/64/571367964.db2.gz PLEYRCKNYPSOGW-ACHQHTMYSA-N 0 0 602.760 5.907 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(N3CCCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103867970 571368105 /nfs/dbraw/zinc/36/81/05/571368105.db2.gz QSAOZQCVGRAVIU-UHFFFAOYSA-N 0 0 522.424 5.391 40 10 KKCBRN Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)c1 ZINC000103875217 571368397 /nfs/dbraw/zinc/36/83/97/571368397.db2.gz VKQLRSOXJFEALO-LICLKQGHSA-N 0 0 517.788 5.822 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000103913603 571369526 /nfs/dbraw/zinc/36/95/26/571369526.db2.gz SEYJAVGCRARXRN-NBQDTTAVSA-N 0 0 566.101 6.519 40 10 KKCBRN COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccc(OC)cc4)N=C3c3ccc(OC)cc3)cc2)cc1 ZINC000103921491 571369850 /nfs/dbraw/zinc/36/98/50/571369850.db2.gz SUYGWYCNEINDOT-OFWBYEQRSA-N 0 0 534.616 6.593 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104014037 571371248 /nfs/dbraw/zinc/37/12/48/571371248.db2.gz ZSKQRGYTTDJTRU-MZMMNKLXSA-N 0 0 572.617 5.518 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104096174 571373656 /nfs/dbraw/zinc/37/36/56/571373656.db2.gz GPLGNKOHHFDARS-GTWTZERXSA-N 0 0 573.646 5.639 40 10 KKCBRN COc1ccccc1NN=c1c2nc3ccccc3nc1n(-c1ccccc1OC)c(=S)n2-c1ccccc1C ZINC000104180574 571376093 /nfs/dbraw/zinc/37/60/93/571376093.db2.gz ORLOCBLRGSDJFB-KNWKATPGSA-N 0 0 546.656 7.732 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccccc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104645494 571381775 /nfs/dbraw/zinc/38/17/75/571381775.db2.gz FWLFHXMKGUIUSX-WTNLLYQRSA-N 0 0 553.640 6.801 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104646292 571381925 /nfs/dbraw/zinc/38/19/25/571381925.db2.gz INFUMTOVMWOZLK-HEHLMWRFSA-N 0 0 538.669 6.998 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5ccccc5F)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646470 571381945 /nfs/dbraw/zinc/38/19/45/571381945.db2.gz AFJANYZHISGXKA-ADRXYBOHSA-N 0 0 571.630 6.940 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646335 571381990 /nfs/dbraw/zinc/38/19/90/571381990.db2.gz IYEUZSAJZOKRBO-PYYUSEHKSA-N 0 0 568.695 7.007 40 10 KKCBRN CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647163 571382038 /nfs/dbraw/zinc/38/20/38/571382038.db2.gz QUDOYSZMOQRSDM-OREGWCPLSA-N 0 0 529.489 7.408 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104646919 571382050 /nfs/dbraw/zinc/38/20/50/571382050.db2.gz KBKJIXZZXWMMCP-DFXHWTJYSA-N 0 0 531.461 6.638 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647132 571382098 /nfs/dbraw/zinc/38/20/98/571382098.db2.gz YXRWUYBKNYMHQY-WZOHSFFVSA-N 0 0 529.445 6.407 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104647108 571382107 /nfs/dbraw/zinc/38/21/07/571382107.db2.gz PGPQJZFFZHXPMS-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104647440 571382151 /nfs/dbraw/zinc/38/21/51/571382151.db2.gz WDEWWYUSTOQGGV-DFIYOIEZSA-N 0 0 531.461 6.638 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648027 571382262 /nfs/dbraw/zinc/38/22/62/571382262.db2.gz XYWZRCJSIZWSCG-YZUZCNPQSA-N 0 0 560.311 6.839 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647602 571382367 /nfs/dbraw/zinc/38/23/67/571382367.db2.gz YADUVEYSZYFFRZ-DKGMKSHISA-N 0 0 539.097 7.073 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648137 571382446 /nfs/dbraw/zinc/38/24/46/571382446.db2.gz KSRLWTIUSBFTIA-WZOHSFFVSA-N 0 0 525.424 5.805 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648153 571382475 /nfs/dbraw/zinc/38/24/75/571382475.db2.gz OGQRDXTWOALZGZ-SXDGJLEOSA-N 0 0 569.521 6.874 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648232 571382499 /nfs/dbraw/zinc/38/24/99/571382499.db2.gz AREPXSWKRPWMFO-RHGYRFJNSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648250 571382529 /nfs/dbraw/zinc/38/25/29/571382529.db2.gz YSWYRDKWROJVOP-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648667 571382674 /nfs/dbraw/zinc/38/26/74/571382674.db2.gz HEMYZONAWJOENI-GNBJCERTSA-N 0 0 565.013 7.003 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649324 571382765 /nfs/dbraw/zinc/38/27/65/571382765.db2.gz ZQGLEWFXJYSQBH-FVXXUCQHSA-N 0 0 539.613 7.014 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCC)c(OCC)c2)N3)cc1 ZINC000104648895 571382809 /nfs/dbraw/zinc/38/28/09/571382809.db2.gz LGJJAVFYEKUPQI-NHWZYIIXSA-N 0 0 534.678 6.510 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCC)c(OCC)c1)N2 ZINC000104649153 571382853 /nfs/dbraw/zinc/38/28/53/571382853.db2.gz KPXGEZSMKPRZNO-DDFCPOBKSA-N 0 0 534.678 6.510 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649320 571382876 /nfs/dbraw/zinc/38/28/76/571382876.db2.gz YGTBROJBDDTLHL-WTNLLYQRSA-N 0 0 552.652 6.893 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649028 571382880 /nfs/dbraw/zinc/38/28/80/571382880.db2.gz CAEOATXMRARVQW-ANSQWYIGSA-N 0 0 541.467 6.094 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c(OC)c1 ZINC000104649522 571382970 /nfs/dbraw/zinc/38/29/70/571382970.db2.gz UAFZOINHHABGOO-QSOCVKKASA-N 0 0 613.692 6.818 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1OC ZINC000104649645 571383019 /nfs/dbraw/zinc/38/30/19/571383019.db2.gz CNNDFCDYEDFQAT-GNBJCERTSA-N 0 0 531.461 6.638 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c(OC)c1 ZINC000104649432 571383028 /nfs/dbraw/zinc/38/30/28/571383028.db2.gz ATXDMHNDOKAHPL-GNBJCERTSA-N 0 0 531.461 6.638 40 10 KKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649336 571383046 /nfs/dbraw/zinc/38/30/46/571383046.db2.gz UYKDJYDXXQFIRH-PVTPYKNESA-N 0 0 539.613 7.014 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104650162 571383189 /nfs/dbraw/zinc/38/31/89/571383189.db2.gz HAVZCBHAFREUNS-SXDGJLEOSA-N 0 0 535.622 6.020 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000104650101 571383191 /nfs/dbraw/zinc/38/31/91/571383191.db2.gz DIHNPFNPKUKJPC-YZUZCNPQSA-N 0 0 526.412 5.985 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650521 571383267 /nfs/dbraw/zinc/38/32/67/571383267.db2.gz BPETVRSCXFNVMB-SRGWNRLKSA-N 0 0 583.857 7.749 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2[C@H]2C=CC[C@H]21 ZINC000104650272 571383344 /nfs/dbraw/zinc/38/33/44/571383344.db2.gz ZLJTWPBHITZXEU-CTWZREHQSA-N 0 0 561.501 7.238 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655405 571383631 /nfs/dbraw/zinc/38/36/31/571383631.db2.gz ZVSXCELTOXTKQY-SAGCDJCOSA-N 0 0 622.588 6.497 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655422 571383645 /nfs/dbraw/zinc/38/36/45/571383645.db2.gz RTOPUAYVDRNWJN-SAGCDJCOSA-N 0 0 578.137 6.388 40 10 KKCBRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655434 571383656 /nfs/dbraw/zinc/38/36/56/571383656.db2.gz DVZCMBFCRGCSBN-SAGCDJCOSA-N 0 0 588.689 5.643 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000104660269 571384961 /nfs/dbraw/zinc/38/49/61/571384961.db2.gz NMPZVMGYKXTVPU-UHFFFAOYSA-N 0 0 556.236 6.487 40 10 KKCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000104660728 571384991 /nfs/dbraw/zinc/38/49/91/571384991.db2.gz XBMWAWLTDSKTRS-UHFFFAOYSA-N 0 0 554.440 7.328 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000104660601 571384993 /nfs/dbraw/zinc/38/49/93/571384993.db2.gz HVOACHACMVFAKX-UHFFFAOYSA-N 0 0 523.379 5.944 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000104677216 571385324 /nfs/dbraw/zinc/38/53/24/571385324.db2.gz LCTISVKUJCAKSV-WWWKDLBZSA-N 0 0 575.775 5.557 40 10 KKCBRN O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000105455354 571404967 /nfs/dbraw/zinc/40/49/67/571404967.db2.gz WANAOKBFLIAHJT-UHFFFAOYSA-N 0 0 529.961 6.257 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498383 571405774 /nfs/dbraw/zinc/40/57/74/571405774.db2.gz CPTQWUFMYOBJLO-GONGWJOBSA-N 0 0 608.163 6.526 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000105511735 571406803 /nfs/dbraw/zinc/40/68/03/571406803.db2.gz YIEILWNMYWFCHI-GONGWJOBSA-N 0 0 608.163 6.526 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105517665 571407195 /nfs/dbraw/zinc/40/71/95/571407195.db2.gz APHYTFITWCRGNC-MRWVFDTMSA-N 0 0 611.167 5.521 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OC)SC2=S)cc1 ZINC000105668270 571408212 /nfs/dbraw/zinc/40/82/12/571408212.db2.gz VRTNZSKMXGPVPU-OVCLIPMQSA-N 0 0 609.248 5.319 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000106685160 571413657 /nfs/dbraw/zinc/41/36/57/571413657.db2.gz JZXSECIYABDSLA-XYGWBWBKSA-N 0 0 523.054 6.941 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106685150 571413663 /nfs/dbraw/zinc/41/36/63/571413663.db2.gz WYMUWPYZJFGHIE-XYGWBWBKSA-N 0 0 508.043 5.821 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106692265 571413968 /nfs/dbraw/zinc/41/39/68/571413968.db2.gz RBSHDRSAODEZFG-QFEZKATASA-N 0 0 535.438 7.385 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106696430 571414175 /nfs/dbraw/zinc/41/41/75/571414175.db2.gz NZVPXBVOJUILIP-QFEZKATASA-N 0 0 520.586 5.978 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C(=O)N1Cc1ccccc1F ZINC000106697777 571414186 /nfs/dbraw/zinc/41/41/86/571414186.db2.gz GXGZNLQVYHATTP-VKROEABVSA-N 0 0 501.461 7.202 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106698899 571414300 /nfs/dbraw/zinc/41/43/00/571414300.db2.gz RHIWPJNBCKIYTC-YUMHPJSZSA-N 0 0 559.644 7.529 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000106700051 571414384 /nfs/dbraw/zinc/41/43/84/571414384.db2.gz CCHXPDULDIIDOA-XYGWBWBKSA-N 0 0 508.043 5.821 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106699972 571414395 /nfs/dbraw/zinc/41/43/95/571414395.db2.gz XBCZPQNSEMEOFQ-YUMHPJSZSA-N 0 0 576.099 8.043 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000106726590 571416364 /nfs/dbraw/zinc/41/63/64/571416364.db2.gz ZLOVTDITWROVRP-MYYYXRDXSA-N 0 0 517.448 7.246 40 10 KKCBRN Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)S1 ZINC000107454227 571420197 /nfs/dbraw/zinc/42/01/97/571420197.db2.gz HMEYYTPIHGZLKH-VGOFMYFVSA-N 0 0 502.615 5.961 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1O ZINC000108344084 571423460 /nfs/dbraw/zinc/42/34/60/571423460.db2.gz PDFAWAQNQKRXPI-UHFFFAOYSA-N 0 0 570.408 5.144 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000109646629 571429634 /nfs/dbraw/zinc/42/96/34/571429634.db2.gz CNQOWZHOVKSNRD-UHFFFAOYSA-N 0 0 579.634 6.321 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223098312 571430796 /nfs/dbraw/zinc/43/07/96/571430796.db2.gz QQIIJNAPDRSJSD-DQEYMECFSA-N 0 0 509.517 6.557 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000111494362 571433366 /nfs/dbraw/zinc/43/33/66/571433366.db2.gz OOELXNVSPOIVIY-VWGWLNKZSA-N 0 0 617.771 6.272 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144543 571435851 /nfs/dbraw/zinc/43/58/51/571435851.db2.gz GGPQYRMVYXAFKC-LOSJGSFVSA-N 0 0 530.525 5.101 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2O)SC(=S)N1C1CCCCC1 ZINC000113830430 571442331 /nfs/dbraw/zinc/44/23/31/571442331.db2.gz TXRKGYMTPZFGIL-QPEQYQDCSA-N 0 0 571.243 5.135 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000113830564 571442422 /nfs/dbraw/zinc/44/24/22/571442422.db2.gz PLXWQTJKCJJPDM-HYARGMPZSA-N 0 0 506.561 5.537 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113831013 571442445 /nfs/dbraw/zinc/44/24/45/571442445.db2.gz PKUBDBDZLMFYCZ-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OC ZINC000113830718 571442446 /nfs/dbraw/zinc/44/24/46/571442446.db2.gz ALNBYZIKLNDIGA-GZTJUZNOSA-N 0 0 511.406 5.100 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113832631 571442552 /nfs/dbraw/zinc/44/25/52/571442552.db2.gz ABTVQIUTPAQNMM-FSJBWODESA-N 0 0 512.553 7.253 40 10 KKCBRN COc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000113832851 571442573 /nfs/dbraw/zinc/44/25/73/571442573.db2.gz YBUDLRDFIJTGOL-UHFFFAOYSA-N 0 0 507.615 5.851 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113833809 571442580 /nfs/dbraw/zinc/44/25/80/571442580.db2.gz DSMIZOHWBFNNCH-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc(Cl)c1 ZINC000113833589 571442600 /nfs/dbraw/zinc/44/26/00/571442600.db2.gz IBIVSJPNIOQCGP-AFUMVMLFSA-N 0 0 566.929 8.241 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187616 571442585 /nfs/dbraw/zinc/44/25/85/571442585.db2.gz FUPSFVDUCHBEQM-KYJUHHDHSA-N 0 0 546.785 5.030 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000113833828 571442627 /nfs/dbraw/zinc/44/26/27/571442627.db2.gz CTCVNZSWGSRNLS-UHFFFAOYSA-N 0 0 548.664 6.721 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833922 571442634 /nfs/dbraw/zinc/44/26/34/571442634.db2.gz IIHPUXTWFAACSL-YDZHTSKRSA-N 0 0 527.023 6.632 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833458 571442664 /nfs/dbraw/zinc/44/26/64/571442664.db2.gz CGKGNVYFWZYAMS-LPYMAVHISA-N 0 0 523.548 5.496 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113834963 571442700 /nfs/dbraw/zinc/44/27/00/571442700.db2.gz NQPSAPWYFFVYFC-FSJBWODESA-N 0 0 539.560 7.022 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000113834186 571442790 /nfs/dbraw/zinc/44/27/90/571442790.db2.gz IJEVTECVMRUOMQ-YDZHTSKRSA-N 0 0 515.578 7.007 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113834486 571442802 /nfs/dbraw/zinc/44/28/02/571442802.db2.gz JZCNTIUIHGJYIR-AUEPDCJTSA-N 0 0 540.453 7.310 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000113838089 571442861 /nfs/dbraw/zinc/44/28/61/571442861.db2.gz TXIRHSCMIXIOCA-AWQFTUOYSA-N 0 0 504.420 6.715 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190645 571443052 /nfs/dbraw/zinc/44/30/52/571443052.db2.gz OMUIZGXYKPVGGC-SVBPBHIXSA-N 0 0 524.134 5.146 40 10 KKCBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223215714 571446318 /nfs/dbraw/zinc/44/63/18/571446318.db2.gz NYXWKJNVLYWZEH-HNNXBMFYSA-N 0 0 554.525 5.373 40 10 KKCBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)[C@]12C ZINC000118933529 571447691 /nfs/dbraw/zinc/44/76/91/571447691.db2.gz ONMZIPMOVQAMQO-RBCXWIBESA-N 0 0 566.694 6.414 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000144707045 571456419 /nfs/dbraw/zinc/45/64/19/571456419.db2.gz NKXJFSCEULKHFE-JGVLGKFESA-N 0 0 524.491 6.351 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000144227382 571456486 /nfs/dbraw/zinc/45/64/86/571456486.db2.gz OSHRHUFNYDSWTK-YSMPRRRNSA-N 0 0 556.556 6.944 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000144224796 571456526 /nfs/dbraw/zinc/45/65/26/571456526.db2.gz SZODRKOJSYKPAP-PKAZHMFMSA-N 0 0 515.034 7.567 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223296107 571456781 /nfs/dbraw/zinc/45/67/81/571456781.db2.gz GJYCMRTZEGGRDN-ZTCOLXNVSA-N 0 0 500.590 5.659 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)C1=C(Nc1cc2ccccc2cc1NC(=C1C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150341678 571458216 /nfs/dbraw/zinc/45/82/16/571458216.db2.gz FIOYHFYEZBDPIM-FSVNFQGMSA-N 0 0 710.932 10.933 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000223309830 571458900 /nfs/dbraw/zinc/45/89/00/571458900.db2.gz FFUMQRRHTHILOR-GKVQRAMASA-N 0 0 511.489 5.403 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312041 571459171 /nfs/dbraw/zinc/45/91/71/571459171.db2.gz SEZHOYUJKJCKBY-SAAIGDAKSA-N 0 0 503.716 5.487 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223312384 571459334 /nfs/dbraw/zinc/45/93/34/571459334.db2.gz XHYZHDKAYJFRPX-NTUVXCKYSA-N 0 0 501.483 5.947 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(F)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150351959 571462343 /nfs/dbraw/zinc/46/23/43/571462343.db2.gz TWZULRLTBGOYKM-SLDXWZKBSA-N 0 0 656.135 5.864 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Br ZINC000223346191 571463689 /nfs/dbraw/zinc/46/36/89/571463689.db2.gz SCEPTZGJQSJHAJ-DNQXCXABSA-N 0 0 507.457 6.017 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c([N+](=O)[O-])c1 ZINC000223351683 571464532 /nfs/dbraw/zinc/46/45/32/571464532.db2.gz ORDZXHDFUHUUKO-LOSJGSFVSA-N 0 0 503.584 5.172 40 10 KKCBRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000150365821 571464636 /nfs/dbraw/zinc/46/46/36/571464636.db2.gz LRKLDIYQQGJAQN-SAGCDJCOSA-N 0 0 669.588 6.339 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000150367177 571465044 /nfs/dbraw/zinc/46/50/44/571465044.db2.gz BLRUWJUWBMTUJT-VCHYOVAHSA-N 0 0 684.655 5.795 40 10 KKCBRN c1ccc(/C(N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)=C(\N=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000150373998 571466207 /nfs/dbraw/zinc/46/62/07/571466207.db2.gz JHYJIVGZSFPPKL-YCZIKMHVSA-N 0 0 720.920 13.401 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223371374 571467049 /nfs/dbraw/zinc/46/70/49/571467049.db2.gz JWWSIJYUKQAILW-FTJBHMTQSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223382799 571468848 /nfs/dbraw/zinc/46/88/48/571468848.db2.gz PHBFDUMJCZUTJL-CLJLJLNGSA-N 0 0 506.597 6.681 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223410225 571472624 /nfs/dbraw/zinc/47/26/24/571472624.db2.gz DPLXGFDMONFWEN-JSOSNVBQSA-N 0 0 553.732 5.507 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223411555 571472812 /nfs/dbraw/zinc/47/28/12/571472812.db2.gz QIXYXNYDQJWNBJ-SVBPBHIXSA-N 0 0 519.114 6.548 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000223413245 571473108 /nfs/dbraw/zinc/47/31/08/571473108.db2.gz IRECXQLZRYOIAX-UHFFFAOYSA-N 0 0 520.482 5.351 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223421302 571474069 /nfs/dbraw/zinc/47/40/69/571474069.db2.gz PLPSKKHUWXDOFJ-SXOMAYOGSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223424455 571474637 /nfs/dbraw/zinc/47/46/37/571474637.db2.gz OJMCCLRMKNLXMU-SVBPBHIXSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223426465 571474808 /nfs/dbraw/zinc/47/48/08/571474808.db2.gz LZNSAUNKDJYXHB-NSOVKSMOSA-N 0 0 517.098 6.632 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223426981 571474946 /nfs/dbraw/zinc/47/49/46/571474946.db2.gz FFNDMDHDSITTRZ-NSOVKSMOSA-N 0 0 543.649 5.587 40 10 KKCBRN CC(C)(C)NC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)NC(C)(C)C)cc4)C3=O)SC2=S)cc1 ZINC000150399597 571477611 /nfs/dbraw/zinc/47/76/11/571477611.db2.gz FDTHUJAAHLBDCJ-WCWDXBQESA-N 0 0 640.878 5.242 40 10 KKCBRN CCCN(CCC)C(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)N(CCC)CCC)cc4)C3=O)SC2=S)cc1 ZINC000150399603 571477618 /nfs/dbraw/zinc/47/76/18/571477618.db2.gz LOSCWEHVHCYATR-QVIHXGFCSA-N 0 0 696.986 6.710 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OCC ZINC000150400210 571477903 /nfs/dbraw/zinc/47/79/03/571477903.db2.gz CANFGMODMDLRDZ-NLRVBDNBSA-N 0 0 660.508 7.524 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000224119702 571480017 /nfs/dbraw/zinc/48/00/17/571480017.db2.gz NWSFYMYJPYRRAV-OBIKLVFUSA-N 0 0 586.249 8.026 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Br)c1 ZINC000223461451 571480078 /nfs/dbraw/zinc/48/00/78/571480078.db2.gz GJJCASXUHIFZRN-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Br)c1 ZINC000223461353 571480083 /nfs/dbraw/zinc/48/00/83/571480083.db2.gz GJJCASXUHIFZRN-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)SC1=S)Nc1cccc(F)c1 ZINC000150407868 571480397 /nfs/dbraw/zinc/48/03/97/571480397.db2.gz VECLNFAYECBQJM-OCEACIFDSA-N 0 0 676.858 6.595 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224123558 571480794 /nfs/dbraw/zinc/48/07/94/571480794.db2.gz OBNBZSSLZQAVTP-HOZWTIGUSA-N 0 0 620.650 8.161 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223464533 571480866 /nfs/dbraw/zinc/48/08/66/571480866.db2.gz ISZAPAGVLJMJFW-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000224127667 571481788 /nfs/dbraw/zinc/48/17/88/571481788.db2.gz IDELWIIDLWQHFM-HYEYWOLSSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4nc(C)cs4)C3=O)SC2=S)n1 ZINC000150409708 571482133 /nfs/dbraw/zinc/48/21/33/571482133.db2.gz QIAOLBYSNTWHCM-FMQUCBEESA-N 0 0 682.966 5.847 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224128781 571482191 /nfs/dbraw/zinc/48/21/91/571482191.db2.gz QLSQHPRVRUCENB-CKUCSLQLSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1O ZINC000224130714 571482517 /nfs/dbraw/zinc/48/25/17/571482517.db2.gz CTRLHHSOFRMSMV-OTWWGAIPSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224130923 571482622 /nfs/dbraw/zinc/48/26/22/571482622.db2.gz DDOOICAEZZAWFZ-OTWWGAIPSA-N 0 0 586.205 7.508 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224131031 571482746 /nfs/dbraw/zinc/48/27/46/571482746.db2.gz ORARJJUQJKGVKI-DRGKEXPISA-N 0 0 600.232 7.811 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224131679 571482900 /nfs/dbraw/zinc/48/29/00/571482900.db2.gz WXSNEIOQYBPBAR-LKPJLLJWSA-N 0 0 600.232 7.811 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132762 571483033 /nfs/dbraw/zinc/48/30/33/571483033.db2.gz YBXRWHFILGLTIN-PXOVULQYSA-N 0 0 641.329 8.648 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224132917 571483167 /nfs/dbraw/zinc/48/31/67/571483167.db2.gz UPIMPNZCVYCGPQ-MIJNXXRQSA-N 0 0 639.096 9.109 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224133316 571483182 /nfs/dbraw/zinc/48/31/82/571483182.db2.gz FLZBIWRDKRMRBN-GELFIORSSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224133702 571483357 /nfs/dbraw/zinc/48/33/57/571483357.db2.gz LVCYGEKLCRNXNB-VWGIWBQRSA-N 0 0 598.260 8.419 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224134656 571483389 /nfs/dbraw/zinc/48/33/89/571483389.db2.gz VJVGAIGCLLECQZ-DRHZDZKSSA-N 0 0 645.229 7.719 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224149150 571486486 /nfs/dbraw/zinc/48/64/86/571486486.db2.gz YDGOORLZDKRUAH-DRGKEXPISA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21 ZINC000223494972 571486772 /nfs/dbraw/zinc/48/67/72/571486772.db2.gz APVQHUCTGOSDLE-FMCGGJTJSA-N 0 0 510.059 6.425 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223495013 571486817 /nfs/dbraw/zinc/48/68/17/571486817.db2.gz BFSVERFXJJVFIT-LOSJGSFVSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Br)c1 ZINC000223497615 571487102 /nfs/dbraw/zinc/48/71/02/571487102.db2.gz QLKAQTMMHFYVOT-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Br)cc3)C2=O)SC1=S)Nc1ccc(Br)cc1 ZINC000150420772 571487312 /nfs/dbraw/zinc/48/73/12/571487312.db2.gz LBJPXRVNXHOIPC-OCEACIFDSA-N 0 0 798.670 7.842 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224154553 571487467 /nfs/dbraw/zinc/48/74/67/571487467.db2.gz USPITRRWVCORQD-URLMMPGGSA-N 0 0 509.679 5.503 40 10 KKCBRN CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=C3SC(=S)N(CCCC(=O)Nc4ccc(C(C)=O)cc4)C3=O)SC2=S)cc1 ZINC000150422558 571488540 /nfs/dbraw/zinc/48/85/40/571488540.db2.gz QTVIOJQMAIGIAL-OCEACIFDSA-N 0 0 668.844 5.162 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150422984 571488584 /nfs/dbraw/zinc/48/85/84/571488584.db2.gz NVTZTWGFTJLUDJ-NDZAJKAJSA-N 0 0 753.549 8.222 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Br ZINC000224166543 571489617 /nfs/dbraw/zinc/48/96/17/571489617.db2.gz YOGURCNWQMHTQP-DQEYMECFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Br ZINC000224166430 571489410 /nfs/dbraw/zinc/48/94/10/571489410.db2.gz YOGURCNWQMHTQP-RPBOFIJWSA-N 0 0 503.469 6.429 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000150424875 571489512 /nfs/dbraw/zinc/48/95/12/571489512.db2.gz MECSIBNDNWUIIH-TWKHWXDSSA-N 0 0 661.552 8.472 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)SC1=S)Nc1cccc(Cl)c1Cl ZINC000150426141 571490373 /nfs/dbraw/zinc/49/03/73/571490373.db2.gz NPJMDNVBTBRLPN-OCEACIFDSA-N 0 0 778.658 8.930 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3Cl)C2=O)SC1=S)Nc1cccc(Cl)c1Cl ZINC000150426219 571490597 /nfs/dbraw/zinc/49/05/97/571490597.db2.gz WKIAMBBOUAWWBX-FMQUCBEESA-N 0 0 694.496 6.590 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224192366 571493856 /nfs/dbraw/zinc/49/38/56/571493856.db2.gz DWSSEMQXSMSNNE-CLJLJLNGSA-N 0 0 506.597 6.993 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000224199022 571494843 /nfs/dbraw/zinc/49/48/43/571494843.db2.gz FHQCKRBMIZRWRG-UHFFFAOYSA-N 0 0 534.509 5.736 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208343 571497149 /nfs/dbraw/zinc/49/71/49/571497149.db2.gz KMXKONDUGOSPRF-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223540073 571498007 /nfs/dbraw/zinc/49/80/07/571498007.db2.gz WMYMUSXFFAXMLP-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223539695 571498011 /nfs/dbraw/zinc/49/80/11/571498011.db2.gz MZOZDLMQXPJIPJ-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223543058 571498472 /nfs/dbraw/zinc/49/84/72/571498472.db2.gz DIMSUNJKWITUOU-FTJBHMTQSA-N 0 0 504.059 5.719 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)SC1=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000150444488 571499795 /nfs/dbraw/zinc/49/97/95/571499795.db2.gz RVZNKEHCTAUPPV-FMQUCBEESA-N 0 0 761.600 7.321 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1 ZINC000150444565 571499830 /nfs/dbraw/zinc/49/98/30/571499830.db2.gz XKJYNIWGUHTGHO-QFFDILLMSA-N 0 0 794.638 5.765 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C(=O)OCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150444743 571499859 /nfs/dbraw/zinc/49/98/59/571499859.db2.gz SDGMYFZBTVWZFT-BYYHNAKLSA-N 0 0 756.950 5.890 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(I)cc3)C2=O)SC1=S)Nc1ccc(I)cc1 ZINC000150444970 571499963 /nfs/dbraw/zinc/49/99/63/571499963.db2.gz UQNXBBYEOSWVRK-FMQUCBEESA-N 0 0 808.508 5.185 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)SC1=S)Nc1ccccc1Br ZINC000150444822 571499982 /nfs/dbraw/zinc/49/99/82/571499982.db2.gz VNFUEESNLBXZAT-FMQUCBEESA-N 0 0 714.508 5.501 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000150444784 571499992 /nfs/dbraw/zinc/49/99/92/571499992.db2.gz KRQGTPDBXWLZCP-OCEACIFDSA-N 0 0 886.994 8.108 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000150449586 571502039 /nfs/dbraw/zinc/50/20/39/571502039.db2.gz CNPZMRYXQWPNFS-JEIPZWNWSA-N 0 0 797.068 9.138 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224236225 571503482 /nfs/dbraw/zinc/50/34/82/571503482.db2.gz WQBAHWQHGVRJSS-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223567286 571503683 /nfs/dbraw/zinc/50/36/83/571503683.db2.gz NKFBEFHBCLZCSZ-SMNNTEATSA-N 0 0 507.656 5.871 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224239917 571504459 /nfs/dbraw/zinc/50/44/59/571504459.db2.gz FCNPDZCDJQQTDD-SXOMAYOGSA-N 0 0 513.623 5.891 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223586012 571508203 /nfs/dbraw/zinc/50/82/03/571508203.db2.gz XDRCXXWKMRALOB-ICODJCHTSA-N 0 0 556.526 6.545 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4nnc(CCCC)s4)C3=O)SC2=S)s1 ZINC000150469733 571508919 /nfs/dbraw/zinc/50/89/19/571508919.db2.gz YDZZYYKOCMODST-FMQUCBEESA-N 0 0 712.996 5.145 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C4\SC(=S)N(CCCC(=O)Nc5ncc(Cc6ccc(C)cc6)s5)C4=O)SC3=S)s2)cc1 ZINC000150469755 571508970 /nfs/dbraw/zinc/50/89/70/571508970.db2.gz GPENIMPKSJTMKW-QVIHXGFCSA-N 0 0 807.108 7.468 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224262258 571508968 /nfs/dbraw/zinc/50/89/68/571508968.db2.gz PFVKGBVVZHJARE-SXOMAYOGSA-N 0 0 503.071 6.642 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150469951 571509031 /nfs/dbraw/zinc/50/90/31/571509031.db2.gz MPRQMRRLEDIBIX-OCEACIFDSA-N 0 0 776.872 8.354 40 10 KKCBRN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4cccc(C)c4)C3=O)SC2=S)c1 ZINC000150469895 571509041 /nfs/dbraw/zinc/50/90/41/571509041.db2.gz PGUNOWOZWQELHP-BYYHNAKLSA-N 0 0 668.932 6.934 40 10 KKCBRN CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3OCC)C2=O)SC1=S ZINC000150470043 571509231 /nfs/dbraw/zinc/50/92/31/571509231.db2.gz ABJLOYQSEJPSLQ-QVIHXGFCSA-N 0 0 728.984 7.114 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224266596 571510029 /nfs/dbraw/zinc/51/00/29/571510029.db2.gz XVGPJXDLQRRSSA-KAYWLYCHSA-N 0 0 520.624 7.302 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224268919 571510246 /nfs/dbraw/zinc/51/02/46/571510246.db2.gz ATNHUZSDXURSQD-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224270913 571510662 /nfs/dbraw/zinc/51/06/62/571510662.db2.gz HUHNRMHLPYKICF-SVBPBHIXSA-N 0 0 521.517 7.590 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224270971 571510672 /nfs/dbraw/zinc/51/06/72/571510672.db2.gz QHVDZSIIOCCBNR-KAYWLYCHSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224272658 571511000 /nfs/dbraw/zinc/51/10/00/571511000.db2.gz RKFMWACOEMCBOV-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224272885 571511165 /nfs/dbraw/zinc/51/11/65/571511165.db2.gz CKPAWFLBHGZIFG-IZLXSDGUSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150481073 571512275 /nfs/dbraw/zinc/51/22/75/571512275.db2.gz CRORIMFAMLDCQA-RDRPBHBLSA-N 0 0 739.522 7.832 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150481156 571512461 /nfs/dbraw/zinc/51/24/61/571512461.db2.gz YPUMSDDEWSNUQA-RDRPBHBLSA-N 0 0 773.421 8.686 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223615817 571514496 /nfs/dbraw/zinc/51/44/96/571514496.db2.gz QICJNHVSHCSLGL-DNNAEVNTSA-N 0 0 509.647 6.310 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224306346 571518315 /nfs/dbraw/zinc/51/83/15/571518315.db2.gz QFCZHHCUQYNINI-WUFINQPMSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307328 571518650 /nfs/dbraw/zinc/51/86/50/571518650.db2.gz PVNFEXIGKSWJFG-VSGBNLITSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307675 571518743 /nfs/dbraw/zinc/51/87/43/571518743.db2.gz MQCXRMAPVKHBPL-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000224325578 571522281 /nfs/dbraw/zinc/52/22/81/571522281.db2.gz ORCKCJIPQHCPFO-FIRIVFDPSA-N 0 0 537.733 6.065 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000224325487 571522290 /nfs/dbraw/zinc/52/22/90/571522290.db2.gz ORCKCJIPQHCPFO-JSOSNVBQSA-N 0 0 537.733 6.065 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000224329952 571523023 /nfs/dbraw/zinc/52/30/23/571523023.db2.gz LDDKMGSBEFAORG-SVBPBHIXSA-N 0 0 503.071 6.588 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000224334523 571524335 /nfs/dbraw/zinc/52/43/35/571524335.db2.gz RNKHXVWHYWAPII-SVBPBHIXSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000224336683 571524910 /nfs/dbraw/zinc/52/49/10/571524910.db2.gz FYVNGLVGTLLWBC-SXOMAYOGSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000224340442 571525824 /nfs/dbraw/zinc/52/58/24/571525824.db2.gz ZRFGEONDVQCKIX-IZLXSDGUSA-N 0 0 527.650 6.145 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000224340397 571525836 /nfs/dbraw/zinc/52/58/36/571525836.db2.gz ZRFGEONDVQCKIX-NSOVKSMOSA-N 0 0 527.650 6.145 40 10 KKCBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662106 571527604 /nfs/dbraw/zinc/52/76/04/571527604.db2.gz XTMLICIYPNABCR-AHUUOCQNSA-N 0 0 713.399 11.836 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N3N=C4/C(=C\c5ccc(OC)cc5)CCC[C@H]4[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000150683675 571529025 /nfs/dbraw/zinc/52/90/25/571529025.db2.gz MWOAEBXAHIEWJU-IBXBFFCMSA-N 0 0 697.835 6.280 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224357983 571529316 /nfs/dbraw/zinc/52/93/16/571529316.db2.gz IEPCKBUHNXTAAY-AJQTZOPKSA-N 0 0 551.760 6.626 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224372720 571532465 /nfs/dbraw/zinc/53/24/65/571532465.db2.gz LNZCIRLMQLMSBS-VMPREFPWSA-N 0 0 515.126 7.751 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223721564 571532636 /nfs/dbraw/zinc/53/26/36/571532636.db2.gz ZNNJHDOEGCVLDB-ZEQRLZLVSA-N 0 0 516.589 5.434 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725718 571533306 /nfs/dbraw/zinc/53/33/06/571533306.db2.gz OZSBGBCCTXHUTA-WUFINQPMSA-N 0 0 519.715 5.261 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nnc(-c4ccccc4)n3Cc3ccccc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000163439802 571535311 /nfs/dbraw/zinc/53/53/11/571535311.db2.gz MXMNSXYKIQBRGA-UHFFFAOYSA-N 0 0 694.798 7.801 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224385819 571535482 /nfs/dbraw/zinc/53/54/82/571535482.db2.gz KLIKLTJPRIGEEY-WDYNHAJCSA-N 0 0 524.690 6.576 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163542629 571536492 /nfs/dbraw/zinc/53/64/92/571536492.db2.gz AEBDZSPHYBWQKV-KUSDHMTMSA-N 0 0 656.577 6.245 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000163592937 571537239 /nfs/dbraw/zinc/53/72/39/571537239.db2.gz LQAWTCZHIJLGHP-TZUCAZQYSA-N 0 0 711.622 5.526 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223753321 571538428 /nfs/dbraw/zinc/53/84/28/571538428.db2.gz YZFXRAMYISEYEC-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223756509 571538990 /nfs/dbraw/zinc/53/89/90/571538990.db2.gz NTDOTXMLILXJPP-XZWHSSHBSA-N 0 0 504.659 6.828 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223763404 571540061 /nfs/dbraw/zinc/54/00/61/571540061.db2.gz YAGJTRSGKUYXSU-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163716727 571541546 /nfs/dbraw/zinc/54/15/46/571541546.db2.gz USPJCYSJGUEFBK-LAUBZIAYSA-N 0 0 632.580 5.206 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163719464 571541653 /nfs/dbraw/zinc/54/16/53/571541653.db2.gz MMYGJFZSPZUERV-USDTVRPUSA-N 0 0 667.025 5.859 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(I)cc4I)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163721274 571541659 /nfs/dbraw/zinc/54/16/59/571541659.db2.gz VWJFXTBUNMOPHQ-YVBHXKDBSA-N 0 0 805.476 5.653 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000163720897 571541660 /nfs/dbraw/zinc/54/16/60/571541660.db2.gz PYNJIFPNBYHNCQ-FUFNRSNVSA-N 0 0 745.921 6.622 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc(C)cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163725613 571541845 /nfs/dbraw/zinc/54/18/45/571541845.db2.gz MYNJXEAGVOJQFB-RHVBNXJLSA-N 0 0 678.858 7.297 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163745176 571542445 /nfs/dbraw/zinc/54/24/45/571542445.db2.gz OMWVDSRVWSMNNN-IVWKLCDSSA-N 0 0 653.804 7.035 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)c1 ZINC000223781152 571543141 /nfs/dbraw/zinc/54/31/41/571543141.db2.gz IQGRHBGIQZFHLS-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN COc1ccc(/C(=C/C2(/C=C(/c3ccc(OC)cc3)c3ccc(N(C)C)cc3)OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c2ccc(N(C)C)cc2)cc1 ZINC000163827992 571543264 /nfs/dbraw/zinc/54/32/64/571543264.db2.gz NYMQRLJHQHVCAD-IENBMRAWSA-N 0 0 774.572 11.079 40 10 KKCBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)c3ccccc3I)C(C)(C)C2=S)S1 ZINC000164179300 571544437 /nfs/dbraw/zinc/54/44/37/571544437.db2.gz NZTKVIZJHCHGKX-UHFFFAOYSA-N 0 0 637.542 5.806 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000224433686 571544919 /nfs/dbraw/zinc/54/49/19/571544919.db2.gz HPLPOJDFFMIIKF-RPBOFIJWSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224437344 571545767 /nfs/dbraw/zinc/54/57/67/571545767.db2.gz VJIVSXDRUQKERU-CLJLJLNGSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223797949 571545895 /nfs/dbraw/zinc/54/58/95/571545895.db2.gz KYPTVQKSTXYYLA-KAYWLYCHSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223798619 571546050 /nfs/dbraw/zinc/54/60/50/571546050.db2.gz FQVGYCWHXHLTNZ-RRPNLBNLSA-N 0 0 547.522 6.827 40 10 KKCBRN CN1C(=O)C(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N(C)C1=S ZINC000164432062 571547665 /nfs/dbraw/zinc/54/76/65/571547665.db2.gz WYYZUVIWMNYKJQ-UHFFFAOYSA-N 0 0 668.294 5.227 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000164518509 571549103 /nfs/dbraw/zinc/54/91/03/571549103.db2.gz AMTCHDZBNZNSFP-FORVYCTJSA-N 0 0 635.789 7.010 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164544565 571549800 /nfs/dbraw/zinc/54/98/00/571549800.db2.gz LQGGOVDZJGPYBR-LLXISZFLSA-N 0 0 715.613 5.956 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224455008 571549879 /nfs/dbraw/zinc/54/98/79/571549879.db2.gz HUZGZJXIDCBTBO-URLMMPGGSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224459301 571550833 /nfs/dbraw/zinc/55/08/33/571550833.db2.gz KQMYKTKSYPPJGU-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000164791021 571551062 /nfs/dbraw/zinc/55/10/62/571551062.db2.gz YXPHFOXOBBQRRH-UHFFFAOYSA-N 0 0 672.519 7.469 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164813449 571551268 /nfs/dbraw/zinc/55/12/68/571551268.db2.gz VTDMFEHYVPVGKM-UHFFFAOYSA-N 0 0 631.910 7.664 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164808924 571551274 /nfs/dbraw/zinc/55/12/74/571551274.db2.gz RXHYVYVJRFBACB-UHFFFAOYSA-N 0 0 689.462 6.761 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224466765 571552579 /nfs/dbraw/zinc/55/25/79/571552579.db2.gz ZQGALMHYPJGZRQ-SXOMAYOGSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224467118 571552720 /nfs/dbraw/zinc/55/27/20/571552720.db2.gz VDXGERHTLXLNIO-RPBOFIJWSA-N 0 0 527.908 7.626 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224469440 571553261 /nfs/dbraw/zinc/55/32/61/571553261.db2.gz JFXHDUBHDBPFCL-IZZNHLLZSA-N 0 0 534.041 6.236 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000169617247 571553782 /nfs/dbraw/zinc/55/37/82/571553782.db2.gz DJCMWCWCHAJWAP-NJDAHSKKSA-N 0 0 526.759 5.342 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169617573 571553955 /nfs/dbraw/zinc/55/39/55/571553955.db2.gz QKMLZRRUSQKQLB-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169618101 571553998 /nfs/dbraw/zinc/55/39/98/571553998.db2.gz COWPUGUPZCGKPM-NJDAHSKKSA-N 0 0 570.317 5.163 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224481737 571556287 /nfs/dbraw/zinc/55/62/87/571556287.db2.gz LXXBCCCLOBSYOC-CLJLJLNGSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223822786 571556494 /nfs/dbraw/zinc/55/64/94/571556494.db2.gz GZSLHWNEADYISF-NSOVKSMOSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223823223 571556536 /nfs/dbraw/zinc/55/65/36/571556536.db2.gz BPJFOKIAQJFOSJ-VSGBNLITSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223823681 571556650 /nfs/dbraw/zinc/55/66/50/571556650.db2.gz RRQURWNNUWVKCJ-WUFINQPMSA-N 0 0 533.097 6.727 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000224493837 571559578 /nfs/dbraw/zinc/55/95/78/571559578.db2.gz VHGNKVJSLDWWSQ-DQEYMECFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224494486 571559772 /nfs/dbraw/zinc/55/97/72/571559772.db2.gz HWDSARYMPYVDFH-JWQCQUIFSA-N 0 0 571.466 7.448 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224494737 571559894 /nfs/dbraw/zinc/55/98/94/571559894.db2.gz YTLSWDWZMIZAKT-SXOMAYOGSA-N 0 0 531.523 6.991 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224496073 571560280 /nfs/dbraw/zinc/56/02/80/571560280.db2.gz NEFKAGGROHLRPZ-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224498419 571560862 /nfs/dbraw/zinc/56/08/62/571560862.db2.gz SYMITRKOLSOGHI-SVBPBHIXSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224499446 571561071 /nfs/dbraw/zinc/56/10/71/571561071.db2.gz ANHLIUINDLQOQM-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224502585 571561852 /nfs/dbraw/zinc/56/18/52/571561852.db2.gz LLADRDRZSMVPIX-LOSJGSFVSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224502899 571562032 /nfs/dbraw/zinc/56/20/32/571562032.db2.gz DLBMAHSXSPGNSA-JWQCQUIFSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223856221 571562545 /nfs/dbraw/zinc/56/25/45/571562545.db2.gz UCGOKLZOBSROCB-LOSJGSFVSA-N 0 0 508.569 6.391 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861113 571563541 /nfs/dbraw/zinc/56/35/41/571563541.db2.gz NOXBIXKNWGTMAC-URLMMPGGSA-N 0 0 511.695 6.218 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223861481 571563553 /nfs/dbraw/zinc/56/35/53/571563553.db2.gz BCQSWROWXNUGHF-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224520717 571565279 /nfs/dbraw/zinc/56/52/79/571565279.db2.gz ITRRYIAPYFTOFX-KYJUHHDHSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224520829 571565533 /nfs/dbraw/zinc/56/55/33/571565533.db2.gz ITRRYIAPYFTOFX-XZWHSSHBSA-N 0 0 539.705 5.511 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224521893 571565630 /nfs/dbraw/zinc/56/56/30/571565630.db2.gz BLDPLUUCXMSLMJ-UIOOFZCWSA-N 0 0 505.087 6.552 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224532718 571568009 /nfs/dbraw/zinc/56/80/09/571568009.db2.gz CHZABYHNRJRVDZ-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 ZINC000224534994 571568590 /nfs/dbraw/zinc/56/85/90/571568590.db2.gz AKNZHZODCQZUGB-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224534833 571568637 /nfs/dbraw/zinc/56/86/37/571568637.db2.gz UEYFTYQQRIJQRY-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223890011 571568924 /nfs/dbraw/zinc/56/89/24/571568924.db2.gz VXLMGIMARZTRFR-SVBPBHIXSA-N 0 0 518.086 6.091 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c1 ZINC000224536896 571569137 /nfs/dbraw/zinc/56/91/37/571569137.db2.gz AABAFHDCNCZHST-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000224536737 571569148 /nfs/dbraw/zinc/56/91/48/571569148.db2.gz HVOLQUVUNMPWHR-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c1 ZINC000224536984 571569152 /nfs/dbraw/zinc/56/91/52/571569152.db2.gz AABAFHDCNCZHST-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224537162 571569301 /nfs/dbraw/zinc/56/93/01/571569301.db2.gz MHEQHHONGWYBHH-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224537536 571569415 /nfs/dbraw/zinc/56/94/15/571569415.db2.gz XTOHHGDUEYJKJE-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223899390 571570887 /nfs/dbraw/zinc/57/08/87/571570887.db2.gz OQCKTBBVOKQEME-KAYWLYCHSA-N 0 0 536.532 7.039 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000205775325 571571081 /nfs/dbraw/zinc/57/10/81/571571081.db2.gz XRQNIRQORUACFC-VULFUBBASA-N 0 0 686.528 6.300 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223902024 571571344 /nfs/dbraw/zinc/57/13/44/571571344.db2.gz NBMWFGQQBHKEEX-WUFINQPMSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000206292501 571572675 /nfs/dbraw/zinc/57/26/75/571572675.db2.gz VUFZRAJAEVZBNC-OEAKJJBVSA-N 0 0 525.051 5.782 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000206906093 571573083 /nfs/dbraw/zinc/57/30/83/571573083.db2.gz QFWBWVPXXLUIGK-LPYMAVHISA-N 0 0 545.469 6.127 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C ZINC000208256932 571573606 /nfs/dbraw/zinc/57/36/06/571573606.db2.gz ZLOURKJHLIWDMT-CMBCABCVSA-N 0 0 512.075 6.354 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 ZINC000208256978 571573668 /nfs/dbraw/zinc/57/36/68/571573668.db2.gz MVPUIWKYYGTZNK-GGNAWJQTSA-N 0 0 528.074 6.136 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325704 571573863 /nfs/dbraw/zinc/57/38/63/571573863.db2.gz CLCMNBFZRJGATN-YNJLWJOVSA-N 0 0 507.656 5.791 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000208363852 571574005 /nfs/dbraw/zinc/57/40/05/571574005.db2.gz LBVDEKRPFHQBFE-RJFKIUDMSA-N 0 0 582.509 5.431 40 10 KKCBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)c1 ZINC000208423690 571574276 /nfs/dbraw/zinc/57/42/76/571574276.db2.gz ASPTYXJQCZTNBL-HVDVVURSSA-N 0 0 592.696 5.429 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000208393498 571574289 /nfs/dbraw/zinc/57/42/89/571574289.db2.gz MOUSTYHWFJGUMV-QZVQSRICSA-N 0 0 637.733 5.499 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208531805 571574609 /nfs/dbraw/zinc/57/46/09/571574609.db2.gz IPBNMLGYVQQJBR-QFEZKATASA-N 0 0 503.668 6.309 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208659355 571574799 /nfs/dbraw/zinc/57/47/99/571574799.db2.gz JCCLTMDVKSPKTL-MTJSOVHGSA-N 0 0 564.885 7.235 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000208653676 571574837 /nfs/dbraw/zinc/57/48/37/571574837.db2.gz GYUFTBHSFZUBRV-JAIQZWGSSA-N 0 0 613.755 7.989 40 10 KKCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000208665410 571574964 /nfs/dbraw/zinc/57/49/64/571574964.db2.gz WGDLAFXAOWYHAQ-XYGWBWBKSA-N 0 0 515.432 7.264 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208708128 571575014 /nfs/dbraw/zinc/57/50/14/571575014.db2.gz JDTSNOUVBWTOEK-NKVSQWTQSA-N 0 0 649.337 8.768 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223917261 571575050 /nfs/dbraw/zinc/57/50/50/571575050.db2.gz LUXKQYQMHAJNST-IZLXSDGUSA-N 0 0 525.678 5.519 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1cccc2ccccc21 ZINC000208730570 571575081 /nfs/dbraw/zinc/57/50/81/571575081.db2.gz LWDUZDOJHUKLQG-XKZIYDEJSA-N 0 0 537.416 7.176 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000208718746 571575097 /nfs/dbraw/zinc/57/50/97/571575097.db2.gz VJNNBGDVUXGPCR-JCMHNJIXSA-N 0 0 508.577 6.218 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000224564262 571575583 /nfs/dbraw/zinc/57/55/83/571575583.db2.gz ODCKOOJUFXKDAT-LOYHVIPDSA-N 0 0 504.659 6.828 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223921395 571575765 /nfs/dbraw/zinc/57/57/65/571575765.db2.gz VHHYFEKTHUBQIA-WDYNHAJCSA-N 0 0 577.676 6.522 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000224567848 571576337 /nfs/dbraw/zinc/57/63/37/571576337.db2.gz HVMNYVMWSYZVMW-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569974 571576866 /nfs/dbraw/zinc/57/68/66/571576866.db2.gz DVECFTGUMQCYRM-KYJUHHDHSA-N 0 0 525.722 6.521 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000223926589 571576945 /nfs/dbraw/zinc/57/69/45/571576945.db2.gz TVZVZSGLWUNCEE-WDYNHAJCSA-N 0 0 560.123 5.862 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000224570310 571576961 /nfs/dbraw/zinc/57/69/61/571576961.db2.gz IKGYDBCHSYODEZ-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000224570403 571576990 /nfs/dbraw/zinc/57/69/90/571576990.db2.gz IKGYDBCHSYODEZ-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214049276 571577253 /nfs/dbraw/zinc/57/72/53/571577253.db2.gz GGWMFASAIILUDZ-CVKSISIWSA-N 0 0 560.632 5.695 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000223930419 571577721 /nfs/dbraw/zinc/57/77/21/571577721.db2.gz HNFXMDWLYHJUHT-SAIUNTKASA-N 0 0 559.739 6.656 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000224573275 571577799 /nfs/dbraw/zinc/57/77/99/571577799.db2.gz YXWCGMBRECFGJB-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000223933014 571578140 /nfs/dbraw/zinc/57/81/40/571578140.db2.gz NOQRRFSEUXIUFX-FQLXRVMXSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F ZINC000223932883 571578155 /nfs/dbraw/zinc/57/81/55/571578155.db2.gz VSRYPKJFSZRWGZ-URLMMPGGSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F ZINC000223932774 571578179 /nfs/dbraw/zinc/57/81/79/571578179.db2.gz VSRYPKJFSZRWGZ-FQLXRVMXSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000223933302 571578258 /nfs/dbraw/zinc/57/82/58/571578258.db2.gz IMYCRYROBTZBMS-WDYNHAJCSA-N 0 0 527.669 5.642 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1O ZINC000223935057 571578538 /nfs/dbraw/zinc/57/85/38/571578538.db2.gz MYGGDTABBCJRAI-WDYNHAJCSA-N 0 0 525.678 5.208 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223936893 571579024 /nfs/dbraw/zinc/57/90/24/571579024.db2.gz GTOJPIQXPKKINJ-CZNDPXEESA-N 0 0 580.802 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000223937777 571579140 /nfs/dbraw/zinc/57/91/40/571579140.db2.gz OWQAUEBIJTYXRQ-IOWSJCHKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000223937914 571579205 /nfs/dbraw/zinc/57/92/05/571579205.db2.gz LHLDCLZMUHIPMR-FIRIVFDPSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000223938218 571579285 /nfs/dbraw/zinc/57/92/85/571579285.db2.gz RRGDFSWGTRSWIM-VEEOACQBSA-N 0 0 537.733 6.120 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214613007 571579705 /nfs/dbraw/zinc/57/97/05/571579705.db2.gz PDICWCROWYMYDO-MZJWZYIUSA-N 0 0 555.527 7.964 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223940004 571579756 /nfs/dbraw/zinc/57/97/56/571579756.db2.gz UKFMWAYBJWTSKY-XZWHSSHBSA-N 0 0 558.151 6.465 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214801878 571581148 /nfs/dbraw/zinc/58/11/48/571581148.db2.gz IQGPDXAUOGHVKN-LGJNPRDNSA-N 0 0 629.522 7.002 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224587659 571581411 /nfs/dbraw/zinc/58/14/11/571581411.db2.gz WLSROMSYGLQKCV-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c(OCc2ccccc2)c1 ZINC000214968044 571582211 /nfs/dbraw/zinc/58/22/11/571582211.db2.gz KFTQYNBIOQCULK-WGOQTCKBSA-N 0 0 551.506 7.111 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223955557 571583097 /nfs/dbraw/zinc/58/30/97/571583097.db2.gz ZZKGIQLOHORYNG-VMPREFPWSA-N 0 0 525.678 5.203 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(OCc2ccccc2)c1 ZINC000215236649 571584309 /nfs/dbraw/zinc/58/43/09/571584309.db2.gz GSTVLRYBTBZLGF-UVHMKAGCSA-N 0 0 551.064 6.730 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223961135 571584391 /nfs/dbraw/zinc/58/43/91/571584391.db2.gz STWAFYAHTFOEKU-SVBPBHIXSA-N 0 0 549.622 6.643 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224604218 571584753 /nfs/dbraw/zinc/58/47/53/571584753.db2.gz MRLQQKFUNPHZMV-DQEYMECFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606400 571585279 /nfs/dbraw/zinc/58/52/79/571585279.db2.gz BOIKIONOXIKOQV-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223975212 571586864 /nfs/dbraw/zinc/58/68/64/571586864.db2.gz PCGUNEUGSIVFMC-SXOMAYOGSA-N 0 0 560.521 6.387 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223976248 571587221 /nfs/dbraw/zinc/58/72/21/571587221.db2.gz JYGIPECLMQFLJH-NSOVKSMOSA-N 0 0 511.651 5.633 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223976486 571587242 /nfs/dbraw/zinc/58/72/42/571587242.db2.gz BZNKFRCQZDRVRZ-NSOVKSMOSA-N 0 0 511.651 5.633 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223977887 571587679 /nfs/dbraw/zinc/58/76/79/571587679.db2.gz BVJYKOVXBSYCMT-RRPNLBNLSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000223979113 571587839 /nfs/dbraw/zinc/58/78/39/571587839.db2.gz NGMOCYNGDJCUIF-URLMMPGGSA-N 0 0 509.679 6.241 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223980068 571587921 /nfs/dbraw/zinc/58/79/21/571587921.db2.gz IUKQQQJPTQWMPG-WUFINQPMSA-N 0 0 556.648 5.541 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223980247 571587940 /nfs/dbraw/zinc/58/79/40/571587940.db2.gz WQJZIDUVSCSRSU-IZLXSDGUSA-N 0 0 556.648 5.541 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981466 571588245 /nfs/dbraw/zinc/58/82/45/571588245.db2.gz IAJPFOGOPNPCCI-MFMCTBQISA-N 0 0 523.706 6.495 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981066 571588310 /nfs/dbraw/zinc/58/83/10/571588310.db2.gz WCWAIWPWNBULHC-NSOVKSMOSA-N 0 0 546.096 6.287 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224627105 571589970 /nfs/dbraw/zinc/58/99/70/571589970.db2.gz VUKFTHFTIATGOH-GPOMZPHUSA-N 0 0 601.776 7.295 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224634739 571591454 /nfs/dbraw/zinc/59/14/54/571591454.db2.gz RGWHWHSZJIKORX-PXLJZGITSA-N 0 0 566.730 8.612 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224635715 571591800 /nfs/dbraw/zinc/59/18/00/571591800.db2.gz LSKDKAWNWDLCHH-ACHIHNKUSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224636751 571592175 /nfs/dbraw/zinc/59/21/75/571592175.db2.gz VNIUIZSLNAIMFN-FIRIVFDPSA-N 0 0 534.660 7.598 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223997005 571592173 /nfs/dbraw/zinc/59/21/73/571592173.db2.gz QDVURCJLKCWZRC-NSOVKSMOSA-N 0 0 539.661 5.411 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224637101 571592187 /nfs/dbraw/zinc/59/21/87/571592187.db2.gz KVYBBZHLIRQCQN-CONSDPRKSA-N 0 0 534.660 7.598 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224638023 571592449 /nfs/dbraw/zinc/59/24/49/571592449.db2.gz YNFMSJBULJLBNO-CONSDPRKSA-N 0 0 595.566 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000224638264 571592510 /nfs/dbraw/zinc/59/25/10/571592510.db2.gz NZWQPOLBRGKRIW-JSOSNVBQSA-N 0 0 532.669 7.164 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642003 571593368 /nfs/dbraw/zinc/59/33/68/571593368.db2.gz OQUUYVWAZIBUQX-ZWXJPIIXSA-N 0 0 591.693 7.375 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224643501 571593438 /nfs/dbraw/zinc/59/34/38/571593438.db2.gz CDWOXIZEPASZMN-JSOSNVBQSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224643882 571593633 /nfs/dbraw/zinc/59/36/33/571593633.db2.gz NCIJRWKUSLJSRI-JSOSNVBQSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 ZINC000224014117 571595339 /nfs/dbraw/zinc/59/53/39/571595339.db2.gz PDJYRTUSCFXXKP-UIOOFZCWSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 ZINC000224014314 571595345 /nfs/dbraw/zinc/59/53/45/571595345.db2.gz BMISQVWTISHBHV-IZZNHLLZSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 ZINC000224014206 571595357 /nfs/dbraw/zinc/59/53/57/571595357.db2.gz BMISQVWTISHBHV-CLJLJLNGSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 ZINC000224014719 571595493 /nfs/dbraw/zinc/59/54/93/571595493.db2.gz UDLWCNSAGZGGGJ-FTJBHMTQSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 ZINC000224015059 571595503 /nfs/dbraw/zinc/59/55/03/571595503.db2.gz PNLQDNMTQQMFOH-UIOOFZCWSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1C ZINC000224019111 571596294 /nfs/dbraw/zinc/59/62/94/571596294.db2.gz NEICXTQVTFKNIP-KAYWLYCHSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224019428 571596403 /nfs/dbraw/zinc/59/64/03/571596403.db2.gz KFVMFHBJVKTUGJ-RRPNLBNLSA-N 0 0 543.605 5.312 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])c1 ZINC000224019610 571596442 /nfs/dbraw/zinc/59/64/42/571596442.db2.gz AZKDSLTZLSXHDZ-SXOMAYOGSA-N 0 0 543.605 5.312 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 ZINC000224654882 571596457 /nfs/dbraw/zinc/59/64/57/571596457.db2.gz TZVPDDFAPJIZDM-XZWHSSHBSA-N 0 0 502.643 7.150 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020806 571596596 /nfs/dbraw/zinc/59/65/96/571596596.db2.gz XUGAEVNGNDDKIP-LMSSTIIKSA-N 0 0 510.663 6.266 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccn1 ZINC000224662560 571598304 /nfs/dbraw/zinc/59/83/04/571598304.db2.gz JYKKXTZOSZAAGF-FIRIVFDPSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1 ZINC000224668648 571599340 /nfs/dbraw/zinc/59/93/40/571599340.db2.gz DIESWRJVEDYQBF-ZWXJPIIXSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224669209 571599367 /nfs/dbraw/zinc/59/93/67/571599367.db2.gz JVZHOGYBWKKLSS-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1 ZINC000224668601 571599387 /nfs/dbraw/zinc/59/93/87/571599387.db2.gz DIESWRJVEDYQBF-ROJLCIKYSA-N 0 0 530.697 7.767 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224036081 571599461 /nfs/dbraw/zinc/59/94/61/571599461.db2.gz YLWNLXORISTCEN-SVBPBHIXSA-N 0 0 526.618 5.182 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224669604 571599536 /nfs/dbraw/zinc/59/95/36/571599536.db2.gz UGWRAPOBIGTZOW-KKLWWLSJSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224671602 571599823 /nfs/dbraw/zinc/59/98/23/571599823.db2.gz LKEJZTVETHKERM-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224674278 571600521 /nfs/dbraw/zinc/60/05/21/571600521.db2.gz XFRLREYHDKHFMC-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224674419 571600671 /nfs/dbraw/zinc/60/06/71/571600671.db2.gz XFRLREYHDKHFMC-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224675385 571600823 /nfs/dbraw/zinc/60/08/23/571600823.db2.gz HMOKHDCPBTXLSJ-JHOUSYSJSA-N 0 0 579.169 8.729 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224051746 571602326 /nfs/dbraw/zinc/60/23/26/571602326.db2.gz KHQOGORLAOMNFY-LOYHVIPDSA-N 0 0 561.151 6.907 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl ZINC000224052538 571602451 /nfs/dbraw/zinc/60/24/51/571602451.db2.gz JEKYJGWFABYCND-IZLXSDGUSA-N 0 0 551.087 6.484 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224057128 571603443 /nfs/dbraw/zinc/60/34/43/571603443.db2.gz HIMPYYNLVCCIIC-LOYHVIPDSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl ZINC000224057659 571603585 /nfs/dbraw/zinc/60/35/85/571603585.db2.gz VQMCSIKFAZSUER-KYJUHHDHSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000224058774 571603992 /nfs/dbraw/zinc/60/39/92/571603992.db2.gz VLWKIRXDMUEJLN-FQLXRVMXSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224058435 571604018 /nfs/dbraw/zinc/60/40/18/571604018.db2.gz NWMGHIZCRAMJIU-WDYNHAJCSA-N 0 0 581.569 7.307 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224690019 571605069 /nfs/dbraw/zinc/60/50/69/571605069.db2.gz DHTFUVNKLGBXQX-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000224074451 571606703 /nfs/dbraw/zinc/60/67/03/571606703.db2.gz PFJOCDZQSREAJE-RRPNLBNLSA-N 0 0 519.070 6.036 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000224075490 571606772 /nfs/dbraw/zinc/60/67/72/571606772.db2.gz PLRBZRUZYKCKOA-VMPREFPWSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224704404 571606893 /nfs/dbraw/zinc/60/68/93/571606893.db2.gz HTZSLIBTBIUDRI-ZWXJPIIXSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224703216 571606896 /nfs/dbraw/zinc/60/68/96/571606896.db2.gz WZNRLHHZLKLTTA-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224705376 571607013 /nfs/dbraw/zinc/60/70/13/571607013.db2.gz ZEIRPFGGHPCAAZ-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224707919 571607352 /nfs/dbraw/zinc/60/73/52/571607352.db2.gz QXFLZFMHWBTPCD-AJQTZOPKSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccn1 ZINC000224082819 571607566 /nfs/dbraw/zinc/60/75/66/571607566.db2.gz KYYXZZDYXWGLGW-WUFINQPMSA-N 0 0 524.694 5.964 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224709083 571607657 /nfs/dbraw/zinc/60/76/57/571607657.db2.gz JRBMKTGCLDJQPC-SAIUNTKASA-N 0 0 574.706 7.496 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710877 571608024 /nfs/dbraw/zinc/60/80/24/571608024.db2.gz IVFVYTXVZUUVQQ-VLZNPVHKSA-N 0 0 572.778 8.638 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224088727 571608288 /nfs/dbraw/zinc/60/82/88/571608288.db2.gz RVMOWQVEHAUKMW-SAIUNTKASA-N 0 0 573.766 7.722 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224092337 571608816 /nfs/dbraw/zinc/60/88/16/571608816.db2.gz URDNWOIHGUTFDM-FQLXRVMXSA-N 0 0 602.602 7.332 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224095634 571609288 /nfs/dbraw/zinc/60/92/88/571609288.db2.gz ZSWCQCJMMNXKBA-JSOSNVBQSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224095355 571609293 /nfs/dbraw/zinc/60/92/93/571609293.db2.gz QULQVSXZCCQKOS-FQLXRVMXSA-N 0 0 592.596 7.876 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224097498 571609588 /nfs/dbraw/zinc/60/95/88/571609588.db2.gz LQYJWJPCRPQVAK-IHLOFXLRSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ncccc1C ZINC000224099250 571609869 /nfs/dbraw/zinc/60/98/69/571609869.db2.gz ZXWJOKYSWFRABH-NSOVKSMOSA-N 0 0 538.721 6.273 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccn4)c3C)cc2)cc1 ZINC000224731044 571612126 /nfs/dbraw/zinc/61/21/26/571612126.db2.gz JOBVEADDGNZAJA-IOWSJCHKSA-N 0 0 547.684 6.862 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C)c3C)cc2)cc1 ZINC000224737253 571612506 /nfs/dbraw/zinc/61/25/06/571612506.db2.gz PJNHJWVAUGGIGC-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)cc1 ZINC000224737630 571612557 /nfs/dbraw/zinc/61/25/57/571612557.db2.gz TULDDHWVSZAGAD-CZNDPXEESA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)cc1 ZINC000224737689 571612567 /nfs/dbraw/zinc/61/25/67/571612567.db2.gz GZJJOLODTZOIOB-ACHIHNKUSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4Cl)c3C)cc2)cc1 ZINC000224738878 571612639 /nfs/dbraw/zinc/61/26/39/571612639.db2.gz RLEKBGCGXQHMFO-ACHIHNKUSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)cc1 ZINC000224739755 571612697 /nfs/dbraw/zinc/61/26/97/571612697.db2.gz CTSVJYUQZKKZGH-ZWXJPIIXSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4Br)c3C)cc2)cc1 ZINC000224739646 571612712 /nfs/dbraw/zinc/61/27/12/571612712.db2.gz AQSXXDYGRDJVME-ROJLCIKYSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4O)c3C)cc2)cc1 ZINC000224740697 571612745 /nfs/dbraw/zinc/61/27/45/571612745.db2.gz YMAGSFGIMPNHRS-AJQTZOPKSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C)c4C)c3C)cc2)cc1 ZINC000224742919 571612915 /nfs/dbraw/zinc/61/29/15/571612915.db2.gz JJHJXNWAGMIJHY-NOCHOARKSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C)c4C)c3C)cc2)cc1 ZINC000224742866 571612952 /nfs/dbraw/zinc/61/29/52/571612952.db2.gz JJHJXNWAGMIJHY-HEVIKAOCSA-N 0 0 574.750 8.084 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224745547 571613242 /nfs/dbraw/zinc/61/32/42/571613242.db2.gz GCLFETUDHYMGPW-OQBISYOISA-N 0 0 588.777 8.338 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C)ccn4)c3C)cc2)cc1 ZINC000224745755 571613257 /nfs/dbraw/zinc/61/32/57/571613257.db2.gz CJHTUAOTDAGTPV-ZWXJPIIXSA-N 0 0 561.711 7.171 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C)cn4)c3C)cc2)cc1 ZINC000224746208 571613312 /nfs/dbraw/zinc/61/33/12/571613312.db2.gz DMCSKGKHBYHXSR-AJQTZOPKSA-N 0 0 561.711 7.171 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224758471 571614482 /nfs/dbraw/zinc/61/44/82/571614482.db2.gz OZLXOUQVHRFRHQ-SAIUNTKASA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1 ZINC000224771074 571615610 /nfs/dbraw/zinc/61/56/10/571615610.db2.gz PYDCHIPKQSTTFA-FIRIVFDPSA-N 0 0 577.735 7.726 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224772441 571615684 /nfs/dbraw/zinc/61/56/84/571615684.db2.gz SIQXPRMRTJLSHW-LQJZCPKCSA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224773373 571615803 /nfs/dbraw/zinc/61/58/03/571615803.db2.gz KHOAXUDOJYGHEE-JSOSNVBQSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224774666 571615880 /nfs/dbraw/zinc/61/58/80/571615880.db2.gz KZRIATSULKDRJZ-IOWSJCHKSA-N 0 0 593.734 7.431 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224775068 571615885 /nfs/dbraw/zinc/61/58/85/571615885.db2.gz OIEAFJDNBNJNBQ-AJQTZOPKSA-N 0 0 607.761 7.734 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224775019 571615916 /nfs/dbraw/zinc/61/59/16/571615916.db2.gz OIEAFJDNBNJNBQ-ZWXJPIIXSA-N 0 0 607.761 7.734 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224776749 571616070 /nfs/dbraw/zinc/61/60/70/571616070.db2.gz DQOSOUFEGCMBCE-LQJZCPKCSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224777334 571616101 /nfs/dbraw/zinc/61/61/01/571616101.db2.gz LPFBURHMGLNOHN-LQJZCPKCSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224777208 571616133 /nfs/dbraw/zinc/61/61/33/571616133.db2.gz LPFBURHMGLNOHN-CZNDPXEESA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224777728 571616142 /nfs/dbraw/zinc/61/61/42/571616142.db2.gz AFEFOBVGQRFFNS-TWJUONSBSA-N 0 0 619.816 8.651 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224777880 571616153 /nfs/dbraw/zinc/61/61/53/571616153.db2.gz MTGBVQKZXLCPMR-AJQTZOPKSA-N 0 0 626.207 8.687 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778045 571616174 /nfs/dbraw/zinc/61/61/74/571616174.db2.gz XEIZFXFPUQQLTI-ZWXJPIIXSA-N 0 0 652.758 7.642 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778885 571616226 /nfs/dbraw/zinc/61/62/26/571616226.db2.gz QWDSOILYGUWKOQ-AJQTZOPKSA-N 0 0 642.206 8.388 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224779848 571616291 /nfs/dbraw/zinc/61/62/91/571616291.db2.gz AAWDVVBUFWOVTL-IOWSJCHKSA-N 0 0 592.750 7.429 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224791425 571617489 /nfs/dbraw/zinc/61/74/89/571617489.db2.gz UQTKCCGWQANFAZ-JSOSNVBQSA-N 0 0 593.734 7.426 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(OC)c1 ZINC000224796256 571617967 /nfs/dbraw/zinc/61/79/67/571617967.db2.gz LEVDNLYOSLGWAU-IOWSJCHKSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c(OC)c1 ZINC000224797162 571618103 /nfs/dbraw/zinc/61/81/03/571618103.db2.gz LWUZAYIKCUVRCC-SXOMAYOGSA-N 0 0 500.668 5.908 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224805626 571618787 /nfs/dbraw/zinc/61/87/87/571618787.db2.gz JLGPVFGWDAXDGN-VMPREFPWSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1 ZINC000224805739 571618789 /nfs/dbraw/zinc/61/87/89/571618789.db2.gz CECWOMNJTISPTC-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1 ZINC000224805784 571618824 /nfs/dbraw/zinc/61/88/24/571618824.db2.gz CECWOMNJTISPTC-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c(OC)c1 ZINC000224807577 571618969 /nfs/dbraw/zinc/61/89/69/571618969.db2.gz HAEYPBAVUPOVTQ-SXOMAYOGSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224808225 571619031 /nfs/dbraw/zinc/61/90/31/571619031.db2.gz MSSUMEJDPAGMIZ-WUFINQPMSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 ZINC000224809058 571619154 /nfs/dbraw/zinc/61/91/54/571619154.db2.gz JLPJMDNIZWOQLI-FQLXRVMXSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1 ZINC000224810336 571619267 /nfs/dbraw/zinc/61/92/67/571619267.db2.gz ZPKFTVFJZAZQMM-VMPREFPWSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(OC)c1 ZINC000224811275 571619357 /nfs/dbraw/zinc/61/93/57/571619357.db2.gz WVQMTJYXYPZGCP-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)c(OC)c1 ZINC000224811431 571619364 /nfs/dbraw/zinc/61/93/64/571619364.db2.gz SYAPPQGTGCJUTA-WUFINQPMSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224824203 571620593 /nfs/dbraw/zinc/62/05/93/571620593.db2.gz KDCFRLAMDQYFSZ-RRPNLBNLSA-N 0 0 500.624 5.384 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224824831 571620654 /nfs/dbraw/zinc/62/06/54/571620654.db2.gz BZJAXURVLQEMIR-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224838315 571622075 /nfs/dbraw/zinc/62/20/75/571622075.db2.gz LDNHABKALLTGIT-WDYNHAJCSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000224839546 571622204 /nfs/dbraw/zinc/62/22/04/571622204.db2.gz YBGPITLZWUBRKR-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000224839458 571622215 /nfs/dbraw/zinc/62/22/15/571622215.db2.gz YBGPITLZWUBRKR-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224840598 571622314 /nfs/dbraw/zinc/62/23/14/571622314.db2.gz OSGXHDNCLKTYJZ-VSGBNLITSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1 ZINC000224840537 571622316 /nfs/dbraw/zinc/62/23/16/571622316.db2.gz UGPTXQKUCFYPQK-KAYWLYCHSA-N 0 0 500.624 5.389 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841871 571622373 /nfs/dbraw/zinc/62/23/73/571622373.db2.gz VPDFUQCYQMPWQV-IOWSJCHKSA-N 0 0 555.748 6.530 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224842025 571622425 /nfs/dbraw/zinc/62/24/25/571622425.db2.gz IBJXLKMGUIKRJX-SXOMAYOGSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000224844626 571622606 /nfs/dbraw/zinc/62/26/06/571622606.db2.gz NWPLZZYWMCIAAT-WUFINQPMSA-N 0 0 549.096 6.345 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 ZINC000224844127 571622623 /nfs/dbraw/zinc/62/26/23/571622623.db2.gz XAHFIWDDCPWPHP-NSOVKSMOSA-N 0 0 533.097 6.645 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224844969 571622648 /nfs/dbraw/zinc/62/26/48/571622648.db2.gz JRSXADZEIVOFJX-DGPALRBDSA-N 0 0 526.706 6.554 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224844918 571622668 /nfs/dbraw/zinc/62/26/68/571622668.db2.gz JRSXADZEIVOFJX-PQHLKRTFSA-N 0 0 526.706 6.554 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)cc1 ZINC000224856199 571623650 /nfs/dbraw/zinc/62/36/50/571623650.db2.gz DJUQYMSTBUZYDF-SVBPBHIXSA-N 0 0 500.624 5.384 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)c1 ZINC000224856510 571623682 /nfs/dbraw/zinc/62/36/82/571623682.db2.gz HGGUKTVNIQQNKZ-WUFINQPMSA-N 0 0 542.661 5.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1O ZINC000224864422 571624532 /nfs/dbraw/zinc/62/45/32/571624532.db2.gz QHBIXDPASPTFMT-LOSJGSFVSA-N 0 0 525.461 6.384 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(F)(F)F ZINC000224868555 571624956 /nfs/dbraw/zinc/62/49/56/571624956.db2.gz YSNMEAILPNVNQK-LOSJGSFVSA-N 0 0 543.014 7.044 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872447 571625423 /nfs/dbraw/zinc/62/54/23/571625423.db2.gz WGJOBBWNKLUFNT-JWQCQUIFSA-N 0 0 543.907 7.332 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000224873233 571625502 /nfs/dbraw/zinc/62/55/02/571625502.db2.gz FCKALEKDBZLCIS-RRPNLBNLSA-N 0 0 503.071 6.642 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c([N+](=O)[O-])c1 ZINC000224874059 571625623 /nfs/dbraw/zinc/62/56/23/571625623.db2.gz MLOUFHZTASOQJR-CLJLJLNGSA-N 0 0 550.040 5.942 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1C ZINC000224874341 571625685 /nfs/dbraw/zinc/62/56/85/571625685.db2.gz SBSOWQIIKPIOBI-UIOOFZCWSA-N 0 0 523.489 6.987 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874915 571625711 /nfs/dbraw/zinc/62/57/11/571625711.db2.gz OVQSBCSGMMUNFF-IXCJQBJRSA-N 0 0 517.098 6.896 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224890184 571627167 /nfs/dbraw/zinc/62/71/67/571627167.db2.gz GNIPFENVLQSXHY-IHLOFXLRSA-N 0 0 541.696 5.950 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224894071 571627528 /nfs/dbraw/zinc/62/75/28/571627528.db2.gz MNVQATSLXXYKTN-IZZNHLLZSA-N 0 0 507.034 6.473 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901608 571628279 /nfs/dbraw/zinc/62/82/79/571628279.db2.gz NHNXOWFAQCYHEJ-IHLOFXLRSA-N 0 0 527.713 6.960 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224903693 571628462 /nfs/dbraw/zinc/62/84/62/571628462.db2.gz JPKYPTKETPYHQT-RRPNLBNLSA-N 0 0 505.062 7.076 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224904085 571628492 /nfs/dbraw/zinc/62/84/92/571628492.db2.gz SUUNDRRGZUDPDF-SVBPBHIXSA-N 0 0 521.061 6.776 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224916088 571629529 /nfs/dbraw/zinc/62/95/29/571629529.db2.gz LQWGKIKYEBRWNY-RRPNLBNLSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1Br ZINC000224920745 571630067 /nfs/dbraw/zinc/63/00/67/571630067.db2.gz YZLCOOABFGFJCB-FTJBHMTQSA-N 0 0 533.539 6.961 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccn1 ZINC000224922036 571630179 /nfs/dbraw/zinc/63/01/79/571630179.db2.gz JUPRLZZWXRRXOQ-RPBOFIJWSA-N 0 0 518.484 6.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224926769 571630749 /nfs/dbraw/zinc/63/07/49/571630749.db2.gz WBPZZQVWMZDTTG-XZWHSSHBSA-N 0 0 567.556 7.890 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1 ZINC000224927288 571630783 /nfs/dbraw/zinc/63/07/83/571630783.db2.gz CZOILTCEQVADSX-IZZNHLLZSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224928026 571630899 /nfs/dbraw/zinc/63/08/99/571630899.db2.gz WNEZUEVSKWUFQM-IZZNHLLZSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224928700 571630962 /nfs/dbraw/zinc/63/09/62/571630962.db2.gz WOPHHFTWRDBZFJ-IZZNHLLZSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224931352 571631186 /nfs/dbraw/zinc/63/11/86/571631186.db2.gz NZVKUXLSXMSHGZ-NSOVKSMOSA-N 0 0 560.565 6.803 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1C ZINC000224932030 571631270 /nfs/dbraw/zinc/63/12/70/571631270.db2.gz LLERKOUIMFAXDQ-NSOVKSMOSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224932634 571631306 /nfs/dbraw/zinc/63/13/06/571631306.db2.gz KFJBAKAARMPASZ-SXOMAYOGSA-N 0 0 561.505 6.466 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224933873 571631476 /nfs/dbraw/zinc/63/14/76/571631476.db2.gz PIFQNVPEUIFWNZ-SXOMAYOGSA-N 0 0 581.967 7.399 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224934480 571631510 /nfs/dbraw/zinc/63/15/10/571631510.db2.gz OYECIHJNQCNVGX-UIOOFZCWSA-N 0 0 532.511 6.441 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224945546 571632606 /nfs/dbraw/zinc/63/26/06/571632606.db2.gz SQAANXABNHURJE-RRPNLBNLSA-N 0 0 575.532 6.524 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224945506 571632635 /nfs/dbraw/zinc/63/26/35/571632635.db2.gz SQAANXABNHURJE-SXOMAYOGSA-N 0 0 575.532 6.524 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000224950392 571633082 /nfs/dbraw/zinc/63/30/82/571633082.db2.gz NWNXHPVGJZDYQX-UIOOFZCWSA-N 0 0 539.532 7.206 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224956969 571633660 /nfs/dbraw/zinc/63/36/60/571633660.db2.gz WWLJGJNXGPOLFN-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224957063 571633677 /nfs/dbraw/zinc/63/36/77/571633677.db2.gz HNSZLADXENJHMB-SVBPBHIXSA-N 0 0 503.071 6.637 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224957824 571633720 /nfs/dbraw/zinc/63/37/20/571633720.db2.gz CMICWIGXZLOYSX-WUFINQPMSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224957604 571633722 /nfs/dbraw/zinc/63/37/22/571633722.db2.gz VQDIVTGPFQXQOH-IZLXSDGUSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224957685 571633731 /nfs/dbraw/zinc/63/37/31/571633731.db2.gz VQDIVTGPFQXQOH-NSOVKSMOSA-N 0 0 517.098 6.891 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224958883 571633824 /nfs/dbraw/zinc/63/38/24/571633824.db2.gz ZPBLOWXQOBNKMN-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224959277 571633866 /nfs/dbraw/zinc/63/38/66/571633866.db2.gz UWPGIDXEXYNVDP-UIOOFZCWSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000224959787 571633932 /nfs/dbraw/zinc/63/39/32/571633932.db2.gz RIXMUCCUYVYFPQ-KAYWLYCHSA-N 0 0 519.070 6.337 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960828 571634105 /nfs/dbraw/zinc/63/41/05/571634105.db2.gz KWHZAGNYQVHBLM-LOYHVIPDSA-N 0 0 560.167 7.174 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000224962168 571634270 /nfs/dbraw/zinc/63/42/70/571634270.db2.gz ZNGUPAXNSTWLSD-KAYWLYCHSA-N 0 0 533.053 6.057 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)c([N+](=O)[O-])c1 ZINC000224962743 571634321 /nfs/dbraw/zinc/63/43/21/571634321.db2.gz JKCIUWNJPVESRG-KAYWLYCHSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224962930 571634386 /nfs/dbraw/zinc/63/43/86/571634386.db2.gz LWQPIDGSHUZBHY-SVBPBHIXSA-N 0 0 537.516 7.290 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224963518 571634437 /nfs/dbraw/zinc/63/44/37/571634437.db2.gz WEZTZFVFSXKUMI-RRPNLBNLSA-N 0 0 564.067 6.245 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224963818 571634457 /nfs/dbraw/zinc/63/44/57/571634457.db2.gz XVHXSPUZWSPSOJ-FTJBHMTQSA-N 0 0 504.059 6.032 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224963866 571634460 /nfs/dbraw/zinc/63/44/60/571634460.db2.gz XVHXSPUZWSPSOJ-IZZNHLLZSA-N 0 0 504.059 6.032 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224964254 571634503 /nfs/dbraw/zinc/63/45/03/571634503.db2.gz HZBNJEZBWBKVCB-CLJLJLNGSA-N 0 0 504.059 6.032 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224974645 571635454 /nfs/dbraw/zinc/63/54/54/571635454.db2.gz BYWMWKRKGBOTGX-SXOMAYOGSA-N 0 0 547.080 6.115 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224986539 571636506 /nfs/dbraw/zinc/63/65/06/571636506.db2.gz NIIXQAYNTDODNL-JHOUSYSJSA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224986202 571636514 /nfs/dbraw/zinc/63/65/14/571636514.db2.gz ODKXFSIFXRPHLL-IOWSJCHKSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224987557 571636595 /nfs/dbraw/zinc/63/65/95/571636595.db2.gz VBIQPXCEGLVXKS-JSOSNVBQSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000224987597 571636657 /nfs/dbraw/zinc/63/66/57/571636657.db2.gz VBIQPXCEGLVXKS-IOWSJCHKSA-N 0 0 590.624 8.209 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000224987965 571636679 /nfs/dbraw/zinc/63/66/79/571636679.db2.gz UQJKHYYWPLQZQU-CONSDPRKSA-N 0 0 635.075 8.318 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989653 571636867 /nfs/dbraw/zinc/63/68/67/571636867.db2.gz CIMZTTXDSFUCPH-PXLJZGITSA-N 0 0 627.302 8.402 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224991158 571637072 /nfs/dbraw/zinc/63/70/72/571637072.db2.gz GSLDPSGGNOCLIX-ACHIHNKUSA-N 0 0 604.651 8.518 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224991260 571637085 /nfs/dbraw/zinc/63/70/85/571637085.db2.gz CHGOWMBLEYRQFH-ZWXJPIIXSA-N 0 0 631.202 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224992400 571637200 /nfs/dbraw/zinc/63/72/00/571637200.db2.gz FMHXYMXELAATOA-JSOSNVBQSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000224992826 571637273 /nfs/dbraw/zinc/63/72/73/571637273.db2.gz OAJAYAJNUIGOGQ-CONSDPRKSA-N 0 0 571.194 7.259 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000225003182 571638214 /nfs/dbraw/zinc/63/82/14/571638214.db2.gz OYRRLFMWCSGQOH-ZWXJPIIXSA-N 0 0 614.215 7.343 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225044647 571641602 /nfs/dbraw/zinc/64/16/02/571641602.db2.gz WEDLDDXUEFQMSZ-IZLXSDGUSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225044473 571641607 /nfs/dbraw/zinc/64/16/07/571641607.db2.gz DMMQIENICMEKPX-IZLXSDGUSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225046647 571641829 /nfs/dbraw/zinc/64/18/29/571641829.db2.gz SNTVLUXXIPCMDY-VSGBNLITSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225048143 571642039 /nfs/dbraw/zinc/64/20/39/571642039.db2.gz RJAKRBPKKQDRHZ-VMPREFPWSA-N 0 0 530.141 6.926 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225048564 571642106 /nfs/dbraw/zinc/64/21/06/571642106.db2.gz XDYMUGZCNWZOOX-WDYNHAJCSA-N 0 0 530.141 6.926 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049039 571642119 /nfs/dbraw/zinc/64/21/19/571642119.db2.gz XLRDKZUDYKQYHM-FQLXRVMXSA-N 0 0 556.692 5.881 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225064110 571643418 /nfs/dbraw/zinc/64/34/18/571643418.db2.gz VEWNTPCFGQINHA-PQQNNWGCSA-N 0 0 658.828 6.520 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000225066245 571643609 /nfs/dbraw/zinc/64/36/09/571643609.db2.gz WZCJKSQEUJRSGO-ACHIHNKUSA-N 0 0 574.710 6.079 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000225071447 571644107 /nfs/dbraw/zinc/64/41/07/571644107.db2.gz KOQUIIWNMWOBFJ-LQJZCPKCSA-N 0 0 573.722 6.684 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000225072658 571644195 /nfs/dbraw/zinc/64/41/95/571644195.db2.gz UCVMBYYNNRICJF-JHOUSYSJSA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225073277 571644296 /nfs/dbraw/zinc/64/42/96/571644296.db2.gz OHJCWHDTRGDZSB-CZNDPXEESA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000225073722 571644390 /nfs/dbraw/zinc/64/43/90/571644390.db2.gz YBFNCITXGMYRGV-LQJZCPKCSA-N 0 0 652.618 7.446 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225074433 571644399 /nfs/dbraw/zinc/64/43/99/571644399.db2.gz GDPPZTDYPJDXAY-KKLWWLSJSA-N 0 0 603.748 6.692 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1O ZINC000225074166 571644438 /nfs/dbraw/zinc/64/44/38/571644438.db2.gz YODMGWUTBYENAJ-JHOUSYSJSA-N 0 0 589.721 6.389 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225076952 571644714 /nfs/dbraw/zinc/64/47/14/571644714.db2.gz FHCXOSOQEWPDPZ-PUDHBBIYSA-N 0 0 615.803 7.609 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225078487 571644899 /nfs/dbraw/zinc/64/48/99/571644899.db2.gz VVZYYRJPIYNAKQ-LQJZCPKCSA-N 0 0 588.737 6.387 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225088800 571646187 /nfs/dbraw/zinc/64/61/87/571646187.db2.gz DQBRXXXJXQAFSU-SAIUNTKASA-N 0 0 589.721 6.384 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225092943 571646604 /nfs/dbraw/zinc/64/66/04/571646604.db2.gz XMAHUKHAFTXWHV-WDYNHAJCSA-N 0 0 621.729 7.678 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225097025 571646890 /nfs/dbraw/zinc/64/68/90/571646890.db2.gz WQSAMEZNAHEEEY-VMPREFPWSA-N 0 0 604.176 7.018 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225097094 571646915 /nfs/dbraw/zinc/64/69/15/571646915.db2.gz WQSAMEZNAHEEEY-URLMMPGGSA-N 0 0 604.176 7.018 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100351 571647218 /nfs/dbraw/zinc/64/72/18/571647218.db2.gz RLCGNVXRHWLHTJ-WDYNHAJCSA-N 0 0 553.732 6.659 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102063 571647339 /nfs/dbraw/zinc/64/73/39/571647339.db2.gz LVPGEZUYUOPDKI-WDYNHAJCSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102133 571647427 /nfs/dbraw/zinc/64/74/27/571647427.db2.gz LVPGEZUYUOPDKI-FQLXRVMXSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225103541 571647508 /nfs/dbraw/zinc/64/75/08/571647508.db2.gz VLJYOSXTYCROMZ-LOYHVIPDSA-N 0 0 583.758 6.668 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103280 571647521 /nfs/dbraw/zinc/64/75/21/571647521.db2.gz KUMWXVXBNXBYHN-URLMMPGGSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104263 571647597 /nfs/dbraw/zinc/64/75/97/571647597.db2.gz RJYROHMPFXIZQC-JSOSNVBQSA-N 0 0 596.801 6.725 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104395 571647623 /nfs/dbraw/zinc/64/76/23/571647623.db2.gz YXEWHFMPPYBHCB-CZNDPXEESA-N 0 0 624.855 7.506 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104469 571647678 /nfs/dbraw/zinc/64/76/78/571647678.db2.gz YXEWHFMPPYBHCB-JHOUSYSJSA-N 0 0 624.855 7.506 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105264 571647728 /nfs/dbraw/zinc/64/77/28/571647728.db2.gz ODMYWESHPJYJLG-SMCANUKXSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105845 571647787 /nfs/dbraw/zinc/64/77/87/571647787.db2.gz FUICUECGQDAEGZ-XDFJSJKPSA-N 0 0 595.813 7.585 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107010 571647933 /nfs/dbraw/zinc/64/79/33/571647933.db2.gz WHSQUHBFGKJNTR-IHLOFXLRSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225107770 571648006 /nfs/dbraw/zinc/64/80/06/571648006.db2.gz YBRMCQBCHNMGEB-FQLXRVMXSA-N 0 0 568.747 6.363 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225118602 571649232 /nfs/dbraw/zinc/64/92/32/571649232.db2.gz AQVPDQJHLIMNAZ-LOYHVIPDSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000225124122 571649740 /nfs/dbraw/zinc/64/97/40/571649740.db2.gz NTOLNBDLQLWXNX-KAYWLYCHSA-N 0 0 545.112 6.309 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000225129259 571650106 /nfs/dbraw/zinc/65/01/06/571650106.db2.gz BFZIWDNYLDCVFF-URLMMPGGSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000225130781 571650262 /nfs/dbraw/zinc/65/02/62/571650262.db2.gz ITGPJBWXIGYXSQ-NSOVKSMOSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000225133714 571650484 /nfs/dbraw/zinc/65/04/84/571650484.db2.gz ISTHEBHPGULBDY-KYJUHHDHSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225134147 571650489 /nfs/dbraw/zinc/65/04/89/571650489.db2.gz MDRHCQPEVUTJAT-URLMMPGGSA-N 0 0 588.133 6.643 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225134079 571650510 /nfs/dbraw/zinc/65/05/10/571650510.db2.gz MDRHCQPEVUTJAT-FQLXRVMXSA-N 0 0 588.133 6.643 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccc1C ZINC000225133675 571650518 /nfs/dbraw/zinc/65/05/18/571650518.db2.gz ISTHEBHPGULBDY-XZWHSSHBSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225133928 571650519 /nfs/dbraw/zinc/65/05/19/571650519.db2.gz FTANXPZGMBNMGA-LOYHVIPDSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225134386 571650570 /nfs/dbraw/zinc/65/05/70/571650570.db2.gz PSAFOTDXJGTQJE-FQLXRVMXSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000225134952 571650599 /nfs/dbraw/zinc/65/05/99/571650599.db2.gz MEZOQIYELGTCBD-URLMMPGGSA-N 0 0 592.596 7.876 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135244 571650636 /nfs/dbraw/zinc/65/06/36/571650636.db2.gz JRNHQBUCMFPFBB-WDYNHAJCSA-N 0 0 608.595 7.576 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000225135911 571650708 /nfs/dbraw/zinc/65/07/08/571650708.db2.gz HFWJVDXELTXZGV-SVBPBHIXSA-N 0 0 559.139 6.618 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000225136076 571650763 /nfs/dbraw/zinc/65/07/63/571650763.db2.gz OASRJNHRDMGXJT-NSOVKSMOSA-N 0 0 559.139 6.618 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225149830 571652351 /nfs/dbraw/zinc/65/23/51/571652351.db2.gz WROYKPBIINYBEH-CZNDPXEESA-N 0 0 594.785 6.160 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C ZINC000225149797 571652389 /nfs/dbraw/zinc/65/23/89/571652389.db2.gz WROYKPBIINYBEH-JHOUSYSJSA-N 0 0 594.785 6.160 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000225151813 571652556 /nfs/dbraw/zinc/65/25/56/571652556.db2.gz IEYGCCPGLBLJMW-IZLXSDGUSA-N 0 0 510.667 5.718 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1C ZINC000225156157 571652961 /nfs/dbraw/zinc/65/29/61/571652961.db2.gz TVBFCTXPIZTWSE-JHOUSYSJSA-N 0 0 559.739 7.476 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1C ZINC000225157493 571653082 /nfs/dbraw/zinc/65/30/82/571653082.db2.gz NOFLOFHJPRPZDC-IOWSJCHKSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C ZINC000225158072 571653124 /nfs/dbraw/zinc/65/31/24/571653124.db2.gz QDZXQSVSHWXPNI-FQLXRVMXSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C ZINC000225158707 571653193 /nfs/dbraw/zinc/65/31/93/571653193.db2.gz HMVFWNOXIFOHSD-WDYNHAJCSA-N 0 0 544.124 6.977 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225159913 571653268 /nfs/dbraw/zinc/65/32/68/571653268.db2.gz TZKQHYWXVVDXRK-XZWHSSHBSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225161228 571653392 /nfs/dbraw/zinc/65/33/92/571653392.db2.gz IIUHWRCWEHELQS-CONSDPRKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C ZINC000225161653 571653439 /nfs/dbraw/zinc/65/34/39/571653439.db2.gz ZKZJRDIWMQJXFK-IGYGKHONSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225161748 571653461 /nfs/dbraw/zinc/65/34/61/571653461.db2.gz KECXREDHFFHQRN-CONSDPRKSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225163308 571653601 /nfs/dbraw/zinc/65/36/01/571653601.db2.gz ZCNFFDDRTDHNMM-KYJUHHDHSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225173696 571654514 /nfs/dbraw/zinc/65/45/14/571654514.db2.gz ROJIVAPDRHUTIG-VMPREFPWSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OC ZINC000225177866 571654908 /nfs/dbraw/zinc/65/49/08/571654908.db2.gz IPDWAVLNMLOEHV-FQLXRVMXSA-N 0 0 593.675 7.042 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000225184956 571655695 /nfs/dbraw/zinc/65/56/95/571655695.db2.gz DKUUJVJMYVOZPP-WDYNHAJCSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000225184918 571655705 /nfs/dbraw/zinc/65/57/05/571655705.db2.gz DKUUJVJMYVOZPP-VMPREFPWSA-N 0 0 525.678 6.023 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC ZINC000225185510 571655708 /nfs/dbraw/zinc/65/57/08/571655708.db2.gz DBGCQOJSAWJJLM-LOYHVIPDSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1OC ZINC000225185181 571655715 /nfs/dbraw/zinc/65/57/15/571655715.db2.gz MCEJQMWAUZFQTA-LOYHVIPDSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC ZINC000225185411 571655743 /nfs/dbraw/zinc/65/57/43/571655743.db2.gz DBGCQOJSAWJJLM-KYJUHHDHSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC ZINC000225186721 571655893 /nfs/dbraw/zinc/65/58/93/571655893.db2.gz DMMYNOARRHUTCB-WDYNHAJCSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1OC ZINC000225187793 571655964 /nfs/dbraw/zinc/65/59/64/571655964.db2.gz AZTUBOINVLAWNV-URLMMPGGSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1OC ZINC000225187656 571655979 /nfs/dbraw/zinc/65/59/79/571655979.db2.gz NBMLQHXNCJSOLO-FQLXRVMXSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC ZINC000225187453 571656000 /nfs/dbraw/zinc/65/60/00/571656000.db2.gz BWAZRMMKZVMJQS-URLMMPGGSA-N 0 0 604.574 6.786 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1OC ZINC000225187757 571656009 /nfs/dbraw/zinc/65/60/09/571656009.db2.gz AZTUBOINVLAWNV-WDYNHAJCSA-N 0 0 541.677 5.729 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OC ZINC000225188110 571656026 /nfs/dbraw/zinc/65/60/26/571656026.db2.gz FOGGGFCWIZTLMA-XZWHSSHBSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC ZINC000225189364 571656156 /nfs/dbraw/zinc/65/61/56/571656156.db2.gz KLKMWQWPYMFIKZ-FQLXRVMXSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC ZINC000225190764 571656275 /nfs/dbraw/zinc/65/62/75/571656275.db2.gz KUZXFVSHRPDWQS-LOYHVIPDSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1OC ZINC000225191393 571656411 /nfs/dbraw/zinc/65/64/11/571656411.db2.gz IQWDWYUYUQQPEI-IHLOFXLRSA-N 0 0 590.149 6.685 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1OC ZINC000225201793 571657417 /nfs/dbraw/zinc/65/74/17/571657417.db2.gz PFMVHZZHMVXEFQ-NSOVKSMOSA-N 0 0 511.651 5.715 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000225213550 571658507 /nfs/dbraw/zinc/65/85/07/571658507.db2.gz QWCYHHMFWYQOOQ-VMPREFPWSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1 ZINC000225213491 571658523 /nfs/dbraw/zinc/65/85/23/571658523.db2.gz HBAJUSCWEBOWTC-FQLXRVMXSA-N 0 0 525.678 5.560 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225214064 571658550 /nfs/dbraw/zinc/65/85/50/571658550.db2.gz GARRWBVYPVOFDP-LOYHVIPDSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000225213929 571658568 /nfs/dbraw/zinc/65/85/68/571658568.db2.gz YNCZMTIJYOSWMO-IZLXSDGUSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000225213896 571658574 /nfs/dbraw/zinc/65/85/74/571658574.db2.gz YNCZMTIJYOSWMO-NSOVKSMOSA-N 0 0 579.648 6.270 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1 ZINC000225214577 571658587 /nfs/dbraw/zinc/65/85/87/571658587.db2.gz AHWJACQDLJJXNV-NSOVKSMOSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1 ZINC000225214623 571658634 /nfs/dbraw/zinc/65/86/34/571658634.db2.gz AHWJACQDLJJXNV-IZLXSDGUSA-N 0 0 529.641 5.390 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000225215306 571658685 /nfs/dbraw/zinc/65/86/85/571658685.db2.gz GBOHRJBWQUUQHQ-IZLXSDGUSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000225215346 571658727 /nfs/dbraw/zinc/65/87/27/571658727.db2.gz GBOHRJBWQUUQHQ-WUFINQPMSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000225217518 571658951 /nfs/dbraw/zinc/65/89/51/571658951.db2.gz QSYSPTQFCQABSA-NSOVKSMOSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000225218288 571659056 /nfs/dbraw/zinc/65/90/56/571659056.db2.gz GWMPTLZDUVONHI-MFMCTBQISA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 ZINC000225218326 571659059 /nfs/dbraw/zinc/65/90/59/571659059.db2.gz GWMPTLZDUVONHI-PQHLKRTFSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000225219240 571659161 /nfs/dbraw/zinc/65/91/61/571659161.db2.gz SJWWGHUZRPQEKF-VMPREFPWSA-N 0 0 586.674 5.168 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000225230685 571660483 /nfs/dbraw/zinc/66/04/83/571660483.db2.gz FZRXHHOTGJJITL-FQLXRVMXSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000225240557 571661507 /nfs/dbraw/zinc/66/15/07/571661507.db2.gz JTBYYSYAFXXQMG-ACHIHNKUSA-N 0 0 596.156 7.058 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000225241315 571661630 /nfs/dbraw/zinc/66/16/30/571661630.db2.gz KLNZMBMRQMMWBV-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000225243127 571661858 /nfs/dbraw/zinc/66/18/58/571661858.db2.gz RSHKDZOEUUNGFI-VSGBNLITSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1Cl ZINC000225246568 571662170 /nfs/dbraw/zinc/66/21/70/571662170.db2.gz GYDSQYPJZHCWDU-VMPREFPWSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1Cl ZINC000225247347 571662266 /nfs/dbraw/zinc/66/22/66/571662266.db2.gz KCKKAQUEHPXJQI-FQLXRVMXSA-N 0 0 610.567 6.567 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000225247721 571662290 /nfs/dbraw/zinc/66/22/90/571662290.db2.gz NRDANOOPJLBGMV-NSOVKSMOSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl ZINC000225257200 571663311 /nfs/dbraw/zinc/66/33/11/571663311.db2.gz AQHMJWJLXCNGRT-SVBPBHIXSA-N 0 0 532.069 5.596 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1Cl ZINC000225258022 571663404 /nfs/dbraw/zinc/66/34/04/571663404.db2.gz JGUFMEXTCQVDTB-VMPREFPWSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000225257800 571663419 /nfs/dbraw/zinc/66/34/19/571663419.db2.gz BJYUOIYGFKTVRF-FQLXRVMXSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000225257965 571663424 /nfs/dbraw/zinc/66/34/24/571663424.db2.gz KFLZVXZLKTWUGW-FQLXRVMXSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225267995 571664664 /nfs/dbraw/zinc/66/46/64/571664664.db2.gz SWZNXZANJWHZIN-LOYHVIPDSA-N 0 0 539.705 5.868 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225268435 571664739 /nfs/dbraw/zinc/66/47/39/571664739.db2.gz ROGDLOHSNZJYKW-IOWSJCHKSA-N 0 0 553.732 6.122 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225268401 571664742 /nfs/dbraw/zinc/66/47/42/571664742.db2.gz ROGDLOHSNZJYKW-JSOSNVBQSA-N 0 0 553.732 6.122 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225270004 571664908 /nfs/dbraw/zinc/66/49/08/571664908.db2.gz MAWQZTICZKGTSI-FQLXRVMXSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225270364 571664944 /nfs/dbraw/zinc/66/49/44/571664944.db2.gz NBACDUAQUABRMR-KYJUHHDHSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225271908 571665122 /nfs/dbraw/zinc/66/51/22/571665122.db2.gz GMKHLACMFLJUGF-IOWSJCHKSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1C ZINC000225272215 571665165 /nfs/dbraw/zinc/66/51/65/571665165.db2.gz VKOIDSNUIWQIGU-JSOSNVBQSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1C ZINC000225272876 571665236 /nfs/dbraw/zinc/66/52/36/571665236.db2.gz WKTMAHPUPBOCKJ-IHLOFXLRSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C ZINC000225273270 571665291 /nfs/dbraw/zinc/66/52/91/571665291.db2.gz JHZHXKIWYCDEOR-LOYHVIPDSA-N 0 0 574.150 6.521 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225274062 571665355 /nfs/dbraw/zinc/66/53/55/571665355.db2.gz BZLOMYFRIMBESM-FQLXRVMXSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225284269 571666403 /nfs/dbraw/zinc/66/64/03/571666403.db2.gz ABYHUVHJVZDBMG-LOYHVIPDSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1C ZINC000225284200 571666404 /nfs/dbraw/zinc/66/64/04/571666404.db2.gz ABYHUVHJVZDBMG-IHLOFXLRSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1OC ZINC000225288077 571666860 /nfs/dbraw/zinc/66/68/60/571666860.db2.gz UMIRFYCPCIGMEI-VMPREFPWSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1OC ZINC000225294804 571667751 /nfs/dbraw/zinc/66/77/51/571667751.db2.gz LZWXMTOADDPLIQ-IHLOFXLRSA-N 0 0 555.704 5.568 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225295182 571667766 /nfs/dbraw/zinc/66/77/66/571667766.db2.gz RFZDQRYFEPGDAV-CONSDPRKSA-N 0 0 569.731 5.822 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(=O)COC)c2)c1C ZINC000225295081 571667801 /nfs/dbraw/zinc/66/78/01/571667801.db2.gz RFZDQRYFEPGDAV-FIRIVFDPSA-N 0 0 569.731 5.822 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1OC ZINC000225295376 571667851 /nfs/dbraw/zinc/66/78/51/571667851.db2.gz MUUXASTUZDLSPZ-VMPREFPWSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1OC ZINC000225296013 571667957 /nfs/dbraw/zinc/66/79/57/571667957.db2.gz AAQUULIWWSUTDJ-VMPREFPWSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1OC ZINC000225296606 571668111 /nfs/dbraw/zinc/66/81/11/571668111.db2.gz FXQJFFQATMESEK-IHLOFXLRSA-N 0 0 571.703 5.268 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1OC ZINC000225297094 571668144 /nfs/dbraw/zinc/66/81/44/571668144.db2.gz HFRRUIYCIOHXKU-JSOSNVBQSA-N 0 0 584.746 5.326 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1OC ZINC000225298905 571668423 /nfs/dbraw/zinc/66/84/23/571668423.db2.gz XOSZPNMYKPRQQT-IOWSJCHKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1OC ZINC000225299554 571668519 /nfs/dbraw/zinc/66/85/19/571668519.db2.gz RGQYTLCXXJBYKD-LOYHVIPDSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)ccc1OC ZINC000225309046 571669786 /nfs/dbraw/zinc/66/97/86/571669786.db2.gz SSMNXJGKJWQANW-KYJUHHDHSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1NC(C)=O ZINC000225318184 571672275 /nfs/dbraw/zinc/67/22/75/571672275.db2.gz IUBSBZSNTMBFGF-VSGBNLITSA-N 0 0 511.651 5.633 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225319010 571672804 /nfs/dbraw/zinc/67/28/04/571672804.db2.gz IZZOMPYMHOSSHG-XZWHSSHBSA-N 0 0 539.705 6.196 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225318986 571672808 /nfs/dbraw/zinc/67/28/08/571672808.db2.gz IZZOMPYMHOSSHG-IHLOFXLRSA-N 0 0 539.705 6.196 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225318922 571672903 /nfs/dbraw/zinc/67/29/03/571672903.db2.gz YFFMXYWDOGDUJG-KYJUHHDHSA-N 0 0 539.705 6.196 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NC(C)=O ZINC000225319714 571673924 /nfs/dbraw/zinc/67/39/24/571673924.db2.gz BMKDNUZRJAIACL-WUFINQPMSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NC(C)=O ZINC000225319694 571673962 /nfs/dbraw/zinc/67/39/62/571673962.db2.gz BMKDNUZRJAIACL-IZLXSDGUSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NC(C)=O ZINC000225319955 571674861 /nfs/dbraw/zinc/67/48/61/571674861.db2.gz JRIQDACOPIVELN-WUFINQPMSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NC(C)=O ZINC000225320034 571674895 /nfs/dbraw/zinc/67/48/95/571674895.db2.gz JIFZLPDBHLVAFW-VSGBNLITSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NC(C)=O ZINC000225321133 571676309 /nfs/dbraw/zinc/67/63/09/571676309.db2.gz YXOMIBFUPUCIGE-NSOVKSMOSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NC(C)=O ZINC000225321236 571676869 /nfs/dbraw/zinc/67/68/69/571676869.db2.gz YXOMIBFUPUCIGE-VSGBNLITSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NC(C)=O ZINC000225322254 571678032 /nfs/dbraw/zinc/67/80/32/571678032.db2.gz WVCYBQJTBUKGAT-WDYNHAJCSA-N 0 0 560.123 6.595 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225322571 571678063 /nfs/dbraw/zinc/67/80/63/571678063.db2.gz FFPGGKADXNEYRM-WDYNHAJCSA-N 0 0 586.674 5.550 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NC(C)=O ZINC000225322443 571678149 /nfs/dbraw/zinc/67/81/49/571678149.db2.gz QZQPUVJWDUQXSB-URLMMPGGSA-N 0 0 586.674 5.550 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225323379 571679541 /nfs/dbraw/zinc/67/95/41/571679541.db2.gz VRTXBZODWJPAPV-IGYGKHONSA-N 0 0 553.732 6.504 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225332839 571690942 /nfs/dbraw/zinc/69/09/42/571690942.db2.gz HWFYVSKRXXVCND-VMPREFPWSA-N 0 0 569.687 5.420 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225332985 571690990 /nfs/dbraw/zinc/69/09/90/571690990.db2.gz UMBVASMQQGJAOT-VMPREFPWSA-N 0 0 569.687 5.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225336010 571694133 /nfs/dbraw/zinc/69/41/33/571694133.db2.gz JWJPZLRBAPGARS-WUFINQPMSA-N 0 0 550.650 7.472 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225342117 571701231 /nfs/dbraw/zinc/70/12/31/571701231.db2.gz IVOFIGTXHDLSKI-ROJLCIKYSA-N 0 0 532.713 7.607 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1F ZINC000225343803 571702826 /nfs/dbraw/zinc/70/28/26/571702826.db2.gz OCPHJFDVSGDMSK-WUFINQPMSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225343910 571703495 /nfs/dbraw/zinc/70/34/95/571703495.db2.gz HAAQTHDJNJSANU-IZLXSDGUSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225344809 571704763 /nfs/dbraw/zinc/70/47/63/571704763.db2.gz XNFXFYAMNQHDHD-NSOVKSMOSA-N 0 0 561.549 7.216 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225346532 571706369 /nfs/dbraw/zinc/70/63/69/571706369.db2.gz YHYAFIJHPRRQCC-WUFINQPMSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225346701 571707029 /nfs/dbraw/zinc/70/70/29/571707029.db2.gz CUJGRHHOJNGWNR-WUFINQPMSA-N 0 0 551.543 7.760 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225347107 571707685 /nfs/dbraw/zinc/70/76/85/571707685.db2.gz XLUXJSQBKSDODB-PQHLKRTFSA-N 0 0 510.707 7.070 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348042 571708927 /nfs/dbraw/zinc/70/89/27/571708927.db2.gz LFJDHRYBBYZWOX-VMPREFPWSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225348148 571709001 /nfs/dbraw/zinc/70/90/01/571709001.db2.gz QEKIOUQVVMQODX-URLMMPGGSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348808 571709566 /nfs/dbraw/zinc/70/95/66/571709566.db2.gz UWYGCEVWHVZFPK-URLMMPGGSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348776 571709641 /nfs/dbraw/zinc/70/96/41/571709641.db2.gz UWYGCEVWHVZFPK-WDYNHAJCSA-N 0 0 557.676 6.370 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348610 571709737 /nfs/dbraw/zinc/70/97/37/571709737.db2.gz DBAJMQDTORPENT-WDYNHAJCSA-N 0 0 547.124 7.115 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccn1 ZINC000225364200 571726696 /nfs/dbraw/zinc/72/66/96/571726696.db2.gz MOCUVWKDVGYAMX-WDYNHAJCSA-N 0 0 509.679 6.383 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C ZINC000225368629 571733499 /nfs/dbraw/zinc/73/34/99/571733499.db2.gz AWXOUUQCBLEQJB-FIRIVFDPSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225368993 571733567 /nfs/dbraw/zinc/73/35/67/571733567.db2.gz HGJMKMCRVAGRGP-IOWSJCHKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225369755 571734614 /nfs/dbraw/zinc/73/46/14/571734614.db2.gz GVLKINLYPAGEKZ-XZWHSSHBSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225370258 571735142 /nfs/dbraw/zinc/73/51/42/571735142.db2.gz VPPFDBKAEOVBDP-KYJUHHDHSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1O ZINC000225371020 571735970 /nfs/dbraw/zinc/73/59/70/571735970.db2.gz JMVMMEUYKXNKLZ-KYJUHHDHSA-N 0 0 524.690 6.693 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372113 571737401 /nfs/dbraw/zinc/73/74/01/571737401.db2.gz IQFWKVICFRMLHW-KKLWWLSJSA-N 0 0 579.814 7.834 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225371999 571737586 /nfs/dbraw/zinc/73/75/86/571737586.db2.gz HOVZVNPGIPVKTA-ZWXJPIIXSA-N 0 0 551.760 7.054 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225373288 571738949 /nfs/dbraw/zinc/73/89/49/571738949.db2.gz QVSHFLTXSUVSTI-ZQWAWDFXSA-N 0 0 550.772 7.913 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225373057 571739149 /nfs/dbraw/zinc/73/91/49/571739149.db2.gz QAIWKJAOUGHJNK-AJQTZOPKSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225373318 571739230 /nfs/dbraw/zinc/73/92/30/571739230.db2.gz QVSHFLTXSUVSTI-VTIYRKAUSA-N 0 0 550.772 7.913 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225373682 571739544 /nfs/dbraw/zinc/73/95/44/571739544.db2.gz WMBWLEYANXXEBN-CONSDPRKSA-N 0 0 583.714 6.904 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225374960 571741065 /nfs/dbraw/zinc/74/10/65/571741065.db2.gz FRRGEPUAANFGOA-XZWHSSHBSA-N 0 0 523.706 6.691 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000260851076 571751338 /nfs/dbraw/zinc/75/13/38/571751338.db2.gz DKYSMPBHEXMEDH-FTJBHMTQSA-N 0 0 568.168 5.915 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1NS(C)(=O)=O ZINC000260851220 571751446 /nfs/dbraw/zinc/75/14/46/571751446.db2.gz KMXAKVYJRISFHL-RRPNLBNLSA-N 0 0 598.194 5.924 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225383110 571751581 /nfs/dbraw/zinc/75/15/81/571751581.db2.gz QJWFSMVAQXCJLB-JSOSNVBQSA-N 0 0 566.727 6.774 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NS(C)(=O)=O ZINC000260851297 571752023 /nfs/dbraw/zinc/75/20/23/571752023.db2.gz NHUXYZFWZYHOEJ-KAYWLYCHSA-N 0 0 563.749 5.271 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260852660 571753541 /nfs/dbraw/zinc/75/35/41/571753541.db2.gz WBPGHEPUOPPMHQ-XZWHSSHBSA-N 0 0 524.734 7.212 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000225393443 571762383 /nfs/dbraw/zinc/76/23/83/571762383.db2.gz MBPYAGCFTRGTKA-SVBPBHIXSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000225393539 571762442 /nfs/dbraw/zinc/76/24/42/571762442.db2.gz PNHOBFXBGUHPJZ-SXOMAYOGSA-N 0 0 531.707 5.346 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225394300 571763435 /nfs/dbraw/zinc/76/34/35/571763435.db2.gz GCPXUFHVYNJXEY-IZLXSDGUSA-N 0 0 545.734 5.600 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000225394673 571763790 /nfs/dbraw/zinc/76/37/90/571763790.db2.gz ZYARCDUEKKKSNU-FTJBHMTQSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl ZINC000225395102 571764548 /nfs/dbraw/zinc/76/45/48/571764548.db2.gz ADWOVFGJRLFCTL-UIOOFZCWSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225395427 571764641 /nfs/dbraw/zinc/76/46/41/571764641.db2.gz BYAGOOGOESXLGP-IZZNHLLZSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 ZINC000225395734 571764645 /nfs/dbraw/zinc/76/46/45/571764645.db2.gz ANBGEEUWJPEFMH-FTJBHMTQSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cccc1C ZINC000225398393 571768363 /nfs/dbraw/zinc/76/83/63/571768363.db2.gz OLWYKBHMWAGCJN-IXCJQBJRSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225399760 571769376 /nfs/dbraw/zinc/76/93/76/571769376.db2.gz MHTHEZMPHFDPSP-SXOMAYOGSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400171 571769916 /nfs/dbraw/zinc/76/99/16/571769916.db2.gz YWIXDRQSEAPSDZ-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1NS(C)(=O)=O ZINC000225424347 571790332 /nfs/dbraw/zinc/79/03/32/571790332.db2.gz NBZLDMRXCCAYPK-KAYWLYCHSA-N 0 0 547.706 5.046 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225425188 571791410 /nfs/dbraw/zinc/79/14/10/571791410.db2.gz QBMZKSZWOVUCKW-VMPREFPWSA-N 0 0 575.760 5.609 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225425144 571791570 /nfs/dbraw/zinc/79/15/70/571791570.db2.gz QBMZKSZWOVUCKW-URLMMPGGSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1NS(C)(=O)=O ZINC000225425580 571791857 /nfs/dbraw/zinc/79/18/57/571791857.db2.gz PWIPUORJFLBKHN-SVBPBHIXSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426646 571793061 /nfs/dbraw/zinc/79/30/61/571793061.db2.gz ORVKOEKJMMVIFM-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426780 571793596 /nfs/dbraw/zinc/79/35/96/571793596.db2.gz CLRLLRYBCQIJCA-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427457 571793952 /nfs/dbraw/zinc/79/39/52/571793952.db2.gz YBDSGDRMWJZJJU-VSGBNLITSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427406 571794001 /nfs/dbraw/zinc/79/40/01/571794001.db2.gz UARNNQQUZUKWCF-NSOVKSMOSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428239 571795164 /nfs/dbraw/zinc/79/51/64/571795164.db2.gz OCSVDXCEUMUMSO-FQLXRVMXSA-N 0 0 590.775 5.112 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225429896 571797514 /nfs/dbraw/zinc/79/75/14/571797514.db2.gz KEOSFBZEJYAGDZ-URLMMPGGSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1NS(C)(=O)=O ZINC000225430207 571797816 /nfs/dbraw/zinc/79/78/16/571797816.db2.gz YDTSNQBPAGMYPP-DGPALRBDSA-N 0 0 589.787 5.972 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225453671 571825021 /nfs/dbraw/zinc/82/50/21/571825021.db2.gz KZCQOJZFUGYRME-VMPREFPWSA-N 0 0 559.761 5.909 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225456681 571827998 /nfs/dbraw/zinc/82/79/98/571827998.db2.gz JMYLMSYVQXULFT-RRPNLBNLSA-N 0 0 600.597 6.653 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456528 571828083 /nfs/dbraw/zinc/82/80/83/571828083.db2.gz BJKAXWGKQORDHK-IOWSJCHKSA-N 0 0 602.830 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225456610 571828234 /nfs/dbraw/zinc/82/82/34/571828234.db2.gz JMYLMSYVQXULFT-KAYWLYCHSA-N 0 0 600.597 6.653 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225457683 571829555 /nfs/dbraw/zinc/82/95/55/571829555.db2.gz PYQSPIQSODJCKD-MFMCTBQISA-N 0 0 573.788 6.271 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000225457897 571829604 /nfs/dbraw/zinc/82/96/04/571829604.db2.gz HMUYKADKVZTTNZ-VSGBNLITSA-N 0 0 606.730 5.263 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458389 571829902 /nfs/dbraw/zinc/82/99/02/571829902.db2.gz CMIIOXLMUGEDOV-WUFINQPMSA-N 0 0 596.178 6.008 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458745 571830552 /nfs/dbraw/zinc/83/05/52/571830552.db2.gz UEKJLGZGAVJQCC-JDXGNMNLSA-N 0 0 573.788 6.217 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ncccc1C ZINC000225458978 571831108 /nfs/dbraw/zinc/83/11/08/571831108.db2.gz MRBOCRMCRYBPRJ-FTJBHMTQSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1C ZINC000260909970 571836498 /nfs/dbraw/zinc/83/64/98/571836498.db2.gz BHNRBYULZZTXJR-KAYWLYCHSA-N 0 0 503.115 7.161 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225468708 571839727 /nfs/dbraw/zinc/83/97/27/571839727.db2.gz UHYVIMXGYFVIJA-WUFINQPMSA-N 0 0 589.743 5.133 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260911811 571840748 /nfs/dbraw/zinc/84/07/48/571840748.db2.gz DHFYIGUXNSEDNJ-KAYWLYCHSA-N 0 0 519.114 6.943 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1Br ZINC000260912121 571841206 /nfs/dbraw/zinc/84/12/06/571841206.db2.gz FFUMQRRHTHILOR-PUZWTLIVSA-N 0 0 511.489 5.403 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260914474 571844817 /nfs/dbraw/zinc/84/48/17/571844817.db2.gz GRROYUDVQOYLTR-XPTBSDKWSA-N 0 0 598.260 8.364 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260916190 571847988 /nfs/dbraw/zinc/84/79/88/571847988.db2.gz HWTDBVAVLUBLIE-KAYWLYCHSA-N 0 0 535.113 6.561 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NS(C)(=O)=O ZINC000225479133 571849093 /nfs/dbraw/zinc/84/90/93/571849093.db2.gz HGOKHUGEUDXCQC-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225479808 571850047 /nfs/dbraw/zinc/85/00/47/571850047.db2.gz OEMINCLPDDPBPH-WDYNHAJCSA-N 0 0 575.760 5.609 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NS(C)(=O)=O ZINC000225480538 571850942 /nfs/dbraw/zinc/85/09/42/571850942.db2.gz CJKAGEXRZTWZGL-SVBPBHIXSA-N 0 0 582.151 5.700 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21 ZINC000260917903 571851176 /nfs/dbraw/zinc/85/11/76/571851176.db2.gz JVVQVHITVZZDRS-DQEYMECFSA-N 0 0 525.505 6.903 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NS(C)(=O)=O ZINC000225480945 571851210 /nfs/dbraw/zinc/85/12/10/571851210.db2.gz ZATDXNXITKEFNI-KAYWLYCHSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1NS(C)(=O)=O ZINC000225480980 571851219 /nfs/dbraw/zinc/85/12/19/571851219.db2.gz WKARQMOPCBQUHS-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1NS(C)(=O)=O ZINC000225481093 571851297 /nfs/dbraw/zinc/85/12/97/571851297.db2.gz CVAKFCNPKGDOKI-SVBPBHIXSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 ZINC000225481383 571852122 /nfs/dbraw/zinc/85/21/22/571852122.db2.gz QWNLWHCGFCZXEB-WUFINQPMSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482145 571852518 /nfs/dbraw/zinc/85/25/18/571852518.db2.gz DTIUMPALDFIDPV-URLMMPGGSA-N 0 0 590.775 5.112 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482422 571853003 /nfs/dbraw/zinc/85/30/03/571853003.db2.gz LRNNRJIHCSSAAB-SXOMAYOGSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000225482402 571853018 /nfs/dbraw/zinc/85/30/18/571853018.db2.gz NLFWWGXSTAXMIT-UZPCJBMISA-N 0 0 533.694 5.650 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225482588 571853493 /nfs/dbraw/zinc/85/34/93/571853493.db2.gz IANCWMBVDAAYKJ-RRPNLBNLSA-N 0 0 616.596 6.353 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225482830 571853512 /nfs/dbraw/zinc/85/35/12/571853512.db2.gz HMUUOZCLKOQRAM-VMPREFPWSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NS(C)(=O)=O ZINC000225483466 571854201 /nfs/dbraw/zinc/85/42/01/571854201.db2.gz WRJKGWUDXRZEOX-IZLXSDGUSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1NS(C)(=O)=O ZINC000225483495 571854207 /nfs/dbraw/zinc/85/42/07/571854207.db2.gz WRJKGWUDXRZEOX-WUFINQPMSA-N 0 0 596.178 6.008 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225483889 571854633 /nfs/dbraw/zinc/85/46/33/571854633.db2.gz CZBJOAHOZPGQIY-NSOVKSMOSA-N 0 0 596.178 6.008 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)cc21 ZINC000260920984 571855928 /nfs/dbraw/zinc/85/59/28/571855928.db2.gz NWSFYMYJPYRRAV-DOMDLIBDSA-N 0 0 586.249 8.026 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 ZINC000260921211 571856383 /nfs/dbraw/zinc/85/63/83/571856383.db2.gz OVXVAOZTTSXONJ-KAYWLYCHSA-N 0 0 500.668 5.908 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260921272 571856880 /nfs/dbraw/zinc/85/68/80/571856880.db2.gz PBZZIMBIDDCAAL-SAIUNTKASA-N 0 0 624.210 7.561 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260922621 571859655 /nfs/dbraw/zinc/85/96/55/571859655.db2.gz QNOQBPXVJLHJOI-BJUYILBYSA-N 0 0 645.229 7.719 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21 ZINC000260922606 571859781 /nfs/dbraw/zinc/85/97/81/571859781.db2.gz QKWMVUYVKGEQNO-SXOMAYOGSA-N 0 0 518.130 6.610 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000260924067 571861832 /nfs/dbraw/zinc/86/18/32/571861832.db2.gz RPEBLUQOYCRKJG-OYFHWARDSA-N 0 0 571.194 7.197 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000260924241 571862223 /nfs/dbraw/zinc/86/22/23/571862223.db2.gz SNKCCSAINRFIQC-TUTIZHAESA-N 0 0 585.221 7.505 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c1C ZINC000260925534 571864511 /nfs/dbraw/zinc/86/45/11/571864511.db2.gz VJVGAIGCLLECQZ-ZVUFWCIGSA-N 0 0 645.229 7.719 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000260926918 571868053 /nfs/dbraw/zinc/86/80/53/571868053.db2.gz WZFASQQZJUXJHI-BAGWDXEUSA-N 0 0 638.203 8.821 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927099 571868099 /nfs/dbraw/zinc/86/80/99/571868099.db2.gz YDGOORLZDKRUAH-QGKSIAKZSA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000260927150 571868784 /nfs/dbraw/zinc/86/87/84/571868784.db2.gz YKDOBJKMDIEDGV-VMPREFPWSA-N 0 0 525.722 5.727 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1Br ZINC000260927577 571869581 /nfs/dbraw/zinc/86/95/81/571869581.db2.gz YZLCOOABFGFJCB-IZZNHLLZSA-N 0 0 533.539 6.961 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)C ZINC000260927693 571869898 /nfs/dbraw/zinc/86/98/98/571869898.db2.gz ZMFIJKHRSOWGKU-FQLXRVMXSA-N 0 0 539.749 6.793 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225509151 571880511 /nfs/dbraw/zinc/88/05/11/571880511.db2.gz SWQOSSJOEBBVJR-NSOVKSMOSA-N 0 0 556.648 5.017 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000225527894 571894409 /nfs/dbraw/zinc/89/44/09/571894409.db2.gz KHBKCOYQNZVTHZ-FQLXRVMXSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225528183 571895019 /nfs/dbraw/zinc/89/50/19/571895019.db2.gz RMNSEBVMYKMQBU-NSOVKSMOSA-N 0 0 563.649 6.509 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225529650 571896563 /nfs/dbraw/zinc/89/65/63/571896563.db2.gz MSNIDYGFFDPRKA-VMPREFPWSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225530241 571897323 /nfs/dbraw/zinc/89/73/23/571897323.db2.gz WIOATVDHBAZUQB-VSGBNLITSA-N 0 0 564.542 6.797 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225530669 571897722 /nfs/dbraw/zinc/89/77/22/571897722.db2.gz VQTNPJDVHHOVAE-PQHLKRTFSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225531130 571897765 /nfs/dbraw/zinc/89/77/65/571897765.db2.gz ZVSIRSAWHVABHI-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225531369 571898354 /nfs/dbraw/zinc/89/83/54/571898354.db2.gz HYPIJORWLWIRIR-WDYNHAJCSA-N 0 0 570.675 5.407 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531702 571898696 /nfs/dbraw/zinc/89/86/96/571898696.db2.gz GZNLMDKICHZVOT-FQLXRVMXSA-N 0 0 560.123 6.152 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000225543064 571907656 /nfs/dbraw/zinc/90/76/56/571907656.db2.gz HUPYIVHSLOUPJW-IHLOFXLRSA-N 0 0 574.194 6.930 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225545414 571909551 /nfs/dbraw/zinc/90/95/51/571909551.db2.gz KLXFNWAGPUWQKY-LOYHVIPDSA-N 0 0 574.150 6.412 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225547579 571910950 /nfs/dbraw/zinc/91/09/50/571910950.db2.gz SILVSWUNELYHBJ-SZAHLOSFSA-N 0 0 573.766 7.206 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225547615 571911104 /nfs/dbraw/zinc/91/11/04/571911104.db2.gz SILVSWUNELYHBJ-KKLWWLSJSA-N 0 0 573.766 7.206 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225548921 571912088 /nfs/dbraw/zinc/91/20/88/571912088.db2.gz UPLOKYWEHPUDJB-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000225551657 571914523 /nfs/dbraw/zinc/91/45/23/571914523.db2.gz GNZPSQPBYHJRSW-ZWXJPIIXSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225551520 571914605 /nfs/dbraw/zinc/91/46/05/571914605.db2.gz BMLFITIYXZRABH-IHLOFXLRSA-N 0 0 592.596 7.360 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225552029 571914969 /nfs/dbraw/zinc/91/49/69/571914969.db2.gz NEUPIEFUOODCDX-ACHIHNKUSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225551848 571915041 /nfs/dbraw/zinc/91/50/41/571915041.db2.gz NJZJWTJNCPFJHT-ROJLCIKYSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225552231 571915544 /nfs/dbraw/zinc/91/55/44/571915544.db2.gz UWZIQXOZJYJNDO-IOWSJCHKSA-N 0 0 567.715 5.782 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225553368 571916243 /nfs/dbraw/zinc/91/62/43/571916243.db2.gz PNYNGCDLFJGDIQ-IOWSJCHKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225553826 571916359 /nfs/dbraw/zinc/91/63/59/571916359.db2.gz ROOFUQUETDTCFS-FQLXRVMXSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000225561654 571923559 /nfs/dbraw/zinc/92/35/59/571923559.db2.gz TZULTSTVVOURSB-CONSDPRKSA-N 0 0 581.742 5.839 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000225569055 571931052 /nfs/dbraw/zinc/93/10/52/571931052.db2.gz IQFLCVXBIJDACX-UHFFFAOYSA-N 0 0 534.509 5.736 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225569838 571931807 /nfs/dbraw/zinc/93/18/07/571931807.db2.gz JPYAWNWIUIFZSH-XZWHSSHBSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Cl ZINC000225570797 571932240 /nfs/dbraw/zinc/93/22/40/571932240.db2.gz FLHVHSMHZXAUIW-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225571358 571932689 /nfs/dbraw/zinc/93/26/89/571932689.db2.gz RNIODMWTLKREJK-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1c(C)cccc1C ZINC000225573186 571933992 /nfs/dbraw/zinc/93/39/92/571933992.db2.gz OKYMYWPVBOPWDQ-BVRKHOPBSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225572667 571934071 /nfs/dbraw/zinc/93/40/71/571934071.db2.gz OFTKLQNHKVZNGN-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225573479 571934208 /nfs/dbraw/zinc/93/42/08/571934208.db2.gz QIVYHRINOBVLMG-XZWHSSHBSA-N 0 0 553.688 5.528 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225573988 571934642 /nfs/dbraw/zinc/93/46/42/571934642.db2.gz FERRFALKVFBRQI-IHLOFXLRSA-N 0 0 584.702 5.716 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225574831 571935022 /nfs/dbraw/zinc/93/50/22/571935022.db2.gz GYNXTMLRIPNGFT-VMPREFPWSA-N 0 0 524.694 5.502 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574640 571935161 /nfs/dbraw/zinc/93/51/61/571935161.db2.gz QQDXLOMPMPBIRR-BHYZAODMSA-N 0 0 551.760 6.670 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225575037 571935409 /nfs/dbraw/zinc/93/54/09/571935409.db2.gz PPKIQTYMUDYPGQ-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225582510 571941552 /nfs/dbraw/zinc/94/15/52/571941552.db2.gz DMIXBYQLAOSXNK-LOYHVIPDSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225584696 571942985 /nfs/dbraw/zinc/94/29/85/571942985.db2.gz HMUGXSBYXIRREX-ZWXJPIIXSA-N 0 0 598.748 5.466 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225587504 571945505 /nfs/dbraw/zinc/94/55/05/571945505.db2.gz JZCIESLBFXGEHU-NSOVKSMOSA-N 0 0 564.086 5.989 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C ZINC000225590122 571946772 /nfs/dbraw/zinc/94/67/72/571946772.db2.gz JYINWMGZBDNHMS-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000225590831 571947021 /nfs/dbraw/zinc/94/70/21/571947021.db2.gz JJSRMSXKHHMGDD-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225591172 571947308 /nfs/dbraw/zinc/94/73/08/571947308.db2.gz MWXYEBZUFBQEEK-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225592001 571947636 /nfs/dbraw/zinc/94/76/36/571947636.db2.gz LRCQAXFYVREZQL-NSOVKSMOSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225591972 571947800 /nfs/dbraw/zinc/94/78/00/571947800.db2.gz LRCQAXFYVREZQL-WUFINQPMSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225592259 571947941 /nfs/dbraw/zinc/94/79/41/571947941.db2.gz WODURLQTQLXCFG-WUFINQPMSA-N 0 0 529.641 5.335 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593163 571948752 /nfs/dbraw/zinc/94/87/52/571948752.db2.gz IGTLKEPOHADLKE-ROJLCIKYSA-N 0 0 584.765 6.476 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593227 571948876 /nfs/dbraw/zinc/94/88/76/571948876.db2.gz IGTLKEPOHADLKE-AJQTZOPKSA-N 0 0 584.765 6.476 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225593058 571948951 /nfs/dbraw/zinc/94/89/51/571948951.db2.gz MTEGFPONTDHDSP-IHLOFXLRSA-N 0 0 556.711 5.696 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225593704 571949309 /nfs/dbraw/zinc/94/93/09/571949309.db2.gz FPWWWONUEVNYLA-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225594663 571949809 /nfs/dbraw/zinc/94/98/09/571949809.db2.gz ZGCPUMRIYWVKCA-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225594838 571949972 /nfs/dbraw/zinc/94/99/72/571949972.db2.gz MUMJFCDALZHVSR-WDYNHAJCSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595224 571950328 /nfs/dbraw/zinc/95/03/28/571950328.db2.gz ASGWHKKVBJQVQY-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225603248 571956748 /nfs/dbraw/zinc/95/67/48/571956748.db2.gz NUHXOGCIONIDQD-VMPREFPWSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc2ccccc21 ZINC000225610401 571962691 /nfs/dbraw/zinc/96/26/91/571962691.db2.gz PJQIALNIHGZDKL-AJQTZOPKSA-N 0 0 563.702 6.783 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225611298 571963279 /nfs/dbraw/zinc/96/32/79/571963279.db2.gz QSHZXMRAXLRREE-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225611204 571963356 /nfs/dbraw/zinc/96/33/56/571963356.db2.gz QYATUNZZLPXUER-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl ZINC000225611813 571963683 /nfs/dbraw/zinc/96/36/83/571963683.db2.gz NKXKJWNTXHIFMX-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(F)c1 ZINC000225611606 571963722 /nfs/dbraw/zinc/96/37/22/571963722.db2.gz NEODBCGQMSQORP-NSOVKSMOSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000225612056 571963787 /nfs/dbraw/zinc/96/37/87/571963787.db2.gz XNMVSMYRHJHQCA-WUFINQPMSA-N 0 0 548.087 6.283 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(F)c1 ZINC000225611581 571963816 /nfs/dbraw/zinc/96/38/16/571963816.db2.gz NEODBCGQMSQORP-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 ZINC000225612235 571964131 /nfs/dbraw/zinc/96/41/31/571964131.db2.gz YDSSSBVRHVYIPA-VSGBNLITSA-N 0 0 592.538 6.392 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225612726 571964189 /nfs/dbraw/zinc/96/41/89/571964189.db2.gz CVWIRODEMAWDLP-WDYNHAJCSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225613784 571965108 /nfs/dbraw/zinc/96/51/08/571965108.db2.gz DEYXQRIBODCBCK-WUFINQPMSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1C ZINC000225614738 571965988 /nfs/dbraw/zinc/96/59/88/571965988.db2.gz VZKCHVLNJOHFGH-VMPREFPWSA-N 0 0 562.114 6.591 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225615579 571966318 /nfs/dbraw/zinc/96/63/18/571966318.db2.gz MNSVOLILGFSZCC-IGYGKHONSA-N 0 0 555.723 6.500 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cn1 ZINC000225615946 571966658 /nfs/dbraw/zinc/96/66/58/571966658.db2.gz ZCRRGQSXXATMCB-WUFINQPMSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C)cn1 ZINC000225615894 571966721 /nfs/dbraw/zinc/96/67/21/571966721.db2.gz ZCRRGQSXXATMCB-VSGBNLITSA-N 0 0 528.657 5.333 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225622028 571972846 /nfs/dbraw/zinc/97/28/46/571972846.db2.gz JGMUVVPEADVKDF-WUFINQPMSA-N 0 0 529.641 5.330 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(Cl)ccc1O ZINC000225626720 571978307 /nfs/dbraw/zinc/97/83/07/571978307.db2.gz BRWQDVIYSSTTBP-LOYHVIPDSA-N 0 0 574.150 6.466 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc2ccccc21 ZINC000225628374 571980086 /nfs/dbraw/zinc/98/00/86/571980086.db2.gz AQHQVNHBACOADQ-KKLWWLSJSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1 ZINC000225628732 571980594 /nfs/dbraw/zinc/98/05/94/571980594.db2.gz RQQFXFZAIMAZRN-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225629230 571981485 /nfs/dbraw/zinc/98/14/85/571981485.db2.gz IJMDDKMCCZAKSZ-KYJUHHDHSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Cl ZINC000225629877 571981917 /nfs/dbraw/zinc/98/19/17/571981917.db2.gz GQJIMSOXWLRRNV-KYJUHHDHSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225630252 571982328 /nfs/dbraw/zinc/98/23/28/571982328.db2.gz OVMMNILQXJFNGH-XZWHSSHBSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Br)c1 ZINC000225630208 571982349 /nfs/dbraw/zinc/98/23/49/571982349.db2.gz OVMMNILQXJFNGH-LOYHVIPDSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225630372 571982428 /nfs/dbraw/zinc/98/24/28/571982428.db2.gz RFVVBTQZUYMIPC-XZWHSSHBSA-N 0 0 602.602 6.870 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225630840 571982786 /nfs/dbraw/zinc/98/27/86/571982786.db2.gz QNIGNOKRGICYPF-CONSDPRKSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000225631439 571983777 /nfs/dbraw/zinc/98/37/77/571983777.db2.gz CEHWYNQKCBQOIQ-IHLOFXLRSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cccc1C ZINC000225631833 571984118 /nfs/dbraw/zinc/98/41/18/571984118.db2.gz VWXVQSQLGNVBPK-XLJNKUFUSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225632106 571984138 /nfs/dbraw/zinc/98/41/38/571984138.db2.gz OOUPGLHAJRMKCE-IOWSJCHKSA-N 0 0 567.715 5.836 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225631780 571984207 /nfs/dbraw/zinc/98/42/07/571984207.db2.gz HXUBXOBVICTGNK-AJQTZOPKSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632479 571984571 /nfs/dbraw/zinc/98/45/71/571984571.db2.gz LVEYIVWFMUJUPV-CONSDPRKSA-N 0 0 598.729 6.024 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632449 571984668 /nfs/dbraw/zinc/98/46/68/571984668.db2.gz LVEYIVWFMUJUPV-IOWSJCHKSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 ZINC000225639018 571990371 /nfs/dbraw/zinc/99/03/71/571990371.db2.gz ZUNAMTPCPZHBDX-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225646938 571995513 /nfs/dbraw/zinc/99/55/13/571995513.db2.gz XNLVRACPSOJPDJ-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225647239 571995971 /nfs/dbraw/zinc/99/59/71/571995971.db2.gz OMTXKJDDKQAFJV-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225646993 571996088 /nfs/dbraw/zinc/99/60/88/571996088.db2.gz DOYPPJMZPZAOCF-FIRIVFDPSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225648039 571997050 /nfs/dbraw/zinc/99/70/50/571997050.db2.gz VRGDKUMLCLDIBZ-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649061 571997742 /nfs/dbraw/zinc/99/77/42/571997742.db2.gz UOYFRZUUWDZKPN-LQJZCPKCSA-N 0 0 580.802 6.645 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650159 571998422 /nfs/dbraw/zinc/99/84/22/571998422.db2.gz VEBFDUMJBWBPFI-XZWHSSHBSA-N 0 0 584.702 5.716 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650736 571999173 /nfs/dbraw/zinc/99/91/73/571999173.db2.gz HIEBYBBGVDIIGY-XLJNKUFUSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)cc1 ZINC000225657440 572004009 /nfs/dbraw/zinc/00/40/09/572004009.db2.gz GTANBXFTZHAIIB-FQLXRVMXSA-N 0 0 525.678 5.499 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225665643 572009094 /nfs/dbraw/zinc/00/90/94/572009094.db2.gz FDWIHGIMRGBQRG-KYJUHHDHSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225666944 572009403 /nfs/dbraw/zinc/00/94/03/572009403.db2.gz DEQZSALWPJEJEH-FQLXRVMXSA-N 0 0 560.123 6.152 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225666177 572009425 /nfs/dbraw/zinc/00/94/25/572009425.db2.gz GJHAXURRFJVXCN-IOWSJCHKSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225667312 572009863 /nfs/dbraw/zinc/00/98/63/572009863.db2.gz ZDQWEESISROZQL-FQLXRVMXSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225667620 572009936 /nfs/dbraw/zinc/00/99/36/572009936.db2.gz JWRABYOWJQIADW-IHLOFXLRSA-N 0 0 555.704 5.508 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000225668961 572010839 /nfs/dbraw/zinc/01/08/39/572010839.db2.gz SOTQWBLQZVZDPI-IOWSJCHKSA-N 0 0 553.732 6.116 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225668638 572010888 /nfs/dbraw/zinc/01/08/88/572010888.db2.gz MHWVOCRQWWLYCJ-VMPREFPWSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225669354 572011186 /nfs/dbraw/zinc/01/11/86/572011186.db2.gz VWRWXJCFILYHLB-XZWHSSHBSA-N 0 0 569.687 5.228 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225669321 572011272 /nfs/dbraw/zinc/01/12/72/572011272.db2.gz VWRWXJCFILYHLB-IHLOFXLRSA-N 0 0 569.687 5.228 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225669455 572011312 /nfs/dbraw/zinc/01/13/12/572011312.db2.gz ADWDYRXCYIKMBL-BHYZAODMSA-N 0 0 567.759 6.424 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225680266 572018338 /nfs/dbraw/zinc/01/83/38/572018338.db2.gz ONADHEWGTNDEGN-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccn1 ZINC000225681802 572019130 /nfs/dbraw/zinc/01/91/30/572019130.db2.gz YPEXRGKAKXXRMM-NSOVKSMOSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1F ZINC000225685811 572022086 /nfs/dbraw/zinc/02/20/86/572022086.db2.gz WLOJBSRSSHADLW-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225686103 572022446 /nfs/dbraw/zinc/02/24/46/572022446.db2.gz RKBOQAALSOBFHC-VMPREFPWSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(F)c1 ZINC000225685857 572022511 /nfs/dbraw/zinc/02/25/11/572022511.db2.gz CBMJHJVLBSUPPV-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Cl ZINC000225685989 572022546 /nfs/dbraw/zinc/02/25/46/572022546.db2.gz VOYTZEWEKMHBHA-WDYNHAJCSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225685948 572022564 /nfs/dbraw/zinc/02/25/64/572022564.db2.gz ACBLJWOLZUOLFV-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225686831 572023209 /nfs/dbraw/zinc/02/32/09/572023209.db2.gz IQVKTTMVPBHDMF-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225688042 572023965 /nfs/dbraw/zinc/02/39/65/572023965.db2.gz VONPAERYPWBXNY-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225688157 572023970 /nfs/dbraw/zinc/02/39/70/572023970.db2.gz VSMMVUPQCOECHM-IHLOFXLRSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225687783 572023994 /nfs/dbraw/zinc/02/39/94/572023994.db2.gz VKSFVIJJMIOINQ-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225688091 572024012 /nfs/dbraw/zinc/02/40/12/572024012.db2.gz VONPAERYPWBXNY-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1C ZINC000225688435 572024305 /nfs/dbraw/zinc/02/43/05/572024305.db2.gz XIAHVRUIOYDHOI-XZWHSSHBSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225688251 572024384 /nfs/dbraw/zinc/02/43/84/572024384.db2.gz QGFBANKMFCJBSB-XLJNKUFUSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689038 572024697 /nfs/dbraw/zinc/02/46/97/572024697.db2.gz CBGMOCZFWJWYBR-KYJUHHDHSA-N 0 0 574.150 6.461 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1C ZINC000225689199 572024791 /nfs/dbraw/zinc/02/47/91/572024791.db2.gz VDRPUFMMMKTIIA-BHYZAODMSA-N 0 0 551.760 6.670 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225696656 572029103 /nfs/dbraw/zinc/02/91/03/572029103.db2.gz OTMHDMMQEOKGDJ-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225696681 572029157 /nfs/dbraw/zinc/02/91/57/572029157.db2.gz OTMHDMMQEOKGDJ-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000225700582 572031569 /nfs/dbraw/zinc/03/15/69/572031569.db2.gz LQWJKYZQOLXGSZ-JSOSNVBQSA-N 0 0 546.700 6.039 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000225700549 572031702 /nfs/dbraw/zinc/03/17/02/572031702.db2.gz LQWJKYZQOLXGSZ-FIRIVFDPSA-N 0 0 546.700 6.039 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000225704258 572035196 /nfs/dbraw/zinc/03/51/96/572035196.db2.gz SHHHSGIMPQCALI-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225704468 572035264 /nfs/dbraw/zinc/03/52/64/572035264.db2.gz CSCAOXWRFSQXOC-KKLWWLSJSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000225704993 572035520 /nfs/dbraw/zinc/03/55/20/572035520.db2.gz KLOHAVXDVKFYSO-ACHIHNKUSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(F)c1 ZINC000225704838 572035585 /nfs/dbraw/zinc/03/55/85/572035585.db2.gz FVWNESBMQVWZAN-ZWXJPIIXSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(F)c1 ZINC000225704811 572035675 /nfs/dbraw/zinc/03/56/75/572035675.db2.gz FVWNESBMQVWZAN-ROJLCIKYSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1 ZINC000225705158 572035948 /nfs/dbraw/zinc/03/59/48/572035948.db2.gz RIWDFZGOJFHTSJ-ZWXJPIIXSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225706950 572037156 /nfs/dbraw/zinc/03/71/56/572037156.db2.gz UIMWWSYNZYMPQT-AJQTZOPKSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225706973 572037253 /nfs/dbraw/zinc/03/72/53/572037253.db2.gz UIMWWSYNZYMPQT-ACHIHNKUSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000225707394 572037536 /nfs/dbraw/zinc/03/75/36/572037536.db2.gz NMMFIQZZKVHCFJ-SZAHLOSFSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000225707341 572037581 /nfs/dbraw/zinc/03/75/81/572037581.db2.gz NMMFIQZZKVHCFJ-KKLWWLSJSA-N 0 0 573.766 7.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1c(C)cc(C)cc1C ZINC000225707603 572037633 /nfs/dbraw/zinc/03/76/33/572037633.db2.gz CEAGWZJVWADBAH-OQBISYOISA-N 0 0 587.793 7.569 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccn1 ZINC000225708689 572038954 /nfs/dbraw/zinc/03/89/54/572038954.db2.gz PFRXOCCXFRQBAI-ACHIHNKUSA-N 0 0 560.727 6.347 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)n1-c1ccccc1 ZINC000225715264 572043800 /nfs/dbraw/zinc/04/38/00/572043800.db2.gz BHYNFPPCKVOXSD-JSOSNVBQSA-N 0 0 531.685 6.335 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225715888 572044081 /nfs/dbraw/zinc/04/40/81/572044081.db2.gz DCQWSRGNRHJXHT-JHOUSYSJSA-N 0 0 603.748 6.430 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225715835 572044139 /nfs/dbraw/zinc/04/41/39/572044139.db2.gz DCQWSRGNRHJXHT-CZNDPXEESA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000225805908 572072567 /nfs/dbraw/zinc/07/25/67/572072567.db2.gz MCUZNYZHOKMTHL-FQEVSTJZSA-N 0 0 556.153 6.041 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225844401 572075923 /nfs/dbraw/zinc/07/59/23/572075923.db2.gz HILFVVIYWNICTR-UHFFFAOYSA-N 0 0 530.090 5.015 40 10 KKCBRN CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952439 572086544 /nfs/dbraw/zinc/08/65/44/572086544.db2.gz UOXMSCVZGTZLNS-QFIPXVFZSA-N 0 0 507.752 5.179 40 10 KKCBRN O=C(Nc1ccc(NC(=O)C2=Cc3ccccc3C(=NNc3cc(Cl)ccc3Cl)C2=O)c(Cl)c1)C1=Cc2ccccc2C(=NNc2cc(Cl)ccc2Cl)C1=O ZINC000263616377 572130970 /nfs/dbraw/zinc/13/09/70/572130970.db2.gz IJBLMBVNVKWXHY-UHFFFAOYSA-N 0 0 828.927 14.007 40 10 KKCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000226863764 572143953 /nfs/dbraw/zinc/14/39/53/572143953.db2.gz IMHDVKJKENPUFP-LGUFXXKBSA-N 0 0 656.565 8.224 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000408529260 572167167 /nfs/dbraw/zinc/16/71/67/572167167.db2.gz IYHUAFHNXRBJIN-OYKKKHCWSA-N 0 0 557.448 5.889 40 10 KKCBRN CCCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1 ZINC000408531029 572174437 /nfs/dbraw/zinc/17/44/37/572174437.db2.gz KCUVCIQTOKWPCO-BRPDVVIDSA-N 0 0 511.666 6.830 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000408531205 572174992 /nfs/dbraw/zinc/17/49/92/572174992.db2.gz OSWYIMCUZTYIEU-NSIKDUERSA-N 0 0 503.212 5.419 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408531497 572176105 /nfs/dbraw/zinc/17/61/05/572176105.db2.gz OFYHFZBPUKMGHF-BWAHOGKJSA-N 0 0 538.696 5.129 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408531654 572176418 /nfs/dbraw/zinc/17/64/18/572176418.db2.gz PVRSBMKFRRZMJZ-NVNXTCNLSA-N 0 0 562.248 5.130 40 10 KKCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531757 572176907 /nfs/dbraw/zinc/17/69/07/572176907.db2.gz QQJQRSRQBIELMH-APSNUPSMSA-N 0 0 515.853 5.174 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000408532187 572179215 /nfs/dbraw/zinc/17/92/15/572179215.db2.gz PXDNYHWSNLITBW-JCMHNJIXSA-N 0 0 553.482 5.894 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2Br)c1 ZINC000408533632 572184006 /nfs/dbraw/zinc/18/40/06/572184006.db2.gz ZPXMBRNAYMKCKN-NVNXTCNLSA-N 0 0 542.274 5.026 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000408534242 572185748 /nfs/dbraw/zinc/18/57/48/572185748.db2.gz PVYYDUIIDQLXIA-OYKKKHCWSA-N 0 0 543.421 5.581 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408536744 572192181 /nfs/dbraw/zinc/19/21/81/572192181.db2.gz XRSFPPPEPNYEJV-XLNRJJMWSA-N 0 0 586.494 5.385 40 10 KKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408537060 572193431 /nfs/dbraw/zinc/19/34/31/572193431.db2.gz YYKAXPLUKDRRPY-RAXLEYEMSA-N 0 0 505.793 5.547 40 10 KKCBRN CCCCCCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408537374 572194424 /nfs/dbraw/zinc/19/44/24/572194424.db2.gz DERCWCZPAIURGB-UHFFFAOYSA-N 0 0 577.475 7.000 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538777 572199498 /nfs/dbraw/zinc/19/94/98/572199498.db2.gz QRSZVPRJGHSCJO-UHFFFAOYSA-N 0 0 703.191 8.879 40 10 KKCBRN COc1cc(COc2ccc(Br)cc2/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408538818 572199652 /nfs/dbraw/zinc/19/96/52/572199652.db2.gz CCCMZFXIALYPNX-AFUMVMLFSA-N 0 0 567.461 5.722 40 10 KKCBRN CCCCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408540229 572205077 /nfs/dbraw/zinc/20/50/77/572205077.db2.gz OVSLOXNAXRDYJC-UYRXBGFRSA-N 0 0 520.265 6.977 40 10 KKCBRN COc1cc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408540421 572205900 /nfs/dbraw/zinc/20/59/00/572205900.db2.gz RNSWQVQGZJPWKI-RRAHZORUSA-N 0 0 504.586 6.659 40 10 KKCBRN COc1cc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)ccc1OCc1ccccc1 ZINC000408540621 572206595 /nfs/dbraw/zinc/20/65/95/572206595.db2.gz UPKDBNSSZUDNHP-YUMHPJSZSA-N 0 0 613.508 7.430 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540864 572206867 /nfs/dbraw/zinc/20/68/67/572206867.db2.gz WOWYXVHKTIMQGX-COEJQBHMSA-N 0 0 562.666 7.448 40 10 KKCBRN CCOc1cc(COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408541194 572207956 /nfs/dbraw/zinc/20/79/56/572207956.db2.gz YHRLPOVGVQWBHM-ZVHZXABRSA-N 0 0 512.052 6.386 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408550670 572234655 /nfs/dbraw/zinc/23/46/55/572234655.db2.gz GEPOBSKTIZTYLN-NVMNQCDNSA-N 0 0 638.143 7.342 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551347 572236289 /nfs/dbraw/zinc/23/62/89/572236289.db2.gz CEWSZMBLAVGPES-NDENLUEZSA-N 0 0 559.247 6.580 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553193 572240322 /nfs/dbraw/zinc/24/03/22/572240322.db2.gz MOBFNMHJIUJOLW-UHFFFAOYSA-N 0 0 650.902 7.256 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554979 572242317 /nfs/dbraw/zinc/24/23/17/572242317.db2.gz UUJLRODSYYWBGO-GRSHGNNSSA-N 0 0 589.273 6.588 40 10 KKCBRN O=C(COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408555890 572243169 /nfs/dbraw/zinc/24/31/69/572243169.db2.gz ZLKQEHMOTBDQRJ-JLPGSUDCSA-N 0 0 621.318 7.608 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)SC2=S)cc1 ZINC000408571561 572257167 /nfs/dbraw/zinc/25/71/67/572257167.db2.gz BRQAEIQJQUVWGN-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000408571808 572257407 /nfs/dbraw/zinc/25/74/07/572257407.db2.gz CQAIMBHCNSANQH-ULJHMMPZSA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408571972 572257480 /nfs/dbraw/zinc/25/74/80/572257480.db2.gz DPGKTOZXKCDLJG-IWIPYMOSSA-N 0 0 539.078 6.158 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)c2)cc1 ZINC000408572182 572257701 /nfs/dbraw/zinc/25/77/01/572257701.db2.gz FMZGVDOVTCHWCS-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)SC2=S)cc1 ZINC000408572350 572257811 /nfs/dbraw/zinc/25/78/11/572257811.db2.gz GJNXPFQNDXOYBA-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)SC2=S)cc1 ZINC000408572733 572258004 /nfs/dbraw/zinc/25/80/04/572258004.db2.gz HYMGUNHQAYFQTH-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000408573813 572259184 /nfs/dbraw/zinc/25/91/84/572259184.db2.gz KTEPQAGYQLGMIK-JLPGSUDCSA-N 0 0 504.633 5.504 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4C)c(OC)c3)SC2=S)cc1 ZINC000408575373 572260375 /nfs/dbraw/zinc/26/03/75/572260375.db2.gz OBEKCTRWXPYIJA-MYYYXRDXSA-N 0 0 613.555 6.588 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408575284 572260435 /nfs/dbraw/zinc/26/04/35/572260435.db2.gz NPYCAIHFYWMKGA-IWIPYMOSSA-N 0 0 539.078 6.158 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408575868 572260830 /nfs/dbraw/zinc/26/08/30/572260830.db2.gz OTBVITXOTBJSDG-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000408575940 572260833 /nfs/dbraw/zinc/26/08/33/572260833.db2.gz PDOOPNFAUMLAKE-XKZIYDEJSA-N 0 0 603.947 6.843 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000408575961 572260981 /nfs/dbraw/zinc/26/09/81/572260981.db2.gz PALGBTZDRIQYJR-MYYYXRDXSA-N 0 0 518.660 5.731 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Br)cc3C)SC2=S)cc1 ZINC000408576539 572261286 /nfs/dbraw/zinc/26/12/86/572261286.db2.gz WGVUYATZABWASX-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(OC)c3)SC2=S)cc1 ZINC000408576696 572261413 /nfs/dbraw/zinc/26/14/13/572261413.db2.gz YWNHFBZLTVIHDU-IWIPYMOSSA-N 0 0 520.632 5.517 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Br)cc3C)SC2=S)cc1 ZINC000408576652 572261415 /nfs/dbraw/zinc/26/14/15/572261415.db2.gz YHNIEGSZWPCWSD-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408578156 572262850 /nfs/dbraw/zinc/26/28/50/572262850.db2.gz WFTAIUWBMUOJGB-ONUIUJJFSA-N 0 0 625.610 6.926 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408578412 572263041 /nfs/dbraw/zinc/26/30/41/572263041.db2.gz YEKADCFCVGJMEM-XKZIYDEJSA-N 0 0 559.496 6.421 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000408578850 572263366 /nfs/dbraw/zinc/26/33/66/572263366.db2.gz ZSZVVIYJZNOYJA-XYGWBWBKSA-N 0 0 532.687 6.121 40 10 KKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000408601219 572272817 /nfs/dbraw/zinc/27/28/17/572272817.db2.gz JCIYFHXARKOCCP-QGMBQPNBSA-N 0 0 561.748 7.306 40 10 KKCBRN O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408647256 572300396 /nfs/dbraw/zinc/30/03/96/572300396.db2.gz BLQJSTYZHBPSBD-XLVUVUJJSA-N 0 0 675.612 8.724 40 10 KKCBRN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408651011 572302974 /nfs/dbraw/zinc/30/29/74/572302974.db2.gz GESDZZMFNVWVAS-AWRISDJRSA-N 0 0 619.504 7.164 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408664797 572311009 /nfs/dbraw/zinc/31/10/09/572311009.db2.gz KFIVIKNQKDPFQT-UHFFFAOYSA-N 0 0 516.981 6.576 40 10 KKCBRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c(OC)c1 ZINC000408667906 572313051 /nfs/dbraw/zinc/31/30/51/572313051.db2.gz SBRWHKZHPNNYTD-UHFFFAOYSA-N 0 0 542.588 5.940 40 10 KKCBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408670376 572314710 /nfs/dbraw/zinc/31/47/10/572314710.db2.gz ZUEHYFWWWTWIRH-UHFFFAOYSA-N 0 0 595.877 7.339 40 10 KKCBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)c3)C(=O)[C@@H]2C1 ZINC000408675720 572318312 /nfs/dbraw/zinc/31/83/12/572318312.db2.gz BVLMUVFALINGSV-WUFINQPMSA-N 0 0 502.570 6.730 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c(C)c1 ZINC000260562740 572322609 /nfs/dbraw/zinc/32/26/09/572322609.db2.gz BRSIJVXMUQMHEN-WZRHPCBOSA-N 0 0 519.711 6.787 40 10 KKCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c1 ZINC000260569288 572322624 /nfs/dbraw/zinc/32/26/24/572322624.db2.gz PANCPIYBZDIKKI-PUDRWSQFSA-N 0 0 505.684 6.479 40 10 KKCBRN CC1CCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000260712534 572323280 /nfs/dbraw/zinc/32/32/80/572323280.db2.gz IPCBTSCUQRQNQF-QFIPXVFZSA-N 0 0 507.752 5.036 40 10 KKCBRN CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000260720813 572323792 /nfs/dbraw/zinc/32/37/92/572323792.db2.gz UOXMSCVZGTZLNS-JOCHJYFZSA-N 0 0 507.752 5.179 40 10 KKCBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)S(C)(=O)=O)c1 ZINC000260746188 572325202 /nfs/dbraw/zinc/32/52/02/572325202.db2.gz UETDTSCPSQGRKL-ILBGXUMGSA-N 0 0 533.738 5.997 40 10 KKCBRN COc1cc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3)c(OC)c2)ccc1N=N[C@@H](C(C)=O)C(=O)Nc1ccccc1 ZINC000082033398 1069683894 /nfs/dbraw/zinc/68/38/94/1069683894.db2.gz DMPXHEMGDYKSFL-KUTFMJOUSA-N 0 0 620.666 6.731 40 10 KKCBRN O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 ZINC000102687065 1069707245 /nfs/dbraw/zinc/70/72/45/1069707245.db2.gz KBPHCWHNFVWUFS-VFCFBJKWSA-N 0 0 520.658 6.575 40 10 KKCBRN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687400 1069707266 /nfs/dbraw/zinc/70/72/66/1069707266.db2.gz LOUHITLIVZHVOT-VFCFBJKWSA-N 0 0 535.673 5.336 40 10 KKCBRN CCOc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000108423018 1069716716 /nfs/dbraw/zinc/71/67/16/1069716716.db2.gz URWFEVGKXJKJDE-MTJSOVHGSA-N 0 0 604.910 5.534 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408726950 1069736322 /nfs/dbraw/zinc/73/63/22/1069736322.db2.gz WYSFBUSPFASRBY-UHFFFAOYSA-N 0 0 546.623 6.865 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902447 1069751869 /nfs/dbraw/zinc/75/18/69/1069751869.db2.gz NUARSHGFEBNSMH-UDWIEESQSA-N 0 0 734.216 7.643 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409088149 1069772922 /nfs/dbraw/zinc/77/29/22/1069772922.db2.gz DURZYRHTMVFGMK-IWIPYMOSSA-N 0 0 622.744 8.279 40 10 KKCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409135959 1069787261 /nfs/dbraw/zinc/78/72/61/1069787261.db2.gz WUWBSOVBGGBTRL-MTJSOVHGSA-N 0 0 529.481 5.411 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409206099 1069799360 /nfs/dbraw/zinc/79/93/60/1069799360.db2.gz VEFPRCXFQCJCQF-WYMPLXKRSA-N 0 0 662.425 7.260 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409182375 1069796673 /nfs/dbraw/zinc/79/66/73/1069796673.db2.gz KMCFYQDMHKJOSS-FMCGGJTJSA-N 0 0 527.568 6.405 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409346071 1069806031 /nfs/dbraw/zinc/80/60/31/1069806031.db2.gz MNQDDNMONXRPTO-UUYOSTAYSA-N 0 0 578.912 7.625 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408769446 1069875963 /nfs/dbraw/zinc/87/59/63/1069875963.db2.gz VDBJOAOQSNEZQS-GIWPWKNZSA-N 0 0 542.592 5.058 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769974 1069878300 /nfs/dbraw/zinc/87/83/00/1069878300.db2.gz RHLIALADEQTWCW-BUDNTJSZSA-N 0 0 650.595 5.294 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408782176 1069906798 /nfs/dbraw/zinc/90/67/98/1069906798.db2.gz IHIWBQUBIOEWLF-MPHLNHBXSA-N 0 0 604.663 6.196 40 10 KKCBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2c1 ZINC000408787352 1069924484 /nfs/dbraw/zinc/92/44/84/1069924484.db2.gz YJWNOFRBHBVZET-UHFFFAOYSA-N 0 0 522.626 6.386 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408822648 1069983427 /nfs/dbraw/zinc/98/34/27/1069983427.db2.gz BPNNZCPERBYZDO-IKHSWBDUSA-N 0 0 696.667 6.856 40 10 KKCBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408828494 1070007569 /nfs/dbraw/zinc/00/75/69/1070007569.db2.gz NDSBSCMORCLOAV-IGSWSUAKSA-N 0 0 711.931 6.006 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000408840590 1070042706 /nfs/dbraw/zinc/04/27/06/1070042706.db2.gz CNTPBZQQDILFLA-CIAFOILYSA-N 0 0 542.227 6.063 40 10 KKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000408844748 1070050766 /nfs/dbraw/zinc/05/07/66/1070050766.db2.gz UUEZTFCFAUUZHN-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408865386 1070082963 /nfs/dbraw/zinc/08/29/63/1070082963.db2.gz AOLPAHWTWDNMNF-CIAFOILYSA-N 0 0 551.412 5.861 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408865982 1070084670 /nfs/dbraw/zinc/08/46/70/1070084670.db2.gz FPJZNAVFIZJRJI-UHFFFAOYSA-N 0 0 658.492 7.161 40 10 KKCBRN COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408867000 1070086609 /nfs/dbraw/zinc/08/66/09/1070086609.db2.gz HVGFXRKOXYPPNJ-KOEQRZSOSA-N 0 0 508.505 5.023 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408869478 1070091204 /nfs/dbraw/zinc/09/12/04/1070091204.db2.gz RVOAFBUGJIXKNM-UHFFFAOYSA-N 0 0 525.029 6.667 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408870153 1070093371 /nfs/dbraw/zinc/09/33/71/1070093371.db2.gz VHBRARIVQAWKNP-UHFFFAOYSA-N 0 0 553.014 6.819 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408871809 1070096662 /nfs/dbraw/zinc/09/66/62/1070096662.db2.gz XLCLHWVCNZFDOU-OYKKKHCWSA-N 0 0 521.411 5.742 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408873120 1070098485 /nfs/dbraw/zinc/09/84/85/1070098485.db2.gz NCNASFTXUJJQFH-NDENLUEZSA-N 0 0 527.429 5.802 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408874488 1070101667 /nfs/dbraw/zinc/10/16/67/1070101667.db2.gz CMQSCTIRHJUGLS-UHFFFAOYSA-N 0 0 567.041 7.210 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408876179 1070109670 /nfs/dbraw/zinc/10/96/70/1070109670.db2.gz JRZFQWAXAOJFKM-UHFFFAOYSA-N 0 0 559.474 7.321 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408883807 1070117645 /nfs/dbraw/zinc/11/76/45/1070117645.db2.gz QUCMXUSEBLTBHV-UHFFFAOYSA-N 0 0 571.073 7.217 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408883046 1070128511 /nfs/dbraw/zinc/12/85/11/1070128511.db2.gz QEFGSMHTGILYDB-CFRMEGHHSA-N 0 0 521.411 5.742 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408888764 1070130205 /nfs/dbraw/zinc/13/02/05/1070130205.db2.gz AHUYNNSTVCTUSO-UHFFFAOYSA-N 0 0 573.045 6.815 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408882498 1070126100 /nfs/dbraw/zinc/12/61/00/1070126100.db2.gz OLEBQCKGOOMUIH-UHFFFAOYSA-N 0 0 542.566 7.141 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408887982 1070139693 /nfs/dbraw/zinc/13/96/93/1070139693.db2.gz VWXAAUCMOGAKST-UHFFFAOYSA-N 0 0 641.587 7.792 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408892203 1070152889 /nfs/dbraw/zinc/15/28/89/1070152889.db2.gz HFCFPBZDPDUMIT-KQWNVCNZSA-N 0 0 504.380 5.905 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408902113 1070159355 /nfs/dbraw/zinc/15/93/55/1070159355.db2.gz KGIDAPPRSCRIER-BUVRLJJBSA-N 0 0 566.929 8.241 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408901007 1070165994 /nfs/dbraw/zinc/16/59/94/1070165994.db2.gz BLWVAWNWGMFGIK-YDZHTSKRSA-N 0 0 571.474 6.741 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1 ZINC000408901377 1070167820 /nfs/dbraw/zinc/16/78/20/1070167820.db2.gz DTOBGQGWTGPQCI-CIAFOILYSA-N 0 0 634.255 6.589 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000408901472 1070168461 /nfs/dbraw/zinc/16/84/61/1070168461.db2.gz FQCFTNWJPTUOBH-YBFXNURJSA-N 0 0 654.673 6.934 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408903133 1070185566 /nfs/dbraw/zinc/18/55/66/1070185566.db2.gz UVYFGMIRAQLJRX-CIAFOILYSA-N 0 0 556.254 6.605 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408903203 1070185712 /nfs/dbraw/zinc/18/57/12/1070185712.db2.gz VOJMVBKBSSPSAF-HYARGMPZSA-N 0 0 591.467 6.814 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408903200 1070185769 /nfs/dbraw/zinc/18/57/69/1070185769.db2.gz VNXKWGRRYCLMQE-YZSQISJMSA-N 0 0 532.086 7.877 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(I)cc1 ZINC000408903497 1070187144 /nfs/dbraw/zinc/18/71/44/1070187144.db2.gz YRNGSLCYCGKHAQ-CIAFOILYSA-N 0 0 650.254 6.290 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)NC1=S ZINC000408910433 1070201563 /nfs/dbraw/zinc/20/15/63/1070201563.db2.gz KGEISMQVMIAKIP-UUILKARUSA-N 0 0 673.097 5.038 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1 ZINC000408920756 1070227302 /nfs/dbraw/zinc/22/73/02/1070227302.db2.gz LEGOXOWBSZOQPC-JLKMOJGBSA-N 0 0 629.804 5.493 40 10 KKCBRN Cc1cccc(COc2c(I)cc(C=C3SC(=S)NC3=O)cc2I)c1 ZINC000408921725 1070229598 /nfs/dbraw/zinc/22/95/98/1070229598.db2.gz BNCWZVLOVKZVOE-NVNXTCNLSA-N 0 0 593.249 5.272 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000408927379 1070246444 /nfs/dbraw/zinc/24/64/44/1070246444.db2.gz WHOIMRQKAIDPDJ-DMFZDPSVSA-N 0 0 588.733 5.680 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408927451 1070247008 /nfs/dbraw/zinc/24/70/08/1070247008.db2.gz WYKHLFTXPKBLHW-PEPUGYCWSA-N 0 0 658.607 6.659 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408927716 1070248125 /nfs/dbraw/zinc/24/81/25/1070248125.db2.gz XHEACAWKBVFLAJ-HVDVVURSSA-N 0 0 611.764 5.506 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408934233 1070268387 /nfs/dbraw/zinc/26/83/87/1070268387.db2.gz DDBSZHPYNYZUCL-LPYMAVHISA-N 0 0 600.840 6.364 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937010 1070289799 /nfs/dbraw/zinc/28/97/99/1070289799.db2.gz JCFBGPHDIPTMNQ-BBTSICJMSA-N 0 0 730.714 7.879 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408941865 1070301685 /nfs/dbraw/zinc/30/16/85/1070301685.db2.gz QQYZRDMHEVJBBN-VGEDDRPUSA-N 0 0 708.708 7.318 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408943330 1070304734 /nfs/dbraw/zinc/30/47/34/1070304734.db2.gz RWZOXPOJBRJPCN-LPYMAVHISA-N 0 0 564.392 5.777 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408943312 1070304806 /nfs/dbraw/zinc/30/48/06/1070304806.db2.gz RPJAJRFYBGLGDK-YDZHTSKRSA-N 0 0 552.412 6.302 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C2=O)cc1 ZINC000408961104 1070326745 /nfs/dbraw/zinc/32/67/45/1070326745.db2.gz RBSNKAULIJUHEP-XYGWBWBKSA-N 0 0 517.651 6.039 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408974695 1070336197 /nfs/dbraw/zinc/33/61/97/1070336197.db2.gz GXHXQLCWDWBXKZ-UQQQWYQISA-N 0 0 518.407 6.295 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408982273 1070340257 /nfs/dbraw/zinc/34/02/57/1070340257.db2.gz JJIFQMRURCHUBV-LLXISZFLSA-N 0 0 608.163 6.305 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408978437 1070342745 /nfs/dbraw/zinc/34/27/45/1070342745.db2.gz MATOIYNICUQFKQ-KFOJKGMOSA-N 0 0 639.177 5.952 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408979866 1070344501 /nfs/dbraw/zinc/34/45/01/1070344501.db2.gz DDOGYTDWLSEMRX-LHMNITIUSA-N 0 0 617.727 5.130 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Br ZINC000408985949 1070347385 /nfs/dbraw/zinc/34/73/85/1070347385.db2.gz ODTMHPISDNICEX-PTGBLXJZSA-N 0 0 599.506 8.379 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408987498 1070349942 /nfs/dbraw/zinc/34/99/42/1070349942.db2.gz QIMXXOHUKVRMNY-DFXMODJXSA-N 0 0 624.162 6.005 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Cl)c(Cl)c2)N1 ZINC000408991672 1070359069 /nfs/dbraw/zinc/35/90/69/1070359069.db2.gz QWEJMYHNNAJKRG-VWLOTQADSA-N 0 0 525.505 6.906 40 10 KKCBRN CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408990556 1070356220 /nfs/dbraw/zinc/35/62/20/1070356220.db2.gz OCOYGHDZAQWJGC-UHFFFAOYSA-N 0 0 627.546 6.699 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408993442 1070368675 /nfs/dbraw/zinc/36/86/75/1070368675.db2.gz CYCVUUSCAKLQDV-UDWIEESQSA-N 0 0 513.833 7.705 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1 ZINC000408994796 1070371631 /nfs/dbraw/zinc/37/16/31/1070371631.db2.gz JFRZMSZDTZWGCC-IWVFXYMLSA-N 0 0 534.703 6.207 40 10 KKCBRN COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998169 1070372438 /nfs/dbraw/zinc/37/24/38/1070372438.db2.gz IGTYMPXZKNJHTP-CXUHLZMHSA-N 0 0 689.571 7.426 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409003095 1070373572 /nfs/dbraw/zinc/37/35/72/1070373572.db2.gz DHAVXDCYEVWPIE-AFUMVMLFSA-N 0 0 596.467 5.842 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1 ZINC000409000136 1070375573 /nfs/dbraw/zinc/37/55/73/1070375573.db2.gz MPWHQMRFQMZGCO-BXTSTYNKSA-N 0 0 520.676 5.817 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409000991 1070376624 /nfs/dbraw/zinc/37/66/24/1070376624.db2.gz ZOUAMPRTNGNZJO-IWIPYMOSSA-N 0 0 775.346 9.471 40 10 KKCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001472 1070377206 /nfs/dbraw/zinc/37/72/06/1070377206.db2.gz WCJJOGYGAPOLCT-UHFFFAOYSA-N 0 0 607.082 5.540 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4cc(C)ccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409001294 1070377306 /nfs/dbraw/zinc/37/73/06/1070377306.db2.gz OWZZMDJBVNRCLY-URFJJRPFSA-N 0 0 576.722 5.321 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409002059 1070377950 /nfs/dbraw/zinc/37/79/50/1070377950.db2.gz SEYJJRYCKAPDHD-STEKTNRRSA-N 0 0 560.119 5.476 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409004351 1070379496 /nfs/dbraw/zinc/37/94/96/1070379496.db2.gz AOZNTOPUDWEAHK-ZDLGFXPLSA-N 0 0 594.323 6.797 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409005651 1070381494 /nfs/dbraw/zinc/38/14/94/1070381494.db2.gz GCLRBKMEXMTEAV-KOEQRZSOSA-N 0 0 540.729 7.352 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007100 1070383265 /nfs/dbraw/zinc/38/32/65/1070383265.db2.gz MXZRUBHSXXMIJN-CEUNXORHSA-N 0 0 605.716 6.386 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC1=S ZINC000409008198 1070386050 /nfs/dbraw/zinc/38/60/50/1070386050.db2.gz WJDMMJDYOZHBQV-SXGWCWSVSA-N 0 0 558.273 5.920 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409011783 1070389535 /nfs/dbraw/zinc/38/95/35/1070389535.db2.gz HPXSCMOJDKIVLN-UNOMPAQXSA-N 0 0 549.376 7.297 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409018552 1070393275 /nfs/dbraw/zinc/39/32/75/1070393275.db2.gz HRDKNPWIEZXGLH-LDADJPATSA-N 0 0 516.362 5.725 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409016220 1070396017 /nfs/dbraw/zinc/39/60/17/1070396017.db2.gz FXBICZBMNPLLPI-ZJTZAHLKSA-N 0 0 576.118 5.176 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000409017004 1070396924 /nfs/dbraw/zinc/39/69/24/1070396924.db2.gz UUFLPEUJBYLXOA-WSDLNYQXSA-N 0 0 633.282 5.481 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023349 1070400755 /nfs/dbraw/zinc/40/07/55/1070400755.db2.gz KSIQKOFVZCWCDH-GSTVVXAASA-N 0 0 634.733 5.516 40 10 KKCBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n21 ZINC000409022685 1070399865 /nfs/dbraw/zinc/39/98/65/1070399865.db2.gz PGXSXQYVLRDGDM-SZYVSPPHSA-N 0 0 590.145 5.565 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020171 1070403829 /nfs/dbraw/zinc/40/38/29/1070403829.db2.gz MLICIGCSZXAZAO-JVWAILMASA-N 0 0 720.458 8.470 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409026198 1070410415 /nfs/dbraw/zinc/41/04/15/1070410415.db2.gz IOSUFKLGRICKNN-ZDLGFXPLSA-N 0 0 509.809 5.187 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409030705 1070413857 /nfs/dbraw/zinc/41/38/57/1070413857.db2.gz FHFFKUCROMRBMX-MKMNVTDBSA-N 0 0 634.168 7.431 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032937 1070421573 /nfs/dbraw/zinc/42/15/73/1070421573.db2.gz CXOKLEFTXBCFQM-FVUNBJOLSA-N 0 0 613.780 5.618 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(I)cc1 ZINC000409037894 1070426573 /nfs/dbraw/zinc/42/65/73/1070426573.db2.gz OCPOZJJXZBEOEP-LZYBPNLTSA-N 0 0 707.231 7.533 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000409040913 1070443838 /nfs/dbraw/zinc/44/38/38/1070443838.db2.gz IRGFBFOMZWUDRJ-KEPJHFNWSA-N 0 0 652.586 5.896 40 10 KKCBRN Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C1=O ZINC000409045777 1070454633 /nfs/dbraw/zinc/45/46/33/1070454633.db2.gz HZCMDBAAUXMIGH-VCHYOVAHSA-N 0 0 533.770 6.340 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409047830 1070460225 /nfs/dbraw/zinc/46/02/25/1070460225.db2.gz PQIXLPWYSLKTSJ-VCHYOVAHSA-N 0 0 606.654 5.816 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409051658 1070466639 /nfs/dbraw/zinc/46/66/39/1070466639.db2.gz DNPSTZQFVHHOAP-XYGWBWBKSA-N 0 0 549.067 5.988 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409056590 1070469547 /nfs/dbraw/zinc/46/95/47/1070469547.db2.gz MWHBAQBZBCPKTG-CIAFOILYSA-N 0 0 544.218 6.736 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409055005 1070475532 /nfs/dbraw/zinc/47/55/32/1070475532.db2.gz HPHSWPLVFAYBTG-UHFFFAOYSA-N 0 0 593.466 8.309 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000409063732 1070478993 /nfs/dbraw/zinc/47/89/93/1070478993.db2.gz BSTXAUGXQRMRDP-GATIEOLUSA-N 0 0 509.433 6.895 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4Cl)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409065829 1070481792 /nfs/dbraw/zinc/48/17/92/1070481792.db2.gz UNVUCOLKNZTAPH-LMSRTUJASA-N 0 0 566.510 5.513 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409066329 1070482690 /nfs/dbraw/zinc/48/26/90/1070482690.db2.gz BTCMXFIRHZDANG-UHFFFAOYSA-N 0 0 633.476 5.809 40 10 KKCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2ccc(I)cc2)c1 ZINC000409067456 1070484065 /nfs/dbraw/zinc/48/40/65/1070484065.db2.gz YEYOLDABUCKMBN-UHFFFAOYSA-N 0 0 671.535 7.300 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409071897 1070497689 /nfs/dbraw/zinc/49/76/89/1070497689.db2.gz QHKMRDZSEZQUIB-QFFYTCKUSA-N 0 0 552.675 5.003 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080893 1070503259 /nfs/dbraw/zinc/50/32/59/1070503259.db2.gz ODAJQNOEKNJKOR-XYGWBWBKSA-N 0 0 606.289 7.764 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081237 1070504268 /nfs/dbraw/zinc/50/42/68/1070504268.db2.gz GRDWJZLCPHLWEV-UHFFFAOYSA-N 0 0 651.981 8.041 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409085007 1070511274 /nfs/dbraw/zinc/51/12/74/1070511274.db2.gz WHRSKUAOEZTUOB-OOAXWGSJSA-N 0 0 538.625 5.996 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409093452 1070517910 /nfs/dbraw/zinc/51/79/10/1070517910.db2.gz ZJIHUZMGXGFHIK-UZQMFHLOSA-N 0 0 508.036 5.837 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)NC1=S ZINC000409088945 1070522875 /nfs/dbraw/zinc/52/28/75/1070522875.db2.gz HRKRYXKXDJMSCM-NVMNQCDNSA-N 0 0 544.298 6.201 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409089848 1070524058 /nfs/dbraw/zinc/52/40/58/1070524058.db2.gz KNCSHDSUEDYGLG-RQZCQDPDSA-N 0 0 625.195 7.737 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1 ZINC000409090325 1070524483 /nfs/dbraw/zinc/52/44/83/1070524483.db2.gz MIPNEVCCWXOAGM-JLPGSUDCSA-N 0 0 622.744 8.279 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409090366 1070525077 /nfs/dbraw/zinc/52/50/77/1070525077.db2.gz MRQYBTZUAOBLBI-LELXDKESSA-N 0 0 508.434 5.547 40 10 KKCBRN COc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409091884 1070527418 /nfs/dbraw/zinc/52/74/18/1070527418.db2.gz VMLWFFZRRLGFTG-WSDLNYQXSA-N 0 0 573.465 6.264 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409122809 1070548158 /nfs/dbraw/zinc/54/81/58/1070548158.db2.gz BXAZXQMVVCAUTK-HTAGGTJDSA-N 0 0 591.980 6.907 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409133543 1070558346 /nfs/dbraw/zinc/55/83/46/1070558346.db2.gz UKKLXTPRKNLROL-ONUIUJJFSA-N 0 0 547.746 6.016 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409137833 1070561814 /nfs/dbraw/zinc/56/18/14/1070561814.db2.gz YFPNIZUCICGFMB-VLZFXTDASA-N 0 0 527.509 6.390 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409141801 1070565211 /nfs/dbraw/zinc/56/52/11/1070565211.db2.gz BUNRMSLYPFKBRK-BRJLIKDPSA-N 0 0 579.700 5.631 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)cc2)c1 ZINC000409147696 1070566094 /nfs/dbraw/zinc/56/60/94/1070566094.db2.gz ZTVYHRVGHWRURY-OEAKJJBVSA-N 0 0 509.052 6.082 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409149938 1070568408 /nfs/dbraw/zinc/56/84/08/1070568408.db2.gz WBUAUOWTZJYNGW-WSDLNYQXSA-N 0 0 685.392 7.040 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409144930 1070572659 /nfs/dbraw/zinc/57/26/59/1070572659.db2.gz OPMZUIUMXWMJKJ-VKINRBECSA-N 0 0 503.693 6.011 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409160769 1070576038 /nfs/dbraw/zinc/57/60/38/1070576038.db2.gz ZJJMYBIOQGEMHU-OKCVXOCRSA-N 0 0 738.219 6.744 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409160845 1070576092 /nfs/dbraw/zinc/57/60/92/1070576092.db2.gz ZRWZSINJAIDUBE-PBDKAQRYSA-N 0 0 603.340 8.265 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409161394 1070580267 /nfs/dbraw/zinc/58/02/67/1070580267.db2.gz UMNKSZVWRYDGTA-CEYNDMKZSA-N 0 0 531.277 8.170 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409169940 1070580280 /nfs/dbraw/zinc/58/02/80/1070580280.db2.gz RVMYGEHZZOVPST-UUYOSTAYSA-N 0 0 513.541 6.096 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409163856 1070581958 /nfs/dbraw/zinc/58/19/58/1070581958.db2.gz YTWMMQXYIDOFRT-GLDPYIMESA-N 0 0 541.283 7.626 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409179785 1070595536 /nfs/dbraw/zinc/59/55/36/1070595536.db2.gz UVUJVFHTZZMDMD-FMCGGJTJSA-N 0 0 518.006 7.002 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC ZINC000409181229 1070598457 /nfs/dbraw/zinc/59/84/57/1070598457.db2.gz ZSQZQHFLBYXAQN-ZDLGFXPLSA-N 0 0 577.868 6.677 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409181582 1070599117 /nfs/dbraw/zinc/59/91/17/1070599117.db2.gz CYDADXJJIJMXCG-PXLXIMEGSA-N 0 0 616.502 5.815 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185373 1070604949 /nfs/dbraw/zinc/60/49/49/1070604949.db2.gz KXIDNNNSRFUBDV-SXYRFTRLSA-N 0 0 799.396 10.858 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185655 1070605408 /nfs/dbraw/zinc/60/54/08/1070605408.db2.gz OCVXZHPJZWWWAH-SCRXMSBISA-N 0 0 758.691 6.793 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183111 1070601767 /nfs/dbraw/zinc/60/17/67/1070601767.db2.gz AGQPXVYPYFHZDE-BIQSMSKESA-N 0 0 706.220 7.780 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183602 1070602458 /nfs/dbraw/zinc/60/24/58/1070602458.db2.gz CFRVNOAAFIAVSI-YCYBFXTKSA-N 0 0 709.699 8.794 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185804 1070605468 /nfs/dbraw/zinc/60/54/68/1070605468.db2.gz QHKLOKXRCXWIDV-CNQUAOETSA-N 0 0 679.795 6.030 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409199612 1070625089 /nfs/dbraw/zinc/62/50/89/1070625089.db2.gz PLBKBOXSZHEHAU-WPWMEQJKSA-N 0 0 514.672 6.773 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409211776 1070635965 /nfs/dbraw/zinc/63/59/65/1070635965.db2.gz OMPRQNAWKPFOMW-PKAZHMFMSA-N 0 0 508.553 5.432 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409224392 1070651120 /nfs/dbraw/zinc/65/11/20/1070651120.db2.gz HKXCSUXQLLKIAA-QRVIBDJDSA-N 0 0 587.492 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409224412 1070651669 /nfs/dbraw/zinc/65/16/69/1070651669.db2.gz HMXMUEVYGYWKOJ-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409231535 1070656629 /nfs/dbraw/zinc/65/66/29/1070656629.db2.gz LBFYPZIIMUQUDG-JMIUGGIZSA-N 0 0 583.009 6.379 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409234246 1070660007 /nfs/dbraw/zinc/66/00/07/1070660007.db2.gz JLPPODDHYJXWIP-MTJSOVHGSA-N 0 0 573.490 5.778 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409250892 1070667871 /nfs/dbraw/zinc/66/78/71/1070667871.db2.gz ORCCYJIUJGGHNL-MTJSOVHGSA-N 0 0 559.463 5.470 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409242689 1070670662 /nfs/dbraw/zinc/67/06/62/1070670662.db2.gz SHIUUMPNZVICRJ-JLPGSUDCSA-N 0 0 553.105 6.118 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409247397 1070664257 /nfs/dbraw/zinc/66/42/57/1070664257.db2.gz BYYPPWZUDXJCJY-ZWXNIRCYSA-N 0 0 532.687 6.292 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409254865 1070673410 /nfs/dbraw/zinc/67/34/10/1070673410.db2.gz JHPWLFNPMVPYCI-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409256557 1070676098 /nfs/dbraw/zinc/67/60/98/1070676098.db2.gz LZWHARHUAYUDHV-UCQKPKSFSA-N 0 0 525.051 5.450 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409256530 1070676202 /nfs/dbraw/zinc/67/62/02/1070676202.db2.gz PCLOAUZYJOJSEG-PKAZHMFMSA-N 0 0 640.092 6.310 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1 ZINC000409258703 1070679698 /nfs/dbraw/zinc/67/96/98/1070679698.db2.gz ZGIGVIGBUYPUIU-QFEZKATASA-N 0 0 548.642 5.233 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409253553 1070686191 /nfs/dbraw/zinc/68/61/91/1070686191.db2.gz ZPCHJTALPAGJJT-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000409265164 1070688145 /nfs/dbraw/zinc/68/81/45/1070688145.db2.gz SPHMGUDYXMRFRB-JLPGSUDCSA-N 0 0 523.079 6.110 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409265609 1070688926 /nfs/dbraw/zinc/68/89/26/1070688926.db2.gz UDEHYGSYMLZFQN-WQRHYEAKSA-N 0 0 511.452 5.631 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000409251476 1070681922 /nfs/dbraw/zinc/68/19/22/1070681922.db2.gz QLBBXRBWCVMWGB-IWIPYMOSSA-N 0 0 539.078 6.334 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409265729 1070689765 /nfs/dbraw/zinc/68/97/65/1070689765.db2.gz OGJXXASBEJSRFF-MYYYXRDXSA-N 0 0 534.659 5.826 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)ccc1Br ZINC000409252237 1070683332 /nfs/dbraw/zinc/68/33/32/1070683332.db2.gz WWAISKNDZCEERF-IWIPYMOSSA-N 0 0 582.545 6.247 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409252846 1070684550 /nfs/dbraw/zinc/68/45/50/1070684550.db2.gz UERVUOIECHDCJP-XYGWBWBKSA-N 0 0 532.687 6.434 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409266931 1070691307 /nfs/dbraw/zinc/69/13/07/1070691307.db2.gz SIKKMLISZYMRLB-SZJFIWSWSA-N 0 0 546.714 6.600 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409267664 1070692775 /nfs/dbraw/zinc/69/27/75/1070692775.db2.gz VOZGGBHQPNNKJP-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OCC)c2)SC1=S ZINC000409267638 1070692830 /nfs/dbraw/zinc/69/28/30/1070692830.db2.gz VIBOLTRPVFGKTP-XKZIYDEJSA-N 0 0 519.088 6.066 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409259830 1070695132 /nfs/dbraw/zinc/69/51/32/1070695132.db2.gz GEXSRESHFKNKNN-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409260837 1070696264 /nfs/dbraw/zinc/69/62/64/1070696264.db2.gz XIDMJFSGOAZHLW-MOSHPQCFSA-N 0 0 535.485 5.477 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)SC1=S ZINC000409260892 1070696290 /nfs/dbraw/zinc/69/62/90/1070696290.db2.gz YDDRYKRAYFPQDO-MOSHPQCFSA-N 0 0 535.485 5.013 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409260665 1070696313 /nfs/dbraw/zinc/69/63/13/1070696313.db2.gz UHMVTKCXHFBPJO-ONUIUJJFSA-N 0 0 546.714 6.688 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)c(C)c1 ZINC000409262941 1070699193 /nfs/dbraw/zinc/69/91/93/1070699193.db2.gz KTAAMFOFYKZITF-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1 ZINC000409270026 1070704644 /nfs/dbraw/zinc/70/46/44/1070704644.db2.gz NUNFXOMYOZAADT-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000409270060 1070704746 /nfs/dbraw/zinc/70/47/46/1070704746.db2.gz BPQKYMOBPPMJTI-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S ZINC000409273257 1070711982 /nfs/dbraw/zinc/71/19/82/1070711982.db2.gz WQSZKKNWALGDKK-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2OC)cc1 ZINC000409271219 1070707826 /nfs/dbraw/zinc/70/78/26/1070707826.db2.gz KRBMTBQNGNZJAY-UQQQWYQISA-N 0 0 534.659 5.165 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880682 1070786345 /nfs/dbraw/zinc/78/63/45/1070786345.db2.gz GTKXUHRLRPXEIN-UHFFFAOYSA-N 0 0 577.851 7.809 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408878697 1070799228 /nfs/dbraw/zinc/79/92/28/1070799228.db2.gz BKRWWZMZPXGPSR-UHFFFAOYSA-N 0 0 555.055 6.676 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408878250 1070801801 /nfs/dbraw/zinc/80/18/01/1070801801.db2.gz YVVXNJHIWKONJS-ZCTHSVRISA-N 0 0 631.150 6.818 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408878138 1070802640 /nfs/dbraw/zinc/80/26/40/1070802640.db2.gz WUZYVLYTZFNKPW-UHFFFAOYSA-N 0 0 660.533 6.936 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408877940 1070803617 /nfs/dbraw/zinc/80/36/17/1070803617.db2.gz YNLJTIUMPSZRQI-UHFFFAOYSA-N 0 0 612.489 6.225 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F ZINC000408877981 1070803938 /nfs/dbraw/zinc/80/39/38/1070803938.db2.gz ZLSASIHWBNARNX-UHFFFAOYSA-N 0 0 520.560 6.399 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408877740 1070804433 /nfs/dbraw/zinc/80/44/33/1070804433.db2.gz UFPCKCBESSIORE-UHFFFAOYSA-N 0 0 568.629 7.319 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408889092 1070810154 /nfs/dbraw/zinc/81/01/54/1070810154.db2.gz DOGKKSRUCRJTIO-UHFFFAOYSA-N 0 0 587.072 7.205 40 10 KKCBRN Cc1ccc(COc2c(I)cc(C=C3SC(=S)NC3=O)cc2I)cc1 ZINC000408890872 1070822070 /nfs/dbraw/zinc/82/20/70/1070822070.db2.gz HRXCONSVTBRXBM-NVNXTCNLSA-N 0 0 593.249 5.272 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000409327051 1070827924 /nfs/dbraw/zinc/82/79/24/1070827924.db2.gz HDIIVUYFFIMVHU-VCHYOVAHSA-N 0 0 575.877 6.156 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409328509 1070829551 /nfs/dbraw/zinc/82/95/51/1070829551.db2.gz WSNTVOGVZTVITJ-UUYOSTAYSA-N 0 0 642.367 7.982 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409329077 1070830821 /nfs/dbraw/zinc/83/08/21/1070830821.db2.gz COZXATWSLRQSJV-LDADJPATSA-N 0 0 523.430 5.951 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O ZINC000409329701 1070831807 /nfs/dbraw/zinc/83/18/07/1070831807.db2.gz HPIMCLJTHVAHKV-CXUHLZMHSA-N 0 0 623.275 5.709 40 10 KKCBRN CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409329574 1070832143 /nfs/dbraw/zinc/83/21/43/1070832143.db2.gz GDTVMTYVASQWLE-GZTJUZNOSA-N 0 0 527.405 5.113 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)SC2=S)cc1 ZINC000409329635 1070832244 /nfs/dbraw/zinc/83/22/44/1070832244.db2.gz GOHJGVDGSPPFQL-ZVHZXABRSA-N 0 0 567.601 6.499 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)cc1 ZINC000409329990 1070832478 /nfs/dbraw/zinc/83/24/78/1070832478.db2.gz IPMBTKBYWOTSNJ-HZHRSRAPSA-N 0 0 525.493 6.500 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409331295 1070834652 /nfs/dbraw/zinc/83/46/52/1070834652.db2.gz NXDSLZFGTXLZBC-MTJSOVHGSA-N 0 0 532.521 6.820 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000409333730 1070839000 /nfs/dbraw/zinc/83/90/00/1070839000.db2.gz VKCVFAGZFUJEKB-WYMPLXKRSA-N 0 0 525.482 7.411 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409332781 1070837298 /nfs/dbraw/zinc/83/72/98/1070837298.db2.gz RUHNMDOFBSLTBA-YDZHTSKRSA-N 0 0 524.595 5.266 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409334205 1070840316 /nfs/dbraw/zinc/84/03/16/1070840316.db2.gz VDAPXXKXBONWPB-QRVIBDJDSA-N 0 0 516.471 7.377 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000409334400 1070840532 /nfs/dbraw/zinc/84/05/32/1070840532.db2.gz XKPKFCSJTOZPMF-DHDCSXOGSA-N 0 0 532.222 5.468 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409340410 1070846751 /nfs/dbraw/zinc/84/67/51/1070846751.db2.gz WQGHMTCPACUCKG-ODLFYWEKSA-N 0 0 501.992 5.862 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409339934 1070845488 /nfs/dbraw/zinc/84/54/88/1070845488.db2.gz MZAPZYWRNUSZBM-KEBDBYFISA-N 0 0 658.861 7.368 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409341865 1070849020 /nfs/dbraw/zinc/84/90/20/1070849020.db2.gz AIPANSZPFZMMDQ-WYMPLXKRSA-N 0 0 589.522 6.824 40 10 KKCBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409342308 1070849174 /nfs/dbraw/zinc/84/91/74/1070849174.db2.gz DEJHJKSORLKQQH-FBHDLOMBSA-N 0 0 529.020 6.534 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409335185 1070855180 /nfs/dbraw/zinc/85/51/80/1070855180.db2.gz ZHOXPVGRQACURO-FYJGNVAPSA-N 0 0 516.869 7.087 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409342881 1070850786 /nfs/dbraw/zinc/85/07/86/1070850786.db2.gz FDPPCPTVNRBUQL-SSDVNMTOSA-N 0 0 613.357 8.279 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409343118 1070851385 /nfs/dbraw/zinc/85/13/85/1070851385.db2.gz DLTQIIOFUFTELW-CHHVJCJISA-N 0 0 505.242 6.179 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408894455 1070855314 /nfs/dbraw/zinc/85/53/14/1070855314.db2.gz IFIRAAXTRQLEFF-UHFFFAOYSA-N 0 0 589.094 6.164 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409343153 1070851601 /nfs/dbraw/zinc/85/16/01/1070851601.db2.gz DQCZZSWQHQJGPE-JMIUGGIZSA-N 0 0 524.492 5.609 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409343601 1070851960 /nfs/dbraw/zinc/85/19/60/1070851960.db2.gz HZWGUBWFYJHXCS-NDENLUEZSA-N 0 0 504.416 6.836 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409343493 1070852151 /nfs/dbraw/zinc/85/21/51/1070852151.db2.gz HUPWNWMLSDGBGJ-OYKKKHCWSA-N 0 0 635.976 7.945 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc(OCC)cc5s4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409337491 1070859548 /nfs/dbraw/zinc/85/95/48/1070859548.db2.gz VPNSEJZVSQBILG-FBRKSOCZSA-N 0 0 646.816 5.617 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000409338305 1070860510 /nfs/dbraw/zinc/86/05/10/1070860510.db2.gz HMWMVZQRUXCPRG-FSJBWODESA-N 0 0 578.912 7.625 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409338556 1070861048 /nfs/dbraw/zinc/86/10/48/1070861048.db2.gz LYSCLWCWYOSBFM-FYJGNVAPSA-N 0 0 525.995 5.373 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 ZINC000409347874 1070865376 /nfs/dbraw/zinc/86/53/76/1070865376.db2.gz NGSMNALZZXWKJU-YDZHTSKRSA-N 0 0 559.040 5.622 40 10 KKCBRN O=C(COc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)Nc1ccccc1 ZINC000409352984 1070871673 /nfs/dbraw/zinc/87/16/73/1070871673.db2.gz ZVMBHKYZRBZSKF-ZMOGYAJESA-N 0 0 547.702 5.153 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409349669 1070867358 /nfs/dbraw/zinc/86/73/58/1070867358.db2.gz VSUHPYUNVVTWFD-QQXSKIMKSA-N 0 0 501.652 6.609 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC ZINC000409349606 1070867625 /nfs/dbraw/zinc/86/76/25/1070867625.db2.gz VSOFOORRGVRDJL-QGOAFFKASA-N 0 0 531.481 6.013 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)c(OC)c3)SC2=S)cc1 ZINC000409350251 1070868014 /nfs/dbraw/zinc/86/80/14/1070868014.db2.gz XJFHNFGPEGFUOF-PKAZHMFMSA-N 0 0 562.713 6.641 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409350631 1070868813 /nfs/dbraw/zinc/86/88/13/1070868813.db2.gz YPEUWTPGJKSZSL-MFOYZWKCSA-N 0 0 503.270 6.951 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409351145 1070869508 /nfs/dbraw/zinc/86/95/08/1070869508.db2.gz ZPBBBBNKHIAFRS-NVNXTCNLSA-N 0 0 593.249 5.619 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409352725 1070871220 /nfs/dbraw/zinc/87/12/20/1070871220.db2.gz YVNLYERPCVNKCX-MTJSOVHGSA-N 0 0 591.486 5.839 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409352731 1070871291 /nfs/dbraw/zinc/87/12/91/1070871291.db2.gz YIUDGJVVDOSMDE-FSJBWODESA-N 0 0 609.394 8.448 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409345377 1070876520 /nfs/dbraw/zinc/87/65/20/1070876520.db2.gz LSEFSXREJNGNKH-LPYMAVHISA-N 0 0 589.920 6.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409345946 1070877461 /nfs/dbraw/zinc/87/74/61/1070877461.db2.gz METZEDWOWJQTBB-FMCGGJTJSA-N 0 0 656.394 8.290 40 10 KKCBRN O=C1C(=Cc2c(OCc3ccccc3Br)ccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408891536 1070877778 /nfs/dbraw/zinc/87/77/78/1070877778.db2.gz SCPAZTFXAMBPRG-UHFFFAOYSA-N 0 0 603.472 7.765 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409346152 1070877867 /nfs/dbraw/zinc/87/78/67/1070877867.db2.gz MRIPVKIGDPBMBU-LPYMAVHISA-N 0 0 607.922 7.246 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409358200 1070885487 /nfs/dbraw/zinc/88/54/87/1070885487.db2.gz KPZOUIIVZVNKOD-JDHYJCPJSA-N 0 0 582.517 7.242 40 10 KKCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000409359649 1070887289 /nfs/dbraw/zinc/88/72/89/1070887289.db2.gz XGSGATPJSNKWQI-UNOMPAQXSA-N 0 0 522.442 5.196 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408889660 1070888089 /nfs/dbraw/zinc/88/80/89/1070888089.db2.gz IOPPFAPLZDTWKG-UHFFFAOYSA-N 0 0 526.951 6.642 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(F)F ZINC000409367806 1070890812 /nfs/dbraw/zinc/89/08/12/1070890812.db2.gz GWDOUDYADDDTAV-PXNMLYILSA-N 0 0 534.393 5.931 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409368215 1070891749 /nfs/dbraw/zinc/89/17/49/1070891749.db2.gz UVGNAHVWLZJHHQ-VIZOYTHASA-N 0 0 563.282 5.798 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408905672 1070899070 /nfs/dbraw/zinc/89/90/70/1070899070.db2.gz CERUMOHVFJCJBD-OGLMXYFKSA-N 0 0 686.013 7.504 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408906818 1070893599 /nfs/dbraw/zinc/89/35/99/1070893599.db2.gz KWVODNLEUUJETJ-NDZAJKAJSA-N 0 0 631.150 6.818 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409370720 1070894034 /nfs/dbraw/zinc/89/40/34/1070894034.db2.gz AOTSVKKGPSXIBE-KEBDBYFISA-N 0 0 551.908 6.992 40 10 KKCBRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409372404 1070896366 /nfs/dbraw/zinc/89/63/66/1070896366.db2.gz MVTJZCREIOYDMB-VXLYETTFSA-N 0 0 565.416 6.108 40 10 KKCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000409373240 1070897143 /nfs/dbraw/zinc/89/71/43/1070897143.db2.gz PERQNBQDJIXESX-NDENLUEZSA-N 0 0 518.408 5.172 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408903282 1070904944 /nfs/dbraw/zinc/90/49/44/1070904944.db2.gz WYIWDLRVVMGMIE-LQKURTRISA-N 0 0 530.455 7.786 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408903006 1070906036 /nfs/dbraw/zinc/90/60/36/1070906036.db2.gz UDIQPFHJNBOXNF-UDWIEESQSA-N 0 0 606.317 7.105 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(I)cc1 ZINC000408903232 1070906053 /nfs/dbraw/zinc/90/60/53/1070906053.db2.gz WBRLKURVWGOKLZ-CIAFOILYSA-N 0 0 603.254 6.447 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408903255 1070906198 /nfs/dbraw/zinc/90/61/98/1070906198.db2.gz WLFNEWNXEBYGRC-MTDXEUNCSA-N 0 0 508.603 6.960 40 10 KKCBRN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)c1 ZINC000408902607 1070910006 /nfs/dbraw/zinc/91/00/06/1070910006.db2.gz OTRVERQHGCFWLR-HYARGMPZSA-N 0 0 543.451 6.584 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409393175 1070906968 /nfs/dbraw/zinc/90/69/68/1070906968.db2.gz VAUCXOOFJSPGGO-ULJHMMPZSA-N 0 0 512.034 6.111 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)o1 ZINC000409386452 1070908348 /nfs/dbraw/zinc/90/83/48/1070908348.db2.gz QDKLRTBAHYJUEK-AWQFTUOYSA-N 0 0 533.375 5.612 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)o1 ZINC000409387888 1070910335 /nfs/dbraw/zinc/91/03/35/1070910335.db2.gz XWWQNEPQRQBXQB-IPPBACCNSA-N 0 0 570.711 7.178 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc2ccccc21 ZINC000408902505 1070912023 /nfs/dbraw/zinc/91/20/23/1070912023.db2.gz OSMLNXIKKIUWOL-MFKUBSTISA-N 0 0 527.418 6.996 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902476 1070912099 /nfs/dbraw/zinc/91/20/99/1070912099.db2.gz OFUGZLJHSCMYDR-HYARGMPZSA-N 0 0 527.023 6.632 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408902262 1070912432 /nfs/dbraw/zinc/91/24/32/1070912432.db2.gz MPJNUHSZRBECQR-HYARGMPZSA-N 0 0 607.922 7.328 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000408902207 1070913808 /nfs/dbraw/zinc/91/38/08/1070913808.db2.gz LXFXSICKNRAPMI-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408901950 1070914686 /nfs/dbraw/zinc/91/46/86/1070914686.db2.gz JHRLAEBCOILYJU-LPYMAVHISA-N 0 0 572.830 6.728 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(I)cc1 ZINC000408901834 1070916019 /nfs/dbraw/zinc/91/60/19/1070916019.db2.gz HQVNZYAJEBYSLR-LPYMAVHISA-N 0 0 664.281 6.680 40 10 KKCBRN Cc1cccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408901842 1070916110 /nfs/dbraw/zinc/91/61/10/1070916110.db2.gz HTXBMDQYXRARLM-FYJGNVAPSA-N 0 0 575.347 7.505 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408900958 1070926001 /nfs/dbraw/zinc/92/60/01/1070926001.db2.gz AOVQZHHQDZCLHE-WGOQTCKBSA-N 0 0 588.445 7.228 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C)cc1 ZINC000408900935 1070926024 /nfs/dbraw/zinc/92/60/24/1070926024.db2.gz AGKVPXPYIINSEH-LPYMAVHISA-N 0 0 538.385 5.993 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408898820 1070952932 /nfs/dbraw/zinc/95/29/32/1070952932.db2.gz XUTULNPFDCFYDL-UHFFFAOYSA-N 0 0 573.045 6.815 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408898431 1070958392 /nfs/dbraw/zinc/95/83/92/1070958392.db2.gz LFFREEHRJXEVGQ-UHFFFAOYSA-N 0 0 571.402 6.751 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408908871 1070981544 /nfs/dbraw/zinc/98/15/44/1070981544.db2.gz STQNJMKSOWYYCF-VUTHCHCSSA-N 0 0 614.695 6.304 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)NC1=S ZINC000408911607 1071060018 /nfs/dbraw/zinc/06/00/18/1071060018.db2.gz ABBKSQXVNDXTKR-RQZCQDPDSA-N 0 0 560.267 5.200 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000408920760 1071102136 /nfs/dbraw/zinc/10/21/36/1071102136.db2.gz LEWDLMZUBKOKIF-ZGOFBEGVSA-N 0 0 546.092 5.248 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccccc1 ZINC000408920759 1071102163 /nfs/dbraw/zinc/10/21/63/1071102163.db2.gz LEWDLMZUBKOKIF-BIWBSIMWSA-N 0 0 546.092 5.248 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408928315 1071185465 /nfs/dbraw/zinc/18/54/65/1071185465.db2.gz ZSNIISZGNVZXSF-ISZRBDKASA-N 0 0 635.746 5.084 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc2ccccc21 ZINC000208703524 1071213762 /nfs/dbraw/zinc/21/37/62/1071213762.db2.gz OKVANCNLSQUJAV-OYKKKHCWSA-N 0 0 529.555 6.854 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934482 1071234912 /nfs/dbraw/zinc/23/49/12/1071234912.db2.gz BBPVRJHFQFGZNP-HYARGMPZSA-N 0 0 520.339 5.378 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 ZINC000408933016 1071247553 /nfs/dbraw/zinc/24/75/53/1071247553.db2.gz GRBUEDNTIKPYJL-XYGWBWBKSA-N 0 0 520.630 5.754 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000408932616 1071248796 /nfs/dbraw/zinc/24/87/96/1071248796.db2.gz YFLZEUYAWJJMDT-XKZIYDEJSA-N 0 0 524.440 5.840 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946489 1071267854 /nfs/dbraw/zinc/26/78/54/1071267854.db2.gz YOJLVIXMTHCVSS-ZXXDOZTISA-N 0 0 740.720 7.335 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000408944172 1071287113 /nfs/dbraw/zinc/28/71/13/1071287113.db2.gz IPUIKXPBMKWJPC-YWEMJKAQSA-N 0 0 602.760 5.989 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)cc6Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408942740 1071297297 /nfs/dbraw/zinc/29/72/97/1071297297.db2.gz LBQJIAOSFWQVRR-VWQVDNQHSA-N 0 0 732.686 7.109 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cccc(F)c1 ZINC000408939673 1071322064 /nfs/dbraw/zinc/32/20/64/1071322064.db2.gz NFMYXLKVGBZPAJ-CIAFOILYSA-N 0 0 570.358 5.460 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OCC)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)cc1 ZINC000408950143 1071357178 /nfs/dbraw/zinc/35/71/78/1071357178.db2.gz RQAYZMKSYGFEDL-VWGWLNKZSA-N 0 0 660.796 5.857 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6Cl)cc5)c4C)c(=O)n32)cc1OCC ZINC000408948266 1071365971 /nfs/dbraw/zinc/36/59/71/1071365971.db2.gz QZWXDIGUNBYPSV-RVKRRNEASA-N 0 0 698.241 6.455 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n21 ZINC000408954883 1071388193 /nfs/dbraw/zinc/38/81/93/1071388193.db2.gz PPVJDQNKSKKQMG-QVPVGFNESA-N 0 0 673.004 6.158 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccc(Cl)cc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408954462 1071391372 /nfs/dbraw/zinc/39/13/72/1071391372.db2.gz WYKQGIXIOVBCST-IGCAUWKCSA-N 0 0 698.241 6.455 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000408959450 1071437262 /nfs/dbraw/zinc/43/72/62/1071437262.db2.gz ZRTPUYYSEKDXCY-DQARITGZSA-N 0 0 655.014 6.019 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1C ZINC000408959796 1071435138 /nfs/dbraw/zinc/43/51/38/1071435138.db2.gz GBARRSIQTACZSV-IWIPYMOSSA-N 0 0 501.652 6.257 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408972912 1071448550 /nfs/dbraw/zinc/44/85/50/1071448550.db2.gz WXOWOHCYRMAISU-HAHDFKILSA-N 0 0 504.468 6.255 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973016 1071449122 /nfs/dbraw/zinc/44/91/22/1071449122.db2.gz XHQNISWWTNAXLM-PDGQHHTCSA-N 0 0 519.292 6.516 40 10 KKCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000408970835 1071454506 /nfs/dbraw/zinc/45/45/06/1071454506.db2.gz LBFYQZUHJSRPSB-UHFFFAOYSA-N 0 0 527.017 5.288 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970807 1071454531 /nfs/dbraw/zinc/45/45/31/1071454531.db2.gz KNRMVGVPKJKMOD-MOSHPQCFSA-N 0 0 514.334 7.345 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(I)cc1 ZINC000408969396 1071459538 /nfs/dbraw/zinc/45/95/38/1071459538.db2.gz NCVCPMJFNQOYRN-MOSHPQCFSA-N 0 0 535.307 6.047 40 10 KKCBRN CCOC(=O)N1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nc5c6ccccc6c6ccccc6c5nc4c3)cc2)CC1 ZINC000408975586 1071475278 /nfs/dbraw/zinc/47/52/78/1071475278.db2.gz NMTMKXCRKXCXPM-UHFFFAOYSA-N 0 0 615.715 6.780 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(I)c4)C3=O)o2)cc1 ZINC000408987088 1071481775 /nfs/dbraw/zinc/48/17/75/1071481775.db2.gz VOKIBCAZLDZCFG-CJLVFECKSA-N 0 0 573.386 6.809 40 10 KKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(I)c1 ZINC000408986640 1071488076 /nfs/dbraw/zinc/48/80/76/1071488076.db2.gz RUDHDIHWRCRBGJ-GZTJUZNOSA-N 0 0 518.181 7.069 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408984646 1071507136 /nfs/dbraw/zinc/50/71/36/1071507136.db2.gz IWTJYAJXFCLMGO-OGLMXYFKSA-N 0 0 580.566 8.787 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408726807 1071510786 /nfs/dbraw/zinc/51/07/86/1071510786.db2.gz VIQHUQRMLZKJDG-UHFFFAOYSA-N 0 0 562.691 7.029 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408726867 1071511466 /nfs/dbraw/zinc/51/14/66/1071511466.db2.gz NMJDCPPQEBFSOJ-XKZIYDEJSA-N 0 0 512.996 6.242 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408984213 1071511461 /nfs/dbraw/zinc/51/14/61/1071511461.db2.gz MDEIUQIJKQALBO-FOQAXWDGSA-N 0 0 647.797 5.977 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408725707 1071520036 /nfs/dbraw/zinc/52/00/36/1071520036.db2.gz NAYQDKAHUGXVRK-UHFFFAOYSA-N 0 0 597.136 7.683 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408725554 1071520106 /nfs/dbraw/zinc/52/01/06/1071520106.db2.gz KDKRAQADUXZAAS-UHFFFAOYSA-N 0 0 591.620 6.773 40 10 KKCBRN O=C1SC(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000408726530 1071516275 /nfs/dbraw/zinc/51/62/75/1071516275.db2.gz MQMSILOCSFCHHA-ZDKVOIAMSA-N 0 0 520.397 8.509 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408726345 1071516826 /nfs/dbraw/zinc/51/68/26/1071516826.db2.gz NCCHEUICFOXOOM-PBKKUYBVSA-N 0 0 610.519 5.241 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726443 1071517333 /nfs/dbraw/zinc/51/73/33/1071517333.db2.gz RPJUASPSCXFIMT-UHFFFAOYSA-N 0 0 617.554 7.946 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408726422 1071517426 /nfs/dbraw/zinc/51/74/26/1071517426.db2.gz NNSPDBMRHHYKOQ-WQNUKSJVSA-N 0 0 626.562 5.530 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408725827 1071518912 /nfs/dbraw/zinc/51/89/12/1071518912.db2.gz KYJBZAWRDFYJLF-JBDHCHCMSA-N 0 0 667.569 5.127 40 10 KKCBRN CCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408725197 1071521111 /nfs/dbraw/zinc/52/11/11/1071521111.db2.gz IHPGBJAMZOYJHZ-UHFFFAOYSA-N 0 0 500.620 5.849 40 10 KKCBRN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccccc1I ZINC000408725099 1071522406 /nfs/dbraw/zinc/52/24/06/1071522406.db2.gz CTFPVARNWONOAF-MOSHPQCFSA-N 0 0 588.404 5.824 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(N(C)C)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000408982959 1071522453 /nfs/dbraw/zinc/52/24/53/1071522453.db2.gz KDOPOTZBVLBMDZ-ZJZHBOIVSA-N 0 0 613.736 5.081 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408724946 1071522944 /nfs/dbraw/zinc/52/29/44/1071522944.db2.gz FFXDLHHXBIEUEQ-WEMUVCOSSA-N 0 0 596.683 8.018 40 10 KKCBRN COc1cc(Br)c(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000408724959 1071522992 /nfs/dbraw/zinc/52/29/92/1071522992.db2.gz FKSZUCBLGRYJRY-UHFFFAOYSA-N 0 0 535.394 5.667 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1 ZINC000408982964 1071523331 /nfs/dbraw/zinc/52/33/31/1071523331.db2.gz KEQHFVMMFBTNFQ-ITNPZBTBSA-N 0 0 569.727 5.220 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408982189 1071528633 /nfs/dbraw/zinc/52/86/33/1071528633.db2.gz IXGLUSFPBHKGOL-RGFRMHDHSA-N 0 0 557.741 5.236 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n32)c(OC)c1 ZINC000408981113 1071536304 /nfs/dbraw/zinc/53/63/04/1071536304.db2.gz ZMDJVKYFXHDDKD-AHDXEZHLSA-N 0 0 632.786 5.915 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408979378 1071544912 /nfs/dbraw/zinc/54/49/12/1071544912.db2.gz CDRBXKTXRUWINE-ADUBFANXSA-N 0 0 677.779 5.147 40 10 KKCBRN CN(C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1)c1ccc2ccccc2c1 ZINC000408978373 1071549094 /nfs/dbraw/zinc/54/90/94/1071549094.db2.gz ZASDXAVCTBYCLI-UHFFFAOYSA-N 0 0 614.730 9.295 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734496 1071564765 /nfs/dbraw/zinc/56/47/65/1071564765.db2.gz HCMJOVDEMBNMEL-JLKMOJGBSA-N 0 0 664.622 5.766 40 10 KKCBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734636 1071563581 /nfs/dbraw/zinc/56/35/81/1071563581.db2.gz AQPBJEPJJUEMCF-FQEVSTJZSA-N 0 0 505.622 6.202 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1C ZINC000408993520 1071564355 /nfs/dbraw/zinc/56/43/55/1071564355.db2.gz DSLSZGBLKSQSKO-IWVFXYMLSA-N 0 0 518.704 6.425 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408992946 1071568345 /nfs/dbraw/zinc/56/83/45/1071568345.db2.gz UFOUVIRJSMXDBD-UHFFFAOYSA-N 0 0 769.930 9.590 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408993009 1071568911 /nfs/dbraw/zinc/56/89/11/1071568911.db2.gz UOENYZKTCQQJGS-CONSDPRKSA-N 0 0 801.972 9.017 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCc2ccc(Cl)cc2Cl)N1 ZINC000408992864 1071570036 /nfs/dbraw/zinc/57/00/36/1071570036.db2.gz UTXKJPLBFRZBEY-VWLOTQADSA-N 0 0 525.505 6.906 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 ZINC000408992846 1071570115 /nfs/dbraw/zinc/57/01/15/1071570115.db2.gz TWIGHFTZOAGTMW-YVLHZVERSA-N 0 0 521.626 5.330 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408991969 1071576169 /nfs/dbraw/zinc/57/61/69/1071576169.db2.gz PKFMGKHWPZPWDG-UHFFFAOYSA-N 0 0 804.375 10.243 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408992005 1071576608 /nfs/dbraw/zinc/57/66/08/1071576608.db2.gz PWHBJGJXSGWIOC-UHFFFAOYSA-N 0 0 538.610 5.889 40 10 KKCBRN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408992018 1071576655 /nfs/dbraw/zinc/57/66/55/1071576655.db2.gz PZIDCTFIHNALHM-SVBPBHIXSA-N 0 0 842.808 9.707 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408991550 1071581156 /nfs/dbraw/zinc/58/11/56/1071581156.db2.gz YJASEKFXAKFIEB-NULZLWRNSA-N 0 0 571.768 5.545 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408991721 1071579124 /nfs/dbraw/zinc/57/91/24/1071579124.db2.gz OZHUAFUPCDNGMK-UHFFFAOYSA-N 0 0 595.771 8.022 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408727901 1071598593 /nfs/dbraw/zinc/59/85/93/1071598593.db2.gz YFCRHBQPKCUQMA-GVMLUORFSA-N 0 0 610.961 5.622 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408727902 1071598663 /nfs/dbraw/zinc/59/86/63/1071598663.db2.gz YFCRHBQPKCUQMA-KMBIYUNPSA-N 0 0 610.961 5.622 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3c(OC)ccc5ccccc53)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408727741 1071599462 /nfs/dbraw/zinc/59/94/62/1071599462.db2.gz WLKGCFLJTAPDLL-UFKHLRDRSA-N 0 0 649.769 5.544 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408727577 1071599918 /nfs/dbraw/zinc/59/99/18/1071599918.db2.gz UHFGISNTEWKXCU-XGLZOBASSA-N 0 0 671.988 5.772 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408727591 1071600063 /nfs/dbraw/zinc/60/00/63/1071600063.db2.gz UNGRJLTYQMAUGH-LNXFQTKESA-N 0 0 600.955 6.166 40 10 KKCBRN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(I)c1 ZINC000408739285 1071604962 /nfs/dbraw/zinc/60/49/62/1071604962.db2.gz VEIUABGAIUCMRQ-QGOAFFKASA-N 0 0 528.187 6.525 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739067 1071605600 /nfs/dbraw/zinc/60/56/00/1071605600.db2.gz SMUTZWXSVFWPBC-PKYOQBLNSA-N 0 0 590.145 5.566 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408988193 1071607293 /nfs/dbraw/zinc/60/72/93/1071607293.db2.gz RCQJTLFWGJHUMW-GSASKQFNSA-N 0 0 603.744 5.660 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C)c(C)c([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000408987846 1071609153 /nfs/dbraw/zinc/60/91/53/1071609153.db2.gz ZCFXUOCJEVFXOR-LFVJCYFKSA-N 0 0 520.541 6.730 40 10 KKCBRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)N(c5ccccc5)C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988070 1071609243 /nfs/dbraw/zinc/60/92/43/1071609243.db2.gz CKXUOOJWINMNFJ-KAYWLYCHSA-N 0 0 745.864 7.784 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3OCC)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000408738208 1071610400 /nfs/dbraw/zinc/61/04/00/1071610400.db2.gz JCWDGJYCRKOVTI-DMFZDPSVSA-N 0 0 641.790 5.561 40 10 KKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408744702 1071615991 /nfs/dbraw/zinc/61/59/91/1071615991.db2.gz ZLRMZRMNRFVQIS-WOJGMQOQSA-N 0 0 546.642 7.425 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)c1 ZINC000408738090 1071611495 /nfs/dbraw/zinc/61/14/95/1071611495.db2.gz IWGXOCGUDRDRHE-KGENOOAVSA-N 0 0 504.380 6.106 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c1 ZINC000408738132 1071612110 /nfs/dbraw/zinc/61/21/10/1071612110.db2.gz PIQLFPMHGCJRHX-PTGBLXJZSA-N 0 0 540.413 7.357 40 10 KKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C1c1ccccc1 ZINC000408738107 1071612118 /nfs/dbraw/zinc/61/21/18/1071612118.db2.gz OEOBQIDFNSRIKL-CAPFRKAQSA-N 0 0 502.397 8.123 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737974 1071612519 /nfs/dbraw/zinc/61/25/19/1071612519.db2.gz GYFLGVXPNMNPMR-VWGWLNKZSA-N 0 0 623.819 6.652 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408737754 1071612543 /nfs/dbraw/zinc/61/25/43/1071612543.db2.gz GOWUSZPGWDFODG-MOSHPQCFSA-N 0 0 507.409 5.520 40 10 KKCBRN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1 ZINC000408737785 1071613204 /nfs/dbraw/zinc/61/32/04/1071613204.db2.gz GTQHHAUOTYMICA-CJLVFECKSA-N 0 0 530.407 7.901 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1Br ZINC000408987292 1071613460 /nfs/dbraw/zinc/61/34/60/1071613460.db2.gz WADLLZJCNJSFET-DEDYPNTBSA-N 0 0 538.825 6.759 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408987480 1071613472 /nfs/dbraw/zinc/61/34/72/1071613472.db2.gz BEKCWXDSAQYJGB-UHFFFAOYSA-N 0 0 804.375 10.243 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000408987325 1071613968 /nfs/dbraw/zinc/61/39/68/1071613968.db2.gz WJOWOQRHPLPOID-XSFVSMFZSA-N 0 0 539.267 7.390 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408987322 1071614001 /nfs/dbraw/zinc/61/40/01/1071614001.db2.gz OBUKVBMSNVJSCI-FABFSAKGSA-N 0 0 628.581 6.650 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408996806 1071616491 /nfs/dbraw/zinc/61/64/91/1071616491.db2.gz FBZRYSYCXSGULS-VUTHCHCSSA-N 0 0 533.697 7.076 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995714 1071621524 /nfs/dbraw/zinc/62/15/24/1071621524.db2.gz MYJOVXOEQPWXSP-CLCZQPDDSA-N 0 0 525.095 6.462 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408996414 1071617404 /nfs/dbraw/zinc/61/74/04/1071617404.db2.gz DNGAVDCOJXTJNY-CRCYZHLCSA-N 0 0 579.644 5.533 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996685 1071617453 /nfs/dbraw/zinc/61/74/53/1071617453.db2.gz MMEAUUCROSRXCD-SWBDNCPRSA-N 0 0 636.217 7.120 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000408995970 1071621605 /nfs/dbraw/zinc/62/16/05/1071621605.db2.gz CGOQUCAPRDFVGW-UHFFFAOYSA-N 0 0 526.932 5.970 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408743120 1071618994 /nfs/dbraw/zinc/61/89/94/1071618994.db2.gz ZJQLWTODNFSTDM-NDZAJKAJSA-N 0 0 533.697 7.076 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408742991 1071619560 /nfs/dbraw/zinc/61/95/60/1071619560.db2.gz RBJCUCFCQBJWBJ-VCHYOVAHSA-N 0 0 532.217 7.325 40 10 KKCBRN CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1I ZINC000408743239 1071619605 /nfs/dbraw/zinc/61/96/05/1071619605.db2.gz RRDOXQIVTVMAHM-VIZOYTHASA-N 0 0 525.136 5.269 40 10 KKCBRN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408742922 1071620103 /nfs/dbraw/zinc/62/01/03/1071620103.db2.gz QOVORGGOIXDDJT-YBFXNURJSA-N 0 0 501.793 7.606 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408742485 1071621130 /nfs/dbraw/zinc/62/11/30/1071621130.db2.gz PEBZTGVHZHUJFX-MHWRWJLKSA-N 0 0 539.294 6.048 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409006084 1071626662 /nfs/dbraw/zinc/62/66/62/1071626662.db2.gz HOJDWOHOEAOTJJ-UHFFFAOYSA-N 0 0 561.594 5.605 40 10 KKCBRN CC(=O)Oc1c(I)cc(Br)cc1/C=C1/C=C(c2ccc(C)cc2)OC1=O ZINC000408741101 1071627251 /nfs/dbraw/zinc/62/72/51/1071627251.db2.gz GRAYPKYAMZVISX-CHHVJCJISA-N 0 0 525.136 5.269 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000408742155 1071622289 /nfs/dbraw/zinc/62/22/89/1071622289.db2.gz NLFGBZOSGJOHRP-YBFXNURJSA-N 0 0 589.223 6.623 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S ZINC000409007131 1071622694 /nfs/dbraw/zinc/62/26/94/1071622694.db2.gz ODYFCRIXGOYOJW-MFOYZWKCSA-N 0 0 533.296 6.565 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409006700 1071624138 /nfs/dbraw/zinc/62/41/38/1071624138.db2.gz KEXCSSYRVRWHTG-UHFFFAOYSA-N 0 0 681.789 7.764 40 10 KKCBRN COc1ccc(C2=C/C(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C(=O)O2)cc1 ZINC000408741781 1071624550 /nfs/dbraw/zinc/62/45/50/1071624550.db2.gz LAGCSNOBBPOIFY-CXUHLZMHSA-N 0 0 616.320 5.898 40 10 KKCBRN CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1I ZINC000408741240 1071626084 /nfs/dbraw/zinc/62/60/84/1071626084.db2.gz HRMFQPBSWZKXDK-AWNIVKPZSA-N 0 0 590.005 5.723 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408740276 1071631394 /nfs/dbraw/zinc/63/13/94/1071631394.db2.gz JTHNJRHPVPHWDL-QYVLQNAGSA-N 0 0 629.785 9.176 40 10 KKCBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408739934 1071632800 /nfs/dbraw/zinc/63/28/00/1071632800.db2.gz GVMMVVQFLNZQLW-FSJBWODESA-N 0 0 539.442 5.394 40 10 KKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(Br)c2)cc1 ZINC000408756550 1071636599 /nfs/dbraw/zinc/63/65/99/1071636599.db2.gz SQVSCTZSHXJMFG-SRZZPIQSSA-N 0 0 502.195 6.599 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409003236 1071638130 /nfs/dbraw/zinc/63/81/30/1071638130.db2.gz FNYLKASFZPRKMH-OEAKJJBVSA-N 0 0 596.467 5.842 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409002991 1071638563 /nfs/dbraw/zinc/63/85/63/1071638563.db2.gz XRZFXTJLCLGZQV-XNENXQGPSA-N 0 0 609.792 5.914 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000409003104 1071638607 /nfs/dbraw/zinc/63/86/07/1071638607.db2.gz DJDUBVVKGUPQPJ-LPYMAVHISA-N 0 0 582.440 5.335 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409001517 1071645570 /nfs/dbraw/zinc/64/55/70/1071645570.db2.gz IVDABSICDKEKRT-UEKFQANFSA-N 0 0 540.616 5.219 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408755561 1071643886 /nfs/dbraw/zinc/64/38/86/1071643886.db2.gz OMHAXKGNIUIRAE-UHFFFAOYSA-N 0 0 512.034 6.496 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409001367 1071645978 /nfs/dbraw/zinc/64/59/78/1071645978.db2.gz PKSMBAQIBRJRLI-CLCZQPDDSA-N 0 0 559.540 7.115 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408999961 1071651538 /nfs/dbraw/zinc/65/15/38/1071651538.db2.gz WJSSQVHDJOCKMQ-VPBNWZFVSA-N 0 0 575.459 5.583 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408754233 1071652831 /nfs/dbraw/zinc/65/28/31/1071652831.db2.gz FMFNHXOESDIXRC-HXIXLQHISA-N 0 0 646.725 6.074 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408753960 1071653931 /nfs/dbraw/zinc/65/39/31/1071653931.db2.gz CQLDLBHYVDQYHJ-PDKWVMPVSA-N 0 0 589.764 7.393 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000408753993 1071654588 /nfs/dbraw/zinc/65/45/88/1071654588.db2.gz PBSFWOVUXCJJMG-XDHOZWIPSA-N 0 0 553.865 7.169 40 10 KKCBRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408999368 1071655302 /nfs/dbraw/zinc/65/53/02/1071655302.db2.gz KPOCBVLTUWHGAN-IWVFXYMLSA-N 0 0 518.704 6.425 40 10 KKCBRN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408753647 1071656460 /nfs/dbraw/zinc/65/64/60/1071656460.db2.gz KBDALLMTQJACAF-ANSQWYIGSA-N 0 0 514.569 6.650 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000408752846 1071662601 /nfs/dbraw/zinc/66/26/01/1071662601.db2.gz CSEBQXDXEZRRHD-RGVLZGJSSA-N 0 0 551.065 7.353 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1OC ZINC000408751767 1071669005 /nfs/dbraw/zinc/66/90/05/1071669005.db2.gz CDKUVWWRAHFMJO-OQKWZONESA-N 0 0 571.054 7.888 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408752510 1071664545 /nfs/dbraw/zinc/66/45/45/1071664545.db2.gz BBWKVHDFGZFTPQ-KEBDBYFISA-N 0 0 551.065 7.353 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)N(CC)C(=S)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000409016983 1071665997 /nfs/dbraw/zinc/66/59/97/1071665997.db2.gz URCYKFHXMSOFHE-XQNSMLJCSA-N 0 0 596.174 6.428 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409016349 1071668289 /nfs/dbraw/zinc/66/82/89/1071668289.db2.gz RMUXCUIWSHEELT-GSASKQFNSA-N 0 0 620.750 5.548 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409016347 1071668308 /nfs/dbraw/zinc/66/83/08/1071668308.db2.gz TXVGZACUNREWKM-QVWJKXSPSA-N 0 0 583.504 6.424 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 ZINC000408751664 1071669566 /nfs/dbraw/zinc/66/95/66/1071669566.db2.gz BGIJTRHRYKFPKW-DEDYPNTBSA-N 0 0 500.165 6.185 40 10 KKCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409015762 1071670435 /nfs/dbraw/zinc/67/04/35/1071670435.db2.gz SCNHZSYTZZJMNE-KWXFCVSUSA-N 0 0 522.598 5.800 40 10 KKCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409015398 1071671368 /nfs/dbraw/zinc/67/13/68/1071671368.db2.gz RXGHYSNZDNPMLM-WVOIHLJESA-N 0 0 625.143 5.484 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409014759 1071674859 /nfs/dbraw/zinc/67/48/59/1071674859.db2.gz JBSXSESOFKBXAO-HZHHUVPKSA-N 0 0 628.795 5.069 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409014375 1071675632 /nfs/dbraw/zinc/67/56/32/1071675632.db2.gz PDDIKZXAAPJECG-NDZAJKAJSA-N 0 0 617.123 6.510 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409013262 1071680805 /nfs/dbraw/zinc/68/08/05/1071680805.db2.gz TZBVUAZEYCNILP-HFTWOUSFSA-N 0 0 622.747 6.312 40 10 KKCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013729 1071679354 /nfs/dbraw/zinc/67/93/54/1071679354.db2.gz NUUPHDHTBHNLAL-ZVHZXABRSA-N 0 0 575.470 5.280 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409013206 1071680395 /nfs/dbraw/zinc/68/03/95/1071680395.db2.gz MFORWCBYCGMSNV-UZWMFBFFSA-N 0 0 695.621 6.901 40 10 KKCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409013171 1071681473 /nfs/dbraw/zinc/68/14/73/1071681473.db2.gz LWRNMRYEZLOOTN-KXWHUPIZSA-N 0 0 504.608 5.661 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409012692 1071682996 /nfs/dbraw/zinc/68/29/96/1071682996.db2.gz LDWUUZRZDXFJMR-QNKGDIEWSA-N 0 0 624.759 6.980 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000409012382 1071684166 /nfs/dbraw/zinc/68/41/66/1071684166.db2.gz JRMRXVSXLDLGRV-VUTHCHCSSA-N 0 0 603.096 6.201 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000409010308 1071692135 /nfs/dbraw/zinc/69/21/35/1071692135.db2.gz BYDGAQZXPWDYCO-UQRQXUALSA-N 0 0 602.090 7.490 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409009227 1071696665 /nfs/dbraw/zinc/69/66/65/1071696665.db2.gz CEDHBRXJMMKFOR-JLPGSUDCSA-N 0 0 522.567 7.114 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409008950 1071698347 /nfs/dbraw/zinc/69/83/47/1071698347.db2.gz APWIEXIMHLMSHK-STBIYBPSSA-N 0 0 611.160 6.351 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Oc1nc(Cl)ncc1F ZINC000409008569 1071698861 /nfs/dbraw/zinc/69/88/61/1071698861.db2.gz YADNNDNLXUVJRW-UHFFFAOYSA-N 0 0 560.994 5.818 40 10 KKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1cccc(Br)c1 ZINC000408759461 1071700451 /nfs/dbraw/zinc/70/04/51/1071700451.db2.gz FJQCTHFUTCBBKF-UDWIEESQSA-N 0 0 527.172 5.954 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008301 1071700479 /nfs/dbraw/zinc/70/04/79/1071700479.db2.gz VLHXTYIPTFQELZ-FDALDRLYSA-N 0 0 725.911 8.546 40 10 KKCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000408758224 1071706895 /nfs/dbraw/zinc/70/68/95/1071706895.db2.gz WZFKIGOSIRRMJB-VCHYOVAHSA-N 0 0 504.761 6.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409024854 1071710866 /nfs/dbraw/zinc/71/08/66/1071710866.db2.gz IFSIWXQOQCWPFQ-ZDLGFXPLSA-N 0 0 601.260 5.138 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408767233 1071715420 /nfs/dbraw/zinc/71/54/20/1071715420.db2.gz KILUJIQUINJQMK-UHFFFAOYSA-N 0 0 646.541 8.019 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)sc2=N1 ZINC000409024405 1071712176 /nfs/dbraw/zinc/71/21/76/1071712176.db2.gz RYMDJTNAFXAABU-CXABMRDKSA-N 0 0 598.769 5.061 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408757521 1071712607 /nfs/dbraw/zinc/71/26/07/1071712607.db2.gz ZCBAJWAMZZFWSK-DEDYPNTBSA-N 0 0 523.839 7.160 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023631 1071714530 /nfs/dbraw/zinc/71/45/30/1071714530.db2.gz ZWZHCYPQOXMWSW-JLHDDXNDSA-N 0 0 622.772 5.438 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=S ZINC000409022858 1071716797 /nfs/dbraw/zinc/71/67/97/1071716797.db2.gz VANMVTAWUSWGRQ-SXBRIOAWSA-N 0 0 646.610 8.528 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000409022793 1071717674 /nfs/dbraw/zinc/71/76/74/1071717674.db2.gz SVPFRSFJUZWZOW-JJIBRWJFSA-N 0 0 514.050 6.297 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021678 1071721351 /nfs/dbraw/zinc/72/13/51/1071721351.db2.gz SVWBZIMYOHQWJE-RAWKODRKSA-N 0 0 569.727 5.303 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(F)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408766742 1071719016 /nfs/dbraw/zinc/71/90/16/1071719016.db2.gz DPNFPQGQXLXDFM-XZYZCHRKSA-N 0 0 626.153 6.536 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408766522 1071719492 /nfs/dbraw/zinc/71/94/92/1071719492.db2.gz COSJNPDMRDAVKP-IVQFASICSA-N 0 0 582.556 7.033 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409021684 1071721394 /nfs/dbraw/zinc/72/13/94/1071721394.db2.gz TXAWHMLNLCBYQF-HRIDGTDGSA-N 0 0 615.777 5.023 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409021366 1071724011 /nfs/dbraw/zinc/72/40/11/1071724011.db2.gz DKUDRBVGRLSGRD-BXMULHQWSA-N 0 0 692.632 5.460 40 10 KKCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020830 1071724859 /nfs/dbraw/zinc/72/48/59/1071724859.db2.gz ULQKMLIEONVUJE-LPYMAVHISA-N 0 0 575.470 5.246 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409020651 1071725262 /nfs/dbraw/zinc/72/52/62/1071725262.db2.gz RPOFRXGHJFKJAJ-OVVQPSECSA-N 0 0 528.678 5.096 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409020700 1071725601 /nfs/dbraw/zinc/72/56/01/1071725601.db2.gz SFDDQPZUASXLAH-UZWMFBFFSA-N 0 0 626.731 6.173 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409019269 1071730464 /nfs/dbraw/zinc/73/04/64/1071730464.db2.gz QIGNLCSUKBQQPF-MJASDKGPSA-N 0 0 649.769 5.463 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409019298 1071730521 /nfs/dbraw/zinc/73/05/21/1071730521.db2.gz QOUFEBOIXZOIBU-KGENOOAVSA-N 0 0 556.913 6.464 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409018609 1071731751 /nfs/dbraw/zinc/73/17/51/1071731751.db2.gz NHJDNOSTNYVXQW-AOFXREQWSA-N 0 0 616.743 5.376 40 10 KKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1 ZINC000408761813 1071738077 /nfs/dbraw/zinc/73/80/77/1071738077.db2.gz BRDYPCNIBKYZMZ-CPNJWEJPSA-N 0 0 528.258 7.805 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408762259 1071735932 /nfs/dbraw/zinc/73/59/32/1071735932.db2.gz NVYOYDUDGYIOJH-CBZJRHMXSA-N 0 0 695.841 7.027 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409017399 1071736483 /nfs/dbraw/zinc/73/64/83/1071736483.db2.gz WIMHOQJPVKTTKV-MTDXEUNCSA-N 0 0 617.152 7.371 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2sc3ccccc3c2Cl)c1 ZINC000408762783 1071735185 /nfs/dbraw/zinc/73/51/85/1071735185.db2.gz MCQBAAWKFWIPIK-XSFVSMFZSA-N 0 0 507.840 7.460 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1Cl ZINC000409036922 1071739445 /nfs/dbraw/zinc/73/94/45/1071739445.db2.gz RXJNVHLFEJEJMH-GDNBJRDFSA-N 0 0 522.857 6.429 40 10 KKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(I)cc3C)C2=O)cc1 ZINC000408761383 1071739837 /nfs/dbraw/zinc/73/98/37/1071739837.db2.gz JGYAQDUFXLMAMG-RGEXLXHISA-N 0 0 527.789 6.733 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409036617 1071741103 /nfs/dbraw/zinc/74/11/03/1071741103.db2.gz LWHQNRUINJKCBB-VGOFMYFVSA-N 0 0 557.302 7.083 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408770554 1071741672 /nfs/dbraw/zinc/74/16/72/1071741672.db2.gz YZHGZPGAUNQBEO-OCDQFKQQSA-N 0 0 644.997 7.281 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408776937 1071747572 /nfs/dbraw/zinc/74/75/72/1071747572.db2.gz SUAXOAKXALUHCE-KQWNVCNZSA-N 0 0 516.981 5.543 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408777197 1071745615 /nfs/dbraw/zinc/74/56/15/1071745615.db2.gz WFWROANHKPTUFP-UQQQWYQISA-N 0 0 535.040 5.680 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2)cc1 ZINC000409035601 1071749764 /nfs/dbraw/zinc/74/97/64/1071749764.db2.gz JMRLSZYYJYROPT-UNOMPAQXSA-N 0 0 530.449 5.944 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3)sc2=N1 ZINC000409035671 1071750162 /nfs/dbraw/zinc/75/01/62/1071750162.db2.gz PXDNHAQLKUINCU-CSJROMOCSA-N 0 0 612.590 5.196 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408776348 1071750463 /nfs/dbraw/zinc/75/04/63/1071750463.db2.gz YZVIKRPZAYVHSN-KQWNVCNZSA-N 0 0 516.981 5.543 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)cc(I)c1OCc1ccccc1 ZINC000409034769 1071757998 /nfs/dbraw/zinc/75/79/98/1071757998.db2.gz OJKSPNPAANDSCK-NVNXTCNLSA-N 0 0 663.178 7.134 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408774306 1071762255 /nfs/dbraw/zinc/76/22/55/1071762255.db2.gz ZBBOXLWABJBJPM-UHFFFAOYSA-N 0 0 539.660 7.201 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000409033410 1071770035 /nfs/dbraw/zinc/77/00/35/1071770035.db2.gz LGIUHFZCJMCMBZ-FPYGCLRLSA-N 0 0 620.053 5.103 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)c1 ZINC000408772922 1071770568 /nfs/dbraw/zinc/77/05/68/1071770568.db2.gz NGNCOKQGZWBGPI-ITNAUSPISA-N 0 0 574.706 5.290 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000409033014 1071774897 /nfs/dbraw/zinc/77/48/97/1071774897.db2.gz DDOQFYRZOJHARR-NSIKDUERSA-N 0 0 616.724 7.091 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032795 1071775282 /nfs/dbraw/zinc/77/52/82/1071775282.db2.gz DKXICYRQGGEORJ-XJNHXSSVSA-N 0 0 738.734 7.326 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000409032484 1071778614 /nfs/dbraw/zinc/77/86/14/1071778614.db2.gz CFOJOWSOQSRVNH-LZYBPNLTSA-N 0 0 707.231 7.533 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n32)cc1 ZINC000409032534 1071779070 /nfs/dbraw/zinc/77/90/70/1071779070.db2.gz JEYOOSXWETUQDF-IPAKXIGBSA-N 0 0 608.135 5.786 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)c(OCc2cccc(Cl)c2)c(I)c1 ZINC000409032410 1071780687 /nfs/dbraw/zinc/78/06/87/1071780687.db2.gz JHAHBJVCILZZLF-NSIKDUERSA-N 0 0 744.623 7.630 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OC(C)C ZINC000409032242 1071781606 /nfs/dbraw/zinc/78/16/06/1071781606.db2.gz MABGJRROLVXABT-WZUFQYTHSA-N 0 0 519.264 5.747 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(I)cc1 ZINC000409031626 1071786703 /nfs/dbraw/zinc/78/67/03/1071786703.db2.gz JUHCYCQMYJBFAH-LZYBPNLTSA-N 0 0 754.231 7.375 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(Br)cc1 ZINC000409031312 1071788604 /nfs/dbraw/zinc/78/86/04/1071788604.db2.gz AMYBIMGMTSFPPA-SXGWCWSVSA-N 0 0 524.287 6.358 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)cc1Cl ZINC000409031362 1071789148 /nfs/dbraw/zinc/78/91/48/1071789148.db2.gz AEXYCVSGJLQEPM-NVNXTCNLSA-N 0 0 557.302 7.083 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)sc2=N1 ZINC000409030772 1071794195 /nfs/dbraw/zinc/79/41/95/1071794195.db2.gz HTVNLORMHOHRCH-SPLCHINYSA-N 0 0 662.650 6.374 40 10 KKCBRN CCCCOc1c(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409030463 1071797273 /nfs/dbraw/zinc/79/72/73/1071797273.db2.gz DKHDOEQEKGXPDN-JYRVWZFOSA-N 0 0 594.318 6.370 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000409030280 1071800821 /nfs/dbraw/zinc/80/08/21/1071800821.db2.gz CUDYTHGYRKYDFS-OVCLIPMQSA-N 0 0 567.308 6.538 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408768493 1071801518 /nfs/dbraw/zinc/80/15/18/1071801518.db2.gz GKVYDODPJVGFLX-QQXSKIMKSA-N 0 0 514.553 5.337 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409029936 1071803432 /nfs/dbraw/zinc/80/34/32/1071803432.db2.gz DFAYJAKPVFFELW-BPOMCQNBSA-N 0 0 666.243 7.315 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408767378 1071809191 /nfs/dbraw/zinc/80/91/91/1071809191.db2.gz WIIVWQPAPFFNRG-KGENOOAVSA-N 0 0 540.211 5.833 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)S2)cc1 ZINC000408782177 1071813274 /nfs/dbraw/zinc/81/32/74/1071813274.db2.gz WLUOUEZDGDILOQ-RWTNITNYSA-N 0 0 529.447 5.861 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccccc1 ZINC000408781781 1071816204 /nfs/dbraw/zinc/81/62/04/1071816204.db2.gz DOOOPEUVIUYYTB-PQRKSKNISA-N 0 0 519.695 5.788 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409037968 1071818733 /nfs/dbraw/zinc/81/87/33/1071818733.db2.gz OBVQASCJDCVXPM-WOJGMQOQSA-N 0 0 540.448 6.408 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409037676 1071821605 /nfs/dbraw/zinc/82/16/05/1071821605.db2.gz UGUIHUZXDBBSJB-CXUHLZMHSA-N 0 0 533.409 5.684 40 10 KKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408779075 1071832082 /nfs/dbraw/zinc/83/20/82/1071832082.db2.gz QIURSBNIYFLCIT-OGLMXYFKSA-N 0 0 516.641 7.842 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)sc2=N1 ZINC000409046466 1071832841 /nfs/dbraw/zinc/83/28/41/1071832841.db2.gz KHARRNVJFWQNNR-WWWKDLBZSA-N 0 0 547.680 5.359 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408777893 1071840698 /nfs/dbraw/zinc/84/06/98/1071840698.db2.gz LFOBYIJDYDHQAQ-JVDNRXPZSA-N 0 0 509.433 6.835 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408777463 1071843491 /nfs/dbraw/zinc/84/34/91/1071843491.db2.gz ZYDZRPOXRPZFRH-WGOQTCKBSA-N 0 0 537.532 6.509 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409044975 1071844800 /nfs/dbraw/zinc/84/48/00/1071844800.db2.gz DZXNGUURTJKQMD-UHFFFAOYSA-N 0 0 696.373 6.871 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409044873 1071846541 /nfs/dbraw/zinc/84/65/41/1071846541.db2.gz DVCBVEKNNWKQSE-CVKSISIWSA-N 0 0 741.230 7.799 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409044729 1071848021 /nfs/dbraw/zinc/84/80/21/1071848021.db2.gz HNAPHXBZXGSLLR-VGOFMYFVSA-N 0 0 527.276 7.074 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408785812 1071855191 /nfs/dbraw/zinc/85/51/91/1071855191.db2.gz ZPDZNWJAOGKGGK-BEXDPUPVSA-N 0 0 565.453 6.127 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408784713 1071860575 /nfs/dbraw/zinc/86/05/75/1071860575.db2.gz SAQIGSOFIFXFLR-MRWVFDTMSA-N 0 0 576.653 5.774 40 10 KKCBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c1C)CCCC2 ZINC000409043216 1071861824 /nfs/dbraw/zinc/86/18/24/1071861824.db2.gz YFZIFAUADMTPDH-GZTJUZNOSA-N 0 0 577.575 6.713 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000409042907 1071864337 /nfs/dbraw/zinc/86/43/37/1071864337.db2.gz LLIILFYOGGHSQN-VGOFMYFVSA-N 0 0 663.178 7.134 40 10 KKCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)S2)cc1 ZINC000408783613 1071869028 /nfs/dbraw/zinc/86/90/28/1071869028.db2.gz NRULOKRQLDKNDA-MGSPXPDISA-N 0 0 529.447 5.861 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1cccc2ccccc21 ZINC000409042357 1071871510 /nfs/dbraw/zinc/87/15/10/1071871510.db2.gz KIIHRBROWHMEEB-JAIQZWGSSA-N 0 0 617.368 7.692 40 10 KKCBRN CC[C@@H](C)Oc1ccc(Br)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409042080 1071875275 /nfs/dbraw/zinc/87/52/75/1071875275.db2.gz XJZADTUKCGCYGD-PGEKAQRJSA-N 0 0 503.265 6.128 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409041779 1071877600 /nfs/dbraw/zinc/87/76/00/1071877600.db2.gz JSJONUCZUNTFBF-OVCLIPMQSA-N 0 0 527.276 7.074 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408797145 1071876971 /nfs/dbraw/zinc/87/69/71/1071876971.db2.gz BJROIMZKXGEIFU-YRHCGCNMSA-N 0 0 520.722 8.301 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408783036 1071873046 /nfs/dbraw/zinc/87/30/46/1071873046.db2.gz JMFFNXNIRLQJFA-CPYLFOLBSA-N 0 0 510.590 5.128 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409041994 1071874000 /nfs/dbraw/zinc/87/40/00/1071874000.db2.gz WSMHXSLTEJSTQV-AUWJEWJLSA-N 0 0 683.198 7.687 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000409040916 1071886796 /nfs/dbraw/zinc/88/67/96/1071886796.db2.gz IRGFBFOMZWUDRJ-MIUGUJGPSA-N 0 0 652.586 5.896 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409039348 1071898804 /nfs/dbraw/zinc/89/88/04/1071898804.db2.gz GJBWOUVNEIFCDF-LZYBPNLTSA-N 0 0 581.335 6.847 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408805980 1071905175 /nfs/dbraw/zinc/90/51/75/1071905175.db2.gz DJGVUZMGAAADFZ-AHVBHIFMSA-N 0 0 549.558 7.911 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409039220 1071900314 /nfs/dbraw/zinc/90/03/14/1071900314.db2.gz BYYJXTHMXSWDOC-UHFFFAOYSA-N 0 0 561.396 7.295 40 10 KKCBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)sc2=N1 ZINC000409038917 1071903180 /nfs/dbraw/zinc/90/31/80/1071903180.db2.gz PWGIYZKPWLKUEE-NBQDTTAVSA-N 0 0 650.628 6.530 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409048867 1071913971 /nfs/dbraw/zinc/91/39/71/1071913971.db2.gz UIIBXXVOFGUDNF-RGVLZGJSSA-N 0 0 612.864 5.494 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409038413 1071909438 /nfs/dbraw/zinc/90/94/38/1071909438.db2.gz OWEQNBPPGAYFPH-PDGQHHTCSA-N 0 0 526.436 7.060 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(C)c1 ZINC000409038456 1071909446 /nfs/dbraw/zinc/90/94/46/1071909446.db2.gz OYUXZEQMGGKWDG-LZYBPNLTSA-N 0 0 628.335 6.689 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000409050674 1071910680 /nfs/dbraw/zinc/91/06/80/1071910680.db2.gz YLTSWWXVFWYANQ-VXLYETTFSA-N 0 0 617.368 7.692 40 10 KKCBRN Cc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408802157 1071912523 /nfs/dbraw/zinc/91/25/23/1071912523.db2.gz XFCIHAUXZUUFBW-SVPNNHLASA-N 0 0 505.107 7.802 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409048872 1071914099 /nfs/dbraw/zinc/91/40/99/1071914099.db2.gz UJFKOAAIFFFHOZ-LICLKQGHSA-N 0 0 515.780 6.201 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409057195 1071917622 /nfs/dbraw/zinc/91/76/22/1071917622.db2.gz JUYPWCKBBQIQNW-IMRQLAEWSA-N 0 0 528.605 5.547 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409057255 1071918323 /nfs/dbraw/zinc/91/83/23/1071918323.db2.gz VHHCGQRKXLWEDT-ASZNLBCTSA-N 0 0 624.601 5.258 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409056325 1071922063 /nfs/dbraw/zinc/92/20/63/1071922063.db2.gz CRHHIUYJCCRPAK-AQHIEDMUSA-N 0 0 515.824 6.932 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409054055 1071936590 /nfs/dbraw/zinc/93/65/90/1071936590.db2.gz QQJCUAXPHYCTGV-QRQIAZFYSA-N 0 0 651.591 8.132 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409054076 1071936684 /nfs/dbraw/zinc/93/66/84/1071936684.db2.gz QXMHYWNEMTXYJQ-QRVIBDJDSA-N 0 0 530.498 7.291 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409053886 1071937110 /nfs/dbraw/zinc/93/71/10/1071937110.db2.gz RQHIDBRZMKQLBQ-QRVIBDJDSA-N 0 0 514.043 6.777 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)cc1 ZINC000409052771 1071943350 /nfs/dbraw/zinc/94/33/50/1071943350.db2.gz MDSSGFDSIHQVBP-QRVIBDJDSA-N 0 0 544.923 7.391 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409051260 1071952994 /nfs/dbraw/zinc/95/29/94/1071952994.db2.gz JUSGZGJSHFHVBI-MSXFZWOLSA-N 0 0 558.494 6.886 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409049793 1071962236 /nfs/dbraw/zinc/96/22/36/1071962236.db2.gz XJTJTMCZSMSNIM-VCHYOVAHSA-N 0 0 635.652 6.019 40 10 KKCBRN CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409048692 1071968257 /nfs/dbraw/zinc/96/82/57/1071968257.db2.gz UONYURJVRXEZRI-VIZOYTHASA-N 0 0 556.638 5.566 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048461 1071971564 /nfs/dbraw/zinc/97/15/64/1071971564.db2.gz ORHHVYSJYASYGJ-ZJKBLPEWSA-N 0 0 726.295 7.234 40 10 KKCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409048257 1071972035 /nfs/dbraw/zinc/97/20/35/1071972035.db2.gz VXFMBCIBCYHXHS-PXNMLYILSA-N 0 0 612.305 6.447 40 10 KKCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000409047912 1071976753 /nfs/dbraw/zinc/97/67/53/1071976753.db2.gz NPYPLLSBXUKGBK-HRIDGTDGSA-N 0 0 573.690 5.132 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409059057 1071982098 /nfs/dbraw/zinc/98/20/98/1071982098.db2.gz QRPGIEQMNPPPSA-PDRSFVMNSA-N 0 0 607.776 5.713 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409058920 1071984030 /nfs/dbraw/zinc/98/40/30/1071984030.db2.gz ZQMFSEVVBVIXJU-MYKKPKGFSA-N 0 0 509.433 6.895 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409057923 1071989671 /nfs/dbraw/zinc/98/96/71/1071989671.db2.gz MXVVPFZGHVGUHL-KSEXSDGBSA-N 0 0 539.415 6.065 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000409057930 1071990146 /nfs/dbraw/zinc/99/01/46/1071990146.db2.gz MYRYLKAWVDJUNL-NHDPSOOVSA-N 0 0 529.851 7.240 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409057810 1071990757 /nfs/dbraw/zinc/99/07/57/1071990757.db2.gz MKBTZNCWAHKQDZ-CBPRFPNYSA-N 0 0 614.167 5.588 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409057473 1071992497 /nfs/dbraw/zinc/99/24/97/1071992497.db2.gz QNTBAFBHEDZLFW-ZMVORIFESA-N 0 0 570.114 5.189 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409057351 1071993489 /nfs/dbraw/zinc/99/34/89/1071993489.db2.gz KWTJABJLCJQMRH-UUYOSTAYSA-N 0 0 525.432 6.595 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409066995 1071999150 /nfs/dbraw/zinc/99/91/50/1071999150.db2.gz IPFKFEZOCYHYNI-ZHGFHMGHSA-N 0 0 644.591 5.307 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409065922 1072005148 /nfs/dbraw/zinc/00/51/48/1072005148.db2.gz GJFKWYOGALKMLO-KUSDHMTMSA-N 0 0 658.618 5.615 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409063237 1072022478 /nfs/dbraw/zinc/02/24/78/1072022478.db2.gz JGGBNRQUCBJILH-ITYLOYPMSA-N 0 0 540.088 7.113 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409062480 1072024260 /nfs/dbraw/zinc/02/42/60/1072024260.db2.gz VMKPEVGURZWQSK-QFFYTCKUSA-N 0 0 569.130 5.518 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409062479 1072024442 /nfs/dbraw/zinc/02/44/42/1072024442.db2.gz VMKPEVGURZWQSK-PUUMDJTNSA-N 0 0 569.130 5.518 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3ccc(N4CCCC4)c(C)c3)sc2=N1 ZINC000409062361 1072025263 /nfs/dbraw/zinc/02/52/63/1072025263.db2.gz SMNIHUXHMWNYCC-XQNWCSQWSA-N 0 0 624.601 5.258 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3)sc2=N1 ZINC000409061426 1072028972 /nfs/dbraw/zinc/02/89/72/1072028972.db2.gz ZRNNZWQOVOLZJJ-ZJOBTTRRSA-N 0 0 581.738 5.341 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409062134 1072025527 /nfs/dbraw/zinc/02/55/27/1072025527.db2.gz OGPIUTSPFNFVCU-ITYLOYPMSA-N 0 0 514.622 5.335 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409061896 1072026980 /nfs/dbraw/zinc/02/69/80/1072026980.db2.gz JTUPLNMZUVRWGL-MAKYVFJGSA-N 0 0 593.749 5.243 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000409060705 1072032747 /nfs/dbraw/zinc/03/27/47/1072032747.db2.gz UEQVJPXUBIIPPX-MYYYXRDXSA-N 0 0 500.595 5.605 40 10 KKCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000409060378 1072034366 /nfs/dbraw/zinc/03/43/66/1072034366.db2.gz RILOGAOUIGNKEZ-UHFFFAOYSA-N 0 0 582.937 5.195 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409076297 1072051677 /nfs/dbraw/zinc/05/16/77/1072051677.db2.gz AJVMSRLRQQAJEA-UHFFFAOYSA-N 0 0 619.373 7.186 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C[C@@H]1CCCO1 ZINC000409076245 1072054348 /nfs/dbraw/zinc/05/43/48/1072054348.db2.gz AASMKALXWLLCFQ-WMEYIKMASA-N 0 0 559.334 6.715 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409075648 1072059048 /nfs/dbraw/zinc/05/90/48/1072059048.db2.gz ZMYITKSHNGPGKS-UHFFFAOYSA-N 0 0 627.889 6.998 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000409075184 1072063071 /nfs/dbraw/zinc/06/30/71/1072063071.db2.gz XDOGCIPYVAFYLG-UHFFFAOYSA-N 0 0 534.568 6.487 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409075220 1072063489 /nfs/dbraw/zinc/06/34/89/1072063489.db2.gz PWKYMDZXDDJIMI-UHFFFAOYSA-N 0 0 682.346 6.563 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409074079 1072071692 /nfs/dbraw/zinc/07/16/92/1072071692.db2.gz RTOQKTQQXFECFD-UHFFFAOYSA-N 0 0 716.791 7.216 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409073773 1072073804 /nfs/dbraw/zinc/07/38/04/1072073804.db2.gz SYUGRXVCPPVFQX-MYYYXRDXSA-N 0 0 519.041 6.640 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073478 1072076106 /nfs/dbraw/zinc/07/61/06/1072076106.db2.gz ZEQGNOKNTCLTEY-UHFFFAOYSA-N 0 0 623.470 6.353 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409073118 1072077654 /nfs/dbraw/zinc/07/76/54/1072077654.db2.gz OZGNVGFZPOLGJD-UHFFFAOYSA-N 0 0 647.503 6.199 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072547 1072081815 /nfs/dbraw/zinc/08/18/15/1072081815.db2.gz CQAYTZUIGVVWEN-FYJGNVAPSA-N 0 0 531.417 5.966 40 10 KKCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409071432 1072089911 /nfs/dbraw/zinc/08/99/11/1072089911.db2.gz JYEWLZAHCDDFEK-SDCZFJSOSA-N 0 0 508.571 5.410 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409070988 1072092861 /nfs/dbraw/zinc/09/28/61/1072092861.db2.gz NWMUJHFHFAYPRY-CVNAYVFFSA-N 0 0 591.777 5.968 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409069529 1072103111 /nfs/dbraw/zinc/10/31/11/1072103111.db2.gz JLENANJZINPEOZ-DEDYPNTBSA-N 0 0 531.815 5.676 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080607 1072122354 /nfs/dbraw/zinc/12/23/54/1072122354.db2.gz ITGARXNMJKYLFY-FQKMCRJQSA-N 0 0 640.987 5.630 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409080737 1072120577 /nfs/dbraw/zinc/12/05/77/1072120577.db2.gz MLYHFHIMXNBIDE-UQQQWYQISA-N 0 0 593.488 6.994 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409080308 1072125160 /nfs/dbraw/zinc/12/51/60/1072125160.db2.gz MVTUGOARGHYOGK-UZQMFHLOSA-N 0 0 599.487 5.788 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409079218 1072135863 /nfs/dbraw/zinc/13/58/63/1072135863.db2.gz IXOABMMAKIFQLS-ZWTBYVTRSA-N 0 0 675.432 6.284 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409079117 1072138218 /nfs/dbraw/zinc/13/82/18/1072138218.db2.gz JXYDEZNSVNYVHI-CEUNXORHSA-N 0 0 545.038 7.915 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409078256 1072147319 /nfs/dbraw/zinc/14/73/19/1072147319.db2.gz IEJUSKFEDGXJSU-XYGWBWBKSA-N 0 0 667.195 8.388 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409078139 1072149162 /nfs/dbraw/zinc/14/91/62/1072149162.db2.gz GSQCKMWBLBQDLU-FQKMCRJQSA-N 0 0 685.438 5.739 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409077810 1072151951 /nfs/dbraw/zinc/15/19/51/1072151951.db2.gz GVZCPKXLZOMTDY-CEUNXORHSA-N 0 0 638.359 8.778 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409087210 1072159157 /nfs/dbraw/zinc/15/91/57/1072159157.db2.gz HEEYHLDKEDSJHZ-IWIPYMOSSA-N 0 0 578.293 8.169 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409086535 1072164587 /nfs/dbraw/zinc/16/45/87/1072164587.db2.gz QVTAFUJEDSTQRZ-CVHFWEDTSA-N 0 0 595.524 5.958 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c1 ZINC000409085679 1072174783 /nfs/dbraw/zinc/17/47/83/1072174783.db2.gz FJTRDUFLQBGCEW-JVWAILMASA-N 0 0 558.631 7.202 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409085232 1072179973 /nfs/dbraw/zinc/17/99/73/1072179973.db2.gz YQOZHLUXGUMPKV-HDOAHBKWSA-N 0 0 524.889 6.062 40 10 KKCBRN COc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409085321 1072181106 /nfs/dbraw/zinc/18/11/06/1072181106.db2.gz OEMOYDFXDICSSA-TURZUDJPSA-N 0 0 593.661 6.548 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000409084065 1072193398 /nfs/dbraw/zinc/19/33/98/1072193398.db2.gz WTYJALYGZIIWPS-GJKZIJEQSA-N 0 0 574.706 5.290 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084103 1072193915 /nfs/dbraw/zinc/19/39/15/1072193915.db2.gz WNBQZYDRYYINQS-UHFFFAOYSA-N 0 0 720.432 6.882 40 10 KKCBRN CCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409083950 1072195347 /nfs/dbraw/zinc/19/53/47/1072195347.db2.gz LXQHIYBZENSGOP-ZHZULCJRSA-N 0 0 524.358 5.533 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 ZINC000409083265 1072203887 /nfs/dbraw/zinc/20/38/87/1072203887.db2.gz NWYYNTOQSYXFFG-BCUAHEQISA-N 0 0 508.434 5.547 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082498 1072211925 /nfs/dbraw/zinc/21/19/25/1072211925.db2.gz SPZLFZNCNCOFPG-XDHOZWIPSA-N 0 0 501.848 6.865 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409082266 1072212341 /nfs/dbraw/zinc/21/23/41/1072212341.db2.gz IRJFPEYBLDOPGL-OFWBYEQRSA-N 0 0 559.463 8.016 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409081913 1072218404 /nfs/dbraw/zinc/21/84/04/1072218404.db2.gz IHAGGYRILGXZIG-LELXDKESSA-N 0 0 599.366 6.179 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409081767 1072220383 /nfs/dbraw/zinc/22/03/83/1072220383.db2.gz QOECIHPNBIGDRH-OLRBPVQESA-N 0 0 548.524 6.115 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081806 1072220834 /nfs/dbraw/zinc/22/08/34/1072220834.db2.gz QIQRIBYHIRECSL-XIHDXPBISA-N 0 0 695.592 5.284 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409081654 1072222116 /nfs/dbraw/zinc/22/21/16/1072222116.db2.gz KPJVROWCNPSLIY-BCUAHEQISA-N 0 0 554.915 6.070 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409097073 1072230592 /nfs/dbraw/zinc/23/05/92/1072230592.db2.gz MKMBPWWVEGRVFC-RGFRMHDHSA-N 0 0 604.132 5.073 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096649 1072232784 /nfs/dbraw/zinc/23/27/84/1072232784.db2.gz LRKRVHRMPTZGCS-KEBLUXQBSA-N 0 0 633.612 5.094 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C2=O)cc1 ZINC000409096691 1072233319 /nfs/dbraw/zinc/23/33/19/1072233319.db2.gz KJDYWWVUKZJKSQ-UXHLAJHPSA-N 0 0 599.684 6.886 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c1 ZINC000409096080 1072236267 /nfs/dbraw/zinc/23/62/67/1072236267.db2.gz CIGASLVHUZKAAY-LFVJCYFKSA-N 0 0 544.589 6.183 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409326384 1072247179 /nfs/dbraw/zinc/24/71/79/1072247179.db2.gz BEHBOHMLAJGTRB-ZVHZXABRSA-N 0 0 538.672 6.700 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409326375 1072247250 /nfs/dbraw/zinc/24/72/50/1072247250.db2.gz BBRCDSMMOSPDRD-ONUIUJJFSA-N 0 0 504.677 6.526 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409327134 1072241401 /nfs/dbraw/zinc/24/14/01/1072241401.db2.gz IHIQRNZJKKXQKV-XKZIYDEJSA-N 0 0 526.617 5.385 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409095205 1072241578 /nfs/dbraw/zinc/24/15/78/1072241578.db2.gz AAGDRZNKLYNCGZ-WPWMEQJKSA-N 0 0 575.086 7.716 40 10 KKCBRN CCOc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cccc1OC ZINC000409095104 1072242453 /nfs/dbraw/zinc/24/24/53/1072242453.db2.gz BLOYBWYCMSPRJY-PXLXIMEGSA-N 0 0 508.596 5.891 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409326900 1072244047 /nfs/dbraw/zinc/24/40/47/1072244047.db2.gz GFOBFHMEPYWSJN-HZHRSRAPSA-N 0 0 555.519 6.509 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409326666 1072244580 /nfs/dbraw/zinc/24/45/80/1072244580.db2.gz DCMZCKNYYNFGTL-ZVHZXABRSA-N 0 0 509.483 7.711 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409326547 1072246274 /nfs/dbraw/zinc/24/62/74/1072246274.db2.gz CAFAVOHHPBWNPC-UCQKPKSFSA-N 0 0 555.659 5.143 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3c(OC)ccc5ccccc53)C(C(=O)N(CC)CC)=C(C)N=4)c2C)cc1 ZINC000409094169 1072248255 /nfs/dbraw/zinc/24/82/55/1072248255.db2.gz CPVULWNPYBVFBM-BUELQQIUSA-N 0 0 676.839 5.850 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409093546 1072251259 /nfs/dbraw/zinc/25/12/59/1072251259.db2.gz AEZMMKSRUSYWBC-OCSSWDANSA-N 0 0 646.596 9.102 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093046 1072258027 /nfs/dbraw/zinc/25/80/27/1072258027.db2.gz YVRDINAADOGWLO-XIHDXPBISA-N 0 0 729.491 6.138 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091106 1072274759 /nfs/dbraw/zinc/27/47/59/1072274759.db2.gz PGQRNKQSEUBGRV-YNXJNZEASA-N 0 0 719.485 6.682 40 10 KKCBRN CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)NC1=S ZINC000409091639 1072269208 /nfs/dbraw/zinc/26/92/08/1072269208.db2.gz QXUILWDUEBIKGA-YVLHZVERSA-N 0 0 544.696 5.912 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409090816 1072277789 /nfs/dbraw/zinc/27/77/89/1072277789.db2.gz QKTKALZYWBIQID-UMUMUWHJSA-N 0 0 524.491 6.351 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409090503 1072280613 /nfs/dbraw/zinc/28/06/13/1072280613.db2.gz PSXZTBIOPNQLSV-JGVLGKFESA-N 0 0 534.497 5.725 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)S1 ZINC000409089387 1072290888 /nfs/dbraw/zinc/29/08/88/1072290888.db2.gz MFTSZZJWFGVWNH-LZYBPNLTSA-N 0 0 528.197 5.036 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409088809 1072295851 /nfs/dbraw/zinc/29/58/51/1072295851.db2.gz YJNJKVOYSHQRFG-BWAHOGKJSA-N 0 0 650.494 6.292 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409088609 1072296679 /nfs/dbraw/zinc/29/66/79/1072296679.db2.gz FWKXEZUGHFGPQP-SMLKNPDNSA-N 0 0 603.785 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409088492 1072298629 /nfs/dbraw/zinc/29/86/29/1072298629.db2.gz KBIAFEMEVGUADK-HQOKVJKCSA-N 0 0 599.366 6.179 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409088383 1072299950 /nfs/dbraw/zinc/29/99/50/1072299950.db2.gz LJFBEOOPZJZZNN-UXHLAJHPSA-N 0 0 595.696 7.934 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409088136 1072300520 /nfs/dbraw/zinc/30/05/20/1072300520.db2.gz DOVRRHJCLJZFLZ-OYKKKHCWSA-N 0 0 563.868 8.069 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409088122 1072300553 /nfs/dbraw/zinc/30/05/53/1072300553.db2.gz DHPKUXBLIVPRMA-RQZCQDPDSA-N 0 0 513.293 6.408 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409087926 1072304361 /nfs/dbraw/zinc/30/43/61/1072304361.db2.gz VAYTUPCESGGVQG-AZJUONQGSA-N 0 0 617.775 5.356 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)S1 ZINC000409087978 1072302000 /nfs/dbraw/zinc/30/20/00/1072302000.db2.gz VLJQILILZMMKGJ-FRKPEAEDSA-N 0 0 528.197 5.036 40 10 KKCBRN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409087946 1072304882 /nfs/dbraw/zinc/30/48/82/1072304882.db2.gz VEKPOJOUWNAPGT-DZGUVLCISA-N 0 0 606.334 6.557 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1 ZINC000409101005 1072316868 /nfs/dbraw/zinc/31/68/68/1072316868.db2.gz OGTHSTKNBUCTNN-UCQKPKSFSA-N 0 0 601.466 5.772 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409100590 1072319751 /nfs/dbraw/zinc/31/97/51/1072319751.db2.gz VCDTYQKAJFJACX-YMQRZWPISA-N 0 0 518.679 6.160 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409100449 1072320085 /nfs/dbraw/zinc/32/00/85/1072320085.db2.gz NJVMLYBHQWCAPK-BUVRLJJBSA-N 0 0 522.623 6.281 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409098096 1072333708 /nfs/dbraw/zinc/33/37/08/1072333708.db2.gz KBNLTAKNVFZJED-LQKURTRISA-N 0 0 698.035 8.877 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409335755 1072336206 /nfs/dbraw/zinc/33/62/06/1072336206.db2.gz ZGBLBGPAOIULAS-NVMNQCDNSA-N 0 0 555.415 5.223 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=O)cc1 ZINC000409097345 1072337893 /nfs/dbraw/zinc/33/78/93/1072337893.db2.gz NJVIXBCZOFVGOZ-PCLIKHOPSA-N 0 0 503.624 5.730 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409335207 1072340851 /nfs/dbraw/zinc/34/08/51/1072340851.db2.gz ZKZYOSZLSCVJJB-MXAYSNPKSA-N 0 0 607.670 5.773 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409335251 1072341274 /nfs/dbraw/zinc/34/12/74/1072341274.db2.gz ZUASVLVVRFXOTA-MTDXEUNCSA-N 0 0 619.606 8.052 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409335059 1072341625 /nfs/dbraw/zinc/34/16/25/1072341625.db2.gz XLAXUUVCEGSKGO-LSHDLFTRSA-N 0 0 637.904 6.667 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409335040 1072341641 /nfs/dbraw/zinc/34/16/41/1072341641.db2.gz YMEMLYWJDJBWFV-IWIPYMOSSA-N 0 0 506.605 6.287 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409335065 1072341682 /nfs/dbraw/zinc/34/16/82/1072341682.db2.gz YOXBUWCPXVHXEO-UCQKPKSFSA-N 0 0 621.949 7.324 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409335055 1072341721 /nfs/dbraw/zinc/34/17/21/1072341721.db2.gz YSFVNUJRDNDMGT-WGARJPEWSA-N 0 0 611.583 7.115 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409335051 1072341762 /nfs/dbraw/zinc/34/17/62/1072341762.db2.gz YSDNFESEFYRGGU-BKUYFWCQSA-N 0 0 546.895 7.096 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409334950 1072343015 /nfs/dbraw/zinc/34/30/15/1072343015.db2.gz YFZMSERSOLWXIL-WSDLNYQXSA-N 0 0 562.963 7.809 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409334789 1072344145 /nfs/dbraw/zinc/34/41/45/1072344145.db2.gz XQMVZQACWSBTFH-JMIUGGIZSA-N 0 0 626.388 7.482 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409334310 1072346706 /nfs/dbraw/zinc/34/67/06/1072346706.db2.gz WZAHEOSDPXJFKP-MZJWZYIUSA-N 0 0 620.546 7.715 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409334308 1072346772 /nfs/dbraw/zinc/34/67/72/1072346772.db2.gz WYGGZTFXYVIVDY-NHDPSOOVSA-N 0 0 506.863 7.632 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409334271 1072346812 /nfs/dbraw/zinc/34/68/12/1072346812.db2.gz WNLIPWBSRANVED-OYKKKHCWSA-N 0 0 564.645 5.093 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(Br)cc1O ZINC000409334192 1072348070 /nfs/dbraw/zinc/34/80/70/1072348070.db2.gz VAHUQCORPKWPLX-OMCISZLKSA-N 0 0 505.242 6.266 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409334152 1072348152 /nfs/dbraw/zinc/34/81/52/1072348152.db2.gz UNFAZGWEQHHNKH-XKZIYDEJSA-N 0 0 607.922 7.246 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)cc1 ZINC000409333714 1072351105 /nfs/dbraw/zinc/35/11/05/1072351105.db2.gz VISKPTVVSGSKDB-ODLFYWEKSA-N 0 0 517.382 6.032 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409332862 1072357693 /nfs/dbraw/zinc/35/76/93/1072357693.db2.gz RUXNJMGGQVFAFM-YSMPRRRNSA-N 0 0 576.700 5.860 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409104837 1072353548 /nfs/dbraw/zinc/35/35/48/1072353548.db2.gz IQSLGGVPSFXFBE-BUVRLJJBSA-N 0 0 564.620 5.229 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1N1CCCC1 ZINC000409104454 1072354374 /nfs/dbraw/zinc/35/43/74/1072354374.db2.gz ZUTCIYJVJNQDDH-PCLIKHOPSA-N 0 0 517.651 6.392 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409332936 1072358111 /nfs/dbraw/zinc/35/81/11/1072358111.db2.gz SNIUYSDUNODLCI-ZMOGYAJESA-N 0 0 543.928 8.364 40 10 KKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409104361 1072355175 /nfs/dbraw/zinc/35/51/75/1072355175.db2.gz YGVNKKTUWQZRLA-ZVHZXABRSA-N 0 0 506.624 6.519 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409104220 1072356061 /nfs/dbraw/zinc/35/60/61/1072356061.db2.gz BWNGLRUGXGJRKL-STBIYBPSSA-N 0 0 569.061 6.166 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1OC ZINC000409104264 1072356555 /nfs/dbraw/zinc/35/65/55/1072356555.db2.gz GYIVNYROFJHHID-OEAKJJBVSA-N 0 0 508.596 5.891 40 10 KKCBRN Cc1nn(Cc2ccccc2)c(C)c1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C ZINC000409333007 1072356776 /nfs/dbraw/zinc/35/67/76/1072356776.db2.gz AILIGUBWSAUZHQ-WCMJOSRZSA-N 0 0 504.678 6.822 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409332062 1072366026 /nfs/dbraw/zinc/36/60/26/1072366026.db2.gz PHCVCWDCJBWJKV-DICXZTSXSA-N 0 0 590.727 6.481 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000409332551 1072359720 /nfs/dbraw/zinc/35/97/20/1072359720.db2.gz QEDDOTMYILFLSW-DHDCSXOGSA-N 0 0 517.797 5.368 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409332420 1072361021 /nfs/dbraw/zinc/36/10/21/1072361021.db2.gz QNFBHLKVLGTKKV-CFRMEGHHSA-N 0 0 617.974 7.233 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000409332455 1072361279 /nfs/dbraw/zinc/36/12/79/1072361279.db2.gz QRMPJTCVRXUQLN-ODLFYWEKSA-N 0 0 500.941 5.701 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409332325 1072362952 /nfs/dbraw/zinc/36/29/52/1072362952.db2.gz QRXZRTCRZBFCCK-KQWNVCNZSA-N 0 0 527.645 5.267 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)c1 ZINC000409103136 1072363284 /nfs/dbraw/zinc/36/32/84/1072363284.db2.gz AYLXZLUJXGXTJJ-AJBULDERSA-N 0 0 590.701 8.216 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC ZINC000409331860 1072366644 /nfs/dbraw/zinc/36/66/44/1072366644.db2.gz OYGANJDHRLEMCM-MHWRWJLKSA-N 0 0 529.275 6.025 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409331769 1072367992 /nfs/dbraw/zinc/36/79/92/1072367992.db2.gz PAPCPHBHSHECKO-CHHVJCJISA-N 0 0 661.246 6.719 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)SC2=S)cc1 ZINC000409331571 1072368904 /nfs/dbraw/zinc/36/89/04/1072368904.db2.gz ONHFIPSYSHDIIK-GZTJUZNOSA-N 0 0 527.405 5.113 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c1 ZINC000409331453 1072370358 /nfs/dbraw/zinc/37/03/58/1072370358.db2.gz NCLVZSIHTDARNF-UFFVCSGVSA-N 0 0 627.485 8.296 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409331471 1072370434 /nfs/dbraw/zinc/37/04/34/1072370434.db2.gz NFMQUAZJLZQZAP-NHDPSOOVSA-N 0 0 543.966 6.363 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409331209 1072370815 /nfs/dbraw/zinc/37/08/15/1072370815.db2.gz MRVFKPSRWGDZNE-YVLHZVERSA-N 0 0 561.748 7.055 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409331297 1072371300 /nfs/dbraw/zinc/37/13/00/1072371300.db2.gz NXMPNHZVHOOXDX-HYARGMPZSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409330791 1072374214 /nfs/dbraw/zinc/37/42/14/1072374214.db2.gz MTZFNSLFVIZIBR-UUYOSTAYSA-N 0 0 595.367 8.139 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409330847 1072374554 /nfs/dbraw/zinc/37/45/54/1072374554.db2.gz MGKJTGKCAYPQJW-DICXZTSXSA-N 0 0 566.531 8.530 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409330357 1072377277 /nfs/dbraw/zinc/37/72/77/1072377277.db2.gz KXTBAKJRGWXMRH-PGGKNCGUSA-N 0 0 582.490 6.721 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409330291 1072379099 /nfs/dbraw/zinc/37/90/99/1072379099.db2.gz KOTPZNKCLHOPEN-JMIUGGIZSA-N 0 0 577.518 6.729 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409329737 1072381994 /nfs/dbraw/zinc/38/19/94/1072381994.db2.gz HNTDRNPYZLWADM-OPEKNORGSA-N 0 0 656.882 9.240 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409330118 1072379944 /nfs/dbraw/zinc/37/99/44/1072379944.db2.gz IYTDDQYHSAVUHO-FMCGGJTJSA-N 0 0 656.394 7.977 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000409329738 1072382091 /nfs/dbraw/zinc/38/20/91/1072382091.db2.gz HXOPYIKMUFNCQQ-HMAPJEAMSA-N 0 0 532.470 7.616 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)cc1Cl ZINC000409329589 1072383034 /nfs/dbraw/zinc/38/30/34/1072383034.db2.gz GJUBKRYQXFNLDQ-MSXFZWOLSA-N 0 0 552.052 6.487 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409329778 1072382584 /nfs/dbraw/zinc/38/25/84/1072382584.db2.gz IFGHUXRAGROYIY-UKWGHVSLSA-N 0 0 571.871 7.935 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000409329844 1072383097 /nfs/dbraw/zinc/38/30/97/1072383097.db2.gz HJZBACHLJSSMGL-AUEPDCJTSA-N 0 0 513.446 7.541 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409329862 1072383117 /nfs/dbraw/zinc/38/31/17/1072383117.db2.gz HVUHOAIATKBKCE-JMIUGGIZSA-N 0 0 505.404 7.184 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000409329836 1072382962 /nfs/dbraw/zinc/38/29/62/1072382962.db2.gz HHLYNTJQYSAADI-QRVIBDJDSA-N 0 0 523.452 6.997 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409329851 1072382997 /nfs/dbraw/zinc/38/29/97/1072382997.db2.gz HORMWVYMHFVCOO-ZDLGFXPLSA-N 0 0 522.410 6.519 40 10 KKCBRN O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409329458 1072384460 /nfs/dbraw/zinc/38/44/60/1072384460.db2.gz FUEOIKTXUHFGOL-MTJSOVHGSA-N 0 0 516.522 6.598 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409329455 1072384504 /nfs/dbraw/zinc/38/45/04/1072384504.db2.gz GAKMEVJXMSXAIT-UUYOSTAYSA-N 0 0 535.996 7.352 40 10 KKCBRN O=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409329313 1072385300 /nfs/dbraw/zinc/38/53/00/1072385300.db2.gz DNJQLIGDYINQHA-CJLVFECKSA-N 0 0 512.450 6.313 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409329419 1072386145 /nfs/dbraw/zinc/38/61/45/1072386145.db2.gz FSRUEZHGJBCTPZ-OEAKJJBVSA-N 0 0 589.964 7.162 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)cc1 ZINC000409329425 1072386262 /nfs/dbraw/zinc/38/62/62/1072386262.db2.gz FNDXMJDRNVRUMZ-CIAFOILYSA-N 0 0 567.023 5.769 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1C ZINC000409329186 1072386723 /nfs/dbraw/zinc/38/67/23/1072386723.db2.gz DQUYBVCLQXYQRE-WSDLNYQXSA-N 0 0 623.819 8.467 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409329001 1072387073 /nfs/dbraw/zinc/38/70/73/1072387073.db2.gz BUSAZHLTYHYAJP-SSDVNMTOSA-N 0 0 595.367 8.058 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409329057 1072387618 /nfs/dbraw/zinc/38/76/18/1072387618.db2.gz CFNKBAWHSQHXKF-MXAYSNPKSA-N 0 0 631.400 8.903 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328858 1072388576 /nfs/dbraw/zinc/38/85/76/1072388576.db2.gz BPDXVWRHSYGTTJ-AUEPDCJTSA-N 0 0 564.346 8.709 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409328910 1072388958 /nfs/dbraw/zinc/38/89/58/1072388958.db2.gz AFGGCKAJCINYSR-AUWJEWJLSA-N 0 0 597.212 5.449 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1Cl ZINC000409328893 1072389048 /nfs/dbraw/zinc/38/90/48/1072389048.db2.gz BYQGHZNJPIJTIH-XKZIYDEJSA-N 0 0 548.063 5.531 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409328834 1072390334 /nfs/dbraw/zinc/39/03/34/1072390334.db2.gz BITSYSJKQJJUSR-HAHDFKILSA-N 0 0 587.504 6.670 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409328818 1072390356 /nfs/dbraw/zinc/39/03/56/1072390356.db2.gz AZJPRDJIMMURIR-WGARJPEWSA-N 0 0 557.568 8.133 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328592 1072390820 /nfs/dbraw/zinc/39/08/20/1072390820.db2.gz YDRXKUPQXHFBDP-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCC ZINC000409328572 1072390860 /nfs/dbraw/zinc/39/08/60/1072390860.db2.gz XVIWRMNDNQEZFC-BOPFTXTBSA-N 0 0 529.396 5.634 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409328706 1072391756 /nfs/dbraw/zinc/39/17/56/1072391756.db2.gz AFNMHHONWHLIRB-WSDLNYQXSA-N 0 0 577.061 5.739 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409328482 1072392266 /nfs/dbraw/zinc/39/22/66/1072392266.db2.gz WBBZYYRMOXIENL-WSDLNYQXSA-N 0 0 639.818 8.249 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)c(C)c1 ZINC000409328559 1072393307 /nfs/dbraw/zinc/39/33/07/1072393307.db2.gz XOCVMHLXFBOAQG-MXAYSNPKSA-N 0 0 507.055 7.505 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409328280 1072393318 /nfs/dbraw/zinc/39/33/18/1072393318.db2.gz RFHQFDYHBOBXOY-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409328404 1072394055 /nfs/dbraw/zinc/39/40/55/1072394055.db2.gz UMAWNZHJNOQHJC-MTJSOVHGSA-N 0 0 609.792 7.845 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 ZINC000409328249 1072395056 /nfs/dbraw/zinc/39/50/56/1072395056.db2.gz QPJGXVLIRQTRDG-ZMFRSBBQSA-N 0 0 556.669 5.481 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409328262 1072395100 /nfs/dbraw/zinc/39/51/00/1072395100.db2.gz QVVQABAOPMQVLG-CFRMEGHHSA-N 0 0 628.526 6.406 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000409328001 1072395559 /nfs/dbraw/zinc/39/55/59/1072395559.db2.gz PAMRWPJAUFVFDF-YBFXNURJSA-N 0 0 515.956 5.063 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409327950 1072397331 /nfs/dbraw/zinc/39/73/31/1072397331.db2.gz NZGKGEFYZKRHMW-JJFYIABZSA-N 0 0 676.812 8.635 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c(C)c1 ZINC000409327587 1072399716 /nfs/dbraw/zinc/39/97/16/1072399716.db2.gz LALYTOODDVLBIF-QRVIBDJDSA-N 0 0 544.923 7.704 40 10 KKCBRN CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000409327406 1072400731 /nfs/dbraw/zinc/40/07/31/1072400731.db2.gz JOMAGGGMKFVIKI-SXGWCWSVSA-N 0 0 607.276 5.696 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409327405 1072400745 /nfs/dbraw/zinc/40/07/45/1072400745.db2.gz JOKNEZJBXNDUEL-XKZIYDEJSA-N 0 0 560.922 7.092 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409327400 1072400776 /nfs/dbraw/zinc/40/07/76/1072400776.db2.gz JNOGDAVDNGHQMA-CIAFOILYSA-N 0 0 539.547 5.718 40 10 KKCBRN Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCC[C@H]5C)cc4N4CCCC[C@@H]4C)c(=O)n3c2cc1C ZINC000409336841 1072408133 /nfs/dbraw/zinc/40/81/33/1072408133.db2.gz QMQMLZYBHSOUEP-XOJDFDTMSA-N 0 0 545.709 5.740 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1Cl ZINC000409346962 1072410105 /nfs/dbraw/zinc/41/01/05/1072410105.db2.gz OXNZSNOQFRYCIK-ZVBGSRNCSA-N 0 0 645.862 8.236 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409347020 1072410694 /nfs/dbraw/zinc/41/06/94/1072410694.db2.gz PJEASDMWCDLSGC-XKZIYDEJSA-N 0 0 591.467 6.814 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409346991 1072410706 /nfs/dbraw/zinc/41/07/06/1072410706.db2.gz PBAXNNOKQYXIQE-MYYYXRDXSA-N 0 0 548.089 6.206 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409346843 1072411146 /nfs/dbraw/zinc/41/11/46/1072411146.db2.gz OMXODBZUMKKBGR-MWLSYYOVSA-N 0 0 525.739 8.112 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000409346877 1072411740 /nfs/dbraw/zinc/41/17/40/1072411740.db2.gz OPGNOSNSNXKYLI-MTJSOVHGSA-N 0 0 531.105 7.527 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c1 ZINC000409107702 1072412392 /nfs/dbraw/zinc/41/23/92/1072412392.db2.gz SNRZMOOIKKYTSD-WPWMEQJKSA-N 0 0 540.641 7.063 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346904 1072412417 /nfs/dbraw/zinc/41/24/17/1072412417.db2.gz OQNZUMIXBCDBRK-WYMPLXKRSA-N 0 0 585.501 6.968 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C2=O)cc1 ZINC000409107562 1072413402 /nfs/dbraw/zinc/41/34/02/1072413402.db2.gz RXVGHFWVAIGCAU-PCLIKHOPSA-N 0 0 519.623 5.567 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409346786 1072413853 /nfs/dbraw/zinc/41/38/53/1072413853.db2.gz ONOVIMXOIGZPHU-MTJSOVHGSA-N 0 0 609.792 8.158 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409346591 1072414453 /nfs/dbraw/zinc/41/44/53/1072414453.db2.gz KRYQEVXPEGRLQI-NHDPSOOVSA-N 0 0 611.885 7.077 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409346570 1072414508 /nfs/dbraw/zinc/41/45/08/1072414508.db2.gz LLJNLXILUJENSL-SSDVNMTOSA-N 0 0 556.459 6.171 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1Cc1ccccc1 ZINC000409346388 1072415433 /nfs/dbraw/zinc/41/54/33/1072415433.db2.gz KDSBSKAHRNEKNY-QQXSKIMKSA-N 0 0 502.060 7.474 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1F ZINC000409346421 1072415463 /nfs/dbraw/zinc/41/54/63/1072415463.db2.gz KMNLAHHIVSRHPI-ZVHZXABRSA-N 0 0 511.665 6.931 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1Cl ZINC000409346433 1072415508 /nfs/dbraw/zinc/41/55/08/1072415508.db2.gz KOYQXCDMVWIQIH-UUYOSTAYSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CC(=O)Nc5ccc(F)cc5)C4=O)c3C)cc2)cc1 ZINC000409123314 1072415877 /nfs/dbraw/zinc/41/58/77/1072415877.db2.gz GCAFBXWTOIWALV-QRQIAZFYSA-N 0 0 571.630 6.709 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1)c1ccccc1 ZINC000409122997 1072417422 /nfs/dbraw/zinc/41/74/22/1072417422.db2.gz DDQHENGOJFTVLK-FMCGGJTJSA-N 0 0 506.414 6.397 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409346023 1072419105 /nfs/dbraw/zinc/41/91/05/1072419105.db2.gz MRIQEEZXJYBWRF-NKVSQWTQSA-N 0 0 569.304 7.880 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409346038 1072419733 /nfs/dbraw/zinc/41/97/33/1072419733.db2.gz NDDGXXVLRMASQS-XKZIYDEJSA-N 0 0 560.922 7.404 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409345890 1072420772 /nfs/dbraw/zinc/42/07/72/1072420772.db2.gz LUAUPYPIHYUWJL-BRJLIKDPSA-N 0 0 548.642 5.464 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)S1)c1ccccc1 ZINC000409122650 1072420995 /nfs/dbraw/zinc/42/09/95/1072420995.db2.gz AQERLHGMXDRJBQ-BKUYFWCQSA-N 0 0 511.372 5.568 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)SC2=S)cc1 ZINC000409122633 1072421000 /nfs/dbraw/zinc/42/10/00/1072421000.db2.gz AKWUBGUWWMDYDM-PKAZHMFMSA-N 0 0 530.671 6.139 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409345234 1072425278 /nfs/dbraw/zinc/42/52/78/1072425278.db2.gz KJVDNLLBFAMMJC-XKZIYDEJSA-N 0 0 538.025 7.019 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409345487 1072425296 /nfs/dbraw/zinc/42/52/96/1072425296.db2.gz ITRMOZDPATXXET-FMCGGJTJSA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409345137 1072426936 /nfs/dbraw/zinc/42/69/36/1072426936.db2.gz JZWVCJFRALMMAD-XYGWBWBKSA-N 0 0 518.660 5.813 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409345199 1072427521 /nfs/dbraw/zinc/42/75/21/1072427521.db2.gz KISDNZKHZHDCIV-PXNMLYILSA-N 0 0 607.276 5.927 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409344643 1072430220 /nfs/dbraw/zinc/43/02/20/1072430220.db2.gz HVWJQNNZHNNRFD-FMCGGJTJSA-N 0 0 516.015 6.481 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409344494 1072431041 /nfs/dbraw/zinc/43/10/41/1072431041.db2.gz GSDCTLAOCZQSGN-SSDVNMTOSA-N 0 0 655.817 7.867 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409344336 1072432231 /nfs/dbraw/zinc/43/22/31/1072432231.db2.gz IQIMDUWMINQQQS-ZVHZXABRSA-N 0 0 572.521 7.589 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409344362 1072432323 /nfs/dbraw/zinc/43/23/23/1072432323.db2.gz ITNJPGCSURQYHW-HMAPJEAMSA-N 0 0 624.522 6.711 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000409344203 1072433477 /nfs/dbraw/zinc/43/34/77/1072433477.db2.gz IBOMIPZKOLQFQK-NHDPSOOVSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409344262 1072433908 /nfs/dbraw/zinc/43/39/08/1072433908.db2.gz IKWYGZRAAYKZMX-QRVIBDJDSA-N 0 0 535.603 5.335 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409344302 1072434536 /nfs/dbraw/zinc/43/45/36/1072434536.db2.gz IUYWCOMPEJIRLG-AWQFTUOYSA-N 0 0 592.836 7.117 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409344142 1072435552 /nfs/dbraw/zinc/43/55/52/1072435552.db2.gz FQHNBEZZXQAKQU-AFUMVMLFSA-N 0 0 566.929 8.241 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409118936 1072438361 /nfs/dbraw/zinc/43/83/61/1072438361.db2.gz QOTRIENHFXRBKG-JFLMPSFJSA-N 0 0 728.459 8.596 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409343613 1072438377 /nfs/dbraw/zinc/43/83/77/1072438377.db2.gz FCISKYMKJSEPCL-XKZIYDEJSA-N 0 0 642.367 7.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409343550 1072440815 /nfs/dbraw/zinc/44/08/15/1072440815.db2.gz IAARWWABVJHNHB-LSHDLFTRSA-N 0 0 636.889 7.516 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1O ZINC000409343383 1072441282 /nfs/dbraw/zinc/44/12/82/1072441282.db2.gz GNYOWKJVDDQPLM-OQLLNIDSSA-N 0 0 562.248 5.564 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409343415 1072441797 /nfs/dbraw/zinc/44/17/97/1072441797.db2.gz GQQDYXSCQKCRHU-AWQFTUOYSA-N 0 0 709.106 9.266 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409343305 1072443193 /nfs/dbraw/zinc/44/31/93/1072443193.db2.gz GJFYSGGIPGJHRX-UFFVCSGVSA-N 0 0 630.210 8.503 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409343302 1072443202 /nfs/dbraw/zinc/44/32/02/1072443202.db2.gz GICWLWZMVVTLJP-ZMOGYAJESA-N 0 0 660.999 6.292 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1 ZINC000409343067 1072443646 /nfs/dbraw/zinc/44/36/46/1072443646.db2.gz FUWHXCDZRGDYLD-ONUIUJJFSA-N 0 0 526.639 5.974 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409343108 1072444296 /nfs/dbraw/zinc/44/42/96/1072444296.db2.gz FYJWWZXROSMLBH-SSDVNMTOSA-N 0 0 577.061 5.739 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409342992 1072445347 /nfs/dbraw/zinc/44/53/47/1072445347.db2.gz DDNBHIMMVISKOO-OYKKKHCWSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409342727 1072446063 /nfs/dbraw/zinc/44/60/63/1072446063.db2.gz GFBVCVFQBJBAHW-LPYMAVHISA-N 0 0 550.023 7.742 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409342786 1072446540 /nfs/dbraw/zinc/44/65/40/1072446540.db2.gz CLUQVZIRQXUMCQ-QRVIBDJDSA-N 0 0 537.575 6.408 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S ZINC000409342616 1072447566 /nfs/dbraw/zinc/44/75/66/1072447566.db2.gz GZNJTFZYPKKAMG-MXAYSNPKSA-N 0 0 544.658 5.273 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409127167 1072447682 /nfs/dbraw/zinc/44/76/82/1072447682.db2.gz BZQUQRLGXVUSLR-HAHDFKILSA-N 0 0 525.537 6.917 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409342676 1072448055 /nfs/dbraw/zinc/44/80/55/1072448055.db2.gz GAPLMJRHVAJEQM-RZNTYIFUSA-N 0 0 648.112 6.617 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1 ZINC000409342468 1072448641 /nfs/dbraw/zinc/44/86/41/1072448641.db2.gz FFKOYOQDYFEUTB-RGVLZGJSSA-N 0 0 581.391 7.574 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc43)SC2=S)cc1Cl ZINC000409342527 1072448653 /nfs/dbraw/zinc/44/86/53/1072448653.db2.gz DRPAMIKXUVNBJO-YSMPRRRNSA-N 0 0 518.059 7.487 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000409342310 1072449061 /nfs/dbraw/zinc/44/90/61/1072449061.db2.gz DEXZRCCFEWLTQF-LPYMAVHISA-N 0 0 514.441 6.569 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409342564 1072449099 /nfs/dbraw/zinc/44/90/99/1072449099.db2.gz FQVQNKDMJYLVPH-LPYMAVHISA-N 0 0 530.896 7.396 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409342567 1072449141 /nfs/dbraw/zinc/44/91/41/1072449141.db2.gz DODJNHKHVMXADF-ZMOGYAJESA-N 0 0 662.425 7.260 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409126880 1072449851 /nfs/dbraw/zinc/44/98/51/1072449851.db2.gz GIQRBJKUAWXIHE-OYKKKHCWSA-N 0 0 551.462 6.136 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccccc1 ZINC000409341876 1072453246 /nfs/dbraw/zinc/45/32/46/1072453246.db2.gz CQAJEVGOIIDLSX-PDGQHHTCSA-N 0 0 525.433 5.490 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409341810 1072455473 /nfs/dbraw/zinc/45/54/73/1072455473.db2.gz CGRMSAWFUNQDJW-QRVIBDJDSA-N 0 0 560.575 7.519 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409341291 1072458692 /nfs/dbraw/zinc/45/86/92/1072458692.db2.gz AYRMENAAWZYPDE-LGJNPRDNSA-N 0 0 562.669 5.854 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409341351 1072459137 /nfs/dbraw/zinc/45/91/37/1072459137.db2.gz BJJQHVHFYKHBNR-UFFVCSGVSA-N 0 0 569.304 7.880 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)N1CCOCC1 ZINC000409125618 1072459543 /nfs/dbraw/zinc/45/95/43/1072459543.db2.gz ACRJYKFTALFYDY-XKZIYDEJSA-N 0 0 562.555 5.044 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409125203 1072461263 /nfs/dbraw/zinc/46/12/63/1072461263.db2.gz JKDPNQWXQKFQLS-WGOQTCKBSA-N 0 0 610.530 5.331 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)cc2)cc1C ZINC000409341029 1072461542 /nfs/dbraw/zinc/46/15/42/1072461542.db2.gz BZXBEOLBJPIEEZ-WPWMEQJKSA-N 0 0 524.667 6.880 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409125110 1072462336 /nfs/dbraw/zinc/46/23/36/1072462336.db2.gz MNYDSLVEEWUULP-ROTLSHHCSA-N 0 0 602.406 8.203 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409124608 1072464757 /nfs/dbraw/zinc/46/47/57/1072464757.db2.gz JXPMOVIUYNEJSS-OYKKKHCWSA-N 0 0 518.708 5.449 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409340389 1072465782 /nfs/dbraw/zinc/46/57/82/1072465782.db2.gz WHKZSQGKZBOVES-UCQKPKSFSA-N 0 0 530.498 7.685 40 10 KKCBRN O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409340458 1072466404 /nfs/dbraw/zinc/46/64/04/1072466404.db2.gz XNPWOELCKXCMQP-UKWGHVSLSA-N 0 0 548.385 7.008 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000409340275 1072467432 /nfs/dbraw/zinc/46/74/32/1072467432.db2.gz TYXBFECEWKWLQG-NHDPSOOVSA-N 0 0 551.314 7.741 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1Cl ZINC000409340314 1072467903 /nfs/dbraw/zinc/46/79/03/1072467903.db2.gz UXQQFGDSGPRXRU-SSDVNMTOSA-N 0 0 594.911 7.244 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409340347 1072468090 /nfs/dbraw/zinc/46/80/90/1072468090.db2.gz VQKZUWAZOQISMP-YVNNLAQVSA-N 0 0 554.879 7.779 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S)c1ccc(Cl)cc1 ZINC000409340114 1072468495 /nfs/dbraw/zinc/46/84/95/1072468495.db2.gz QPEKENZJSQLBPB-PCLIKHOPSA-N 0 0 531.058 6.618 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409340372 1072468596 /nfs/dbraw/zinc/46/85/96/1072468596.db2.gz VXVYAXQBHNPNJS-NHDPSOOVSA-N 0 0 609.336 7.344 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409340382 1072468622 /nfs/dbraw/zinc/46/86/22/1072468622.db2.gz WARUCHQFBCDOMG-IUXPMGMMSA-N 0 0 624.305 5.954 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000409340185 1072469101 /nfs/dbraw/zinc/46/91/01/1072469101.db2.gz RVEASLWWGQDPPZ-UUYOSTAYSA-N 0 0 573.515 7.064 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1Cl ZINC000409339981 1072470171 /nfs/dbraw/zinc/47/01/71/1072470171.db2.gz NZUIHWHDYXYQSO-MSXFZWOLSA-N 0 0 509.027 6.897 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409339986 1072470173 /nfs/dbraw/zinc/47/01/73/1072470173.db2.gz OBALASZLYJUCTN-ZMOGYAJESA-N 0 0 562.565 8.099 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC(=S)N1C1CCCCC1 ZINC000409340040 1072470711 /nfs/dbraw/zinc/47/07/11/1072470711.db2.gz PHFHSRGLBQWSGV-MOSHPQCFSA-N 0 0 661.368 7.009 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409339731 1072472902 /nfs/dbraw/zinc/47/29/02/1072472902.db2.gz LIONXEJDQIYRRW-QQXSKIMKSA-N 0 0 610.982 8.639 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409339773 1072473592 /nfs/dbraw/zinc/47/35/92/1072473592.db2.gz YEEOSCONWHRVDW-YVLHZVERSA-N 0 0 561.748 7.055 40 10 KKCBRN Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409136768 1072475798 /nfs/dbraw/zinc/47/57/98/1072475798.db2.gz ZJQNNWFAJACUOR-ONUIUJJFSA-N 0 0 526.643 6.416 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409136597 1072476392 /nfs/dbraw/zinc/47/63/92/1072476392.db2.gz RXKOXSPUEPZOSY-XHPQRKPJSA-N 0 0 531.747 6.050 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409339257 1072477109 /nfs/dbraw/zinc/47/71/09/1072477109.db2.gz GFHPVXQVKYTBGT-YSMPRRRNSA-N 0 0 621.534 7.894 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409136615 1072477112 /nfs/dbraw/zinc/47/71/12/1072477112.db2.gz XUXMJENFHYNKDE-FMCGGJTJSA-N 0 0 543.870 6.738 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Br)cc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409136703 1072477397 /nfs/dbraw/zinc/47/73/97/1072477397.db2.gz ULRHSTGDJVBRKB-ROTLSHHCSA-N 0 0 628.411 7.625 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409339309 1072477473 /nfs/dbraw/zinc/47/74/73/1072477473.db2.gz HDDQSUXXRTZFBR-YDZHTSKRSA-N 0 0 609.394 8.448 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000409339296 1072477543 /nfs/dbraw/zinc/47/75/43/1072477543.db2.gz TUSHJXMDDYNWDY-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409339355 1072478104 /nfs/dbraw/zinc/47/81/04/1072478104.db2.gz ULWWCKXPCSAHIZ-UKWGHVSLSA-N 0 0 626.388 7.482 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409339148 1072478616 /nfs/dbraw/zinc/47/86/16/1072478616.db2.gz SFPMBNZXCIYJOZ-MTJSOVHGSA-N 0 0 534.859 7.226 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409339174 1072478653 /nfs/dbraw/zinc/47/86/53/1072478653.db2.gz SNGMHOCWEQOFNO-SSDVNMTOSA-N 0 0 628.340 7.591 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1Cl ZINC000409339153 1072478687 /nfs/dbraw/zinc/47/86/87/1072478687.db2.gz FIEYTAUGEPRRIV-LSFURLLWSA-N 0 0 645.811 8.411 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409338989 1072479768 /nfs/dbraw/zinc/47/97/68/1072479768.db2.gz CXODAQWSXHZMMI-XKZIYDEJSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)SC2=S)cc1Cl ZINC000409338967 1072479772 /nfs/dbraw/zinc/47/97/72/1072479772.db2.gz COGMPUCYRFJUIQ-CFRMEGHHSA-N 0 0 555.077 6.089 40 10 KKCBRN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409339036 1072480280 /nfs/dbraw/zinc/48/02/80/1072480280.db2.gz DNRSKAKXSUVIJU-APSNUPSMSA-N 0 0 533.252 5.714 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409339027 1072480334 /nfs/dbraw/zinc/48/03/34/1072480334.db2.gz DKFBSKNXEFGSAH-QRVIBDJDSA-N 0 0 560.575 6.997 40 10 KKCBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409338811 1072480856 /nfs/dbraw/zinc/48/08/56/1072480856.db2.gz BMQFRNZMPDOORO-VXLYETTFSA-N 0 0 569.285 7.208 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409338867 1072481347 /nfs/dbraw/zinc/48/13/47/1072481347.db2.gz PVORNFGUUYJIFK-AUEPDCJTSA-N 0 0 639.376 7.868 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000409338679 1072482483 /nfs/dbraw/zinc/48/24/83/1072482483.db2.gz OGBIFSLVGLFCLF-CPNJWEJPSA-N 0 0 539.460 5.880 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409338699 1072482491 /nfs/dbraw/zinc/48/24/91/1072482491.db2.gz OOQMQQGXSRTKJO-FSJBWODESA-N 0 0 625.393 8.148 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccncc1 ZINC000409338723 1072482966 /nfs/dbraw/zinc/48/29/66/1072482966.db2.gz OYMWWYAKRAGJET-MTJSOVHGSA-N 0 0 502.539 6.094 40 10 KKCBRN CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409338757 1072482982 /nfs/dbraw/zinc/48/29/82/1072482982.db2.gz AHAGILJRSGGWPK-ZMOGYAJESA-N 0 0 633.973 6.933 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409338713 1072483075 /nfs/dbraw/zinc/48/30/75/1072483075.db2.gz OVWWFEBUURKLJJ-MTJSOVHGSA-N 0 0 625.791 7.858 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409338764 1072483082 /nfs/dbraw/zinc/48/30/82/1072483082.db2.gz ALPXHCUBRXKVPC-YDZHTSKRSA-N 0 0 558.494 7.198 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409338555 1072484093 /nfs/dbraw/zinc/48/40/93/1072484093.db2.gz LYMYBTIWLDYQGV-GZIVZEMBSA-N 0 0 595.323 7.469 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409338563 1072484155 /nfs/dbraw/zinc/48/41/55/1072484155.db2.gz MCIROBXNIWULDX-ZVHZXABRSA-N 0 0 528.120 7.445 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409338416 1072485690 /nfs/dbraw/zinc/48/56/90/1072485690.db2.gz JMWRFANMVYPQJG-STZFKDTASA-N 0 0 508.581 5.263 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338255 1072486683 /nfs/dbraw/zinc/48/66/83/1072486683.db2.gz GQRVEIOLKAUNLY-CIAFOILYSA-N 0 0 534.859 7.226 40 10 KKCBRN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338204 1072486703 /nfs/dbraw/zinc/48/67/03/1072486703.db2.gz FRAMEUJYJJPZOM-BNCCVWRVSA-N 0 0 528.678 6.752 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1C ZINC000409338279 1072487185 /nfs/dbraw/zinc/48/71/85/1072487185.db2.gz HDEACVNPHXIHIA-ROTLSHHCSA-N 0 0 507.055 7.505 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409338120 1072488311 /nfs/dbraw/zinc/48/83/11/1072488311.db2.gz DIUQFRMRZSUKEV-VCHYOVAHSA-N 0 0 528.877 6.314 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338196 1072488914 /nfs/dbraw/zinc/48/89/14/1072488914.db2.gz FPEBQKDNROGFPY-BKUYFWCQSA-N 0 0 561.320 7.196 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409134949 1072489325 /nfs/dbraw/zinc/48/93/25/1072489325.db2.gz OUFZLILFPJHWJG-MXAYSNPKSA-N 0 0 549.515 6.862 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCCC[C@@H]4C)c4ccccc34)SC2=S)cc1 ZINC000409134737 1072490007 /nfs/dbraw/zinc/49/00/07/1072490007.db2.gz PLFALMAEZXGYEW-QETRNLNESA-N 0 0 519.692 5.452 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409338050 1072490426 /nfs/dbraw/zinc/49/04/26/1072490426.db2.gz CAZPTCXVYPHMKD-HYARGMPZSA-N 0 0 573.477 6.593 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409357202 1072496709 /nfs/dbraw/zinc/49/67/09/1072496709.db2.gz HTRUSONYXYQXPG-MFINZOPQSA-N 0 0 527.654 6.244 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409133621 1072498814 /nfs/dbraw/zinc/49/88/14/1072498814.db2.gz MQUBKXYJXNYJSG-SMNNTEATSA-N 0 0 574.610 6.586 40 10 KKCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409133623 1072498862 /nfs/dbraw/zinc/49/88/62/1072498862.db2.gz MQUBKXYJXNYJSG-YNJLWJOVSA-N 0 0 574.610 6.586 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409133347 1072500307 /nfs/dbraw/zinc/50/03/07/1072500307.db2.gz SNEFSKGYYBPDFR-NTFVMDSBSA-N 0 0 558.660 6.220 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCCCC1 ZINC000409132537 1072503836 /nfs/dbraw/zinc/50/38/36/1072503836.db2.gz QFWKBEBIMSOION-XYGWBWBKSA-N 0 0 582.589 6.250 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409132616 1072504235 /nfs/dbraw/zinc/50/42/35/1072504235.db2.gz KHVNVTYFPOREDT-MYYYXRDXSA-N 0 0 549.515 7.197 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2cc(Br)ccc21)NCc1ccco1 ZINC000409131857 1072507634 /nfs/dbraw/zinc/50/76/34/1072507634.db2.gz YOJNPUFSZNWJFZ-FMCGGJTJSA-N 0 0 572.550 6.095 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC1=S ZINC000409131587 1072509610 /nfs/dbraw/zinc/50/96/10/1072509610.db2.gz JLFSGORPYPCBCY-NKVSQWTQSA-N 0 0 503.462 6.448 40 10 KKCBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)c1 ZINC000409354965 1072512984 /nfs/dbraw/zinc/51/29/84/1072512984.db2.gz BGGBBPMGEFCINR-NVQSTNCTSA-N 0 0 514.655 6.972 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2c(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S ZINC000409354267 1072515867 /nfs/dbraw/zinc/51/58/67/1072515867.db2.gz BEQUVSKZLVGZAI-WGARJPEWSA-N 0 0 557.653 5.732 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)S1)c1ccccc1 ZINC000409129915 1072517436 /nfs/dbraw/zinc/51/74/36/1072517436.db2.gz VKSAGRPIORRZPW-NDENLUEZSA-N 0 0 684.268 6.014 40 10 KKCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 ZINC000409129292 1072520476 /nfs/dbraw/zinc/52/04/76/1072520476.db2.gz KTBNUMWIYSSDAE-QQXSKIMKSA-N 0 0 515.660 5.915 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409129212 1072521249 /nfs/dbraw/zinc/52/12/49/1072521249.db2.gz KLAUQXHMHNLEEO-PKAZHMFMSA-N 0 0 577.569 7.235 40 10 KKCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 ZINC000409129123 1072522267 /nfs/dbraw/zinc/52/22/67/1072522267.db2.gz UMTOUARBXSPTBD-VBHHZLGVSA-N 0 0 558.523 5.799 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409128844 1072522795 /nfs/dbraw/zinc/52/27/95/1072522795.db2.gz UMFYZYLHTBPFAQ-QQXSKIMKSA-N 0 0 604.035 8.308 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409128726 1072523834 /nfs/dbraw/zinc/52/38/34/1072523834.db2.gz KTGXDXLSJHILPH-KSEXSDGBSA-N 0 0 569.550 5.459 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1)c1ccccc1 ZINC000409128417 1072525293 /nfs/dbraw/zinc/52/52/93/1072525293.db2.gz FJADEUZJDYYNTR-QRVIBDJDSA-N 0 0 506.414 6.397 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409352920 1072525571 /nfs/dbraw/zinc/52/55/71/1072525571.db2.gz ZOYHIRXVNRHLRN-YDZHTSKRSA-N 0 0 574.602 6.146 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000409352883 1072525621 /nfs/dbraw/zinc/52/56/21/1072525621.db2.gz ZLLKGCSYPUONPZ-ZVHZXABRSA-N 0 0 639.420 8.538 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409352713 1072526006 /nfs/dbraw/zinc/52/60/06/1072526006.db2.gz YFCAQPDPPLUURD-WYMPLXKRSA-N 0 0 536.587 5.707 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409352758 1072526567 /nfs/dbraw/zinc/52/65/67/1072526567.db2.gz YNASTAKKFIJIRO-CIAFOILYSA-N 0 0 575.546 5.961 40 10 KKCBRN O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409352083 1072529403 /nfs/dbraw/zinc/52/94/03/1072529403.db2.gz WAAPRDGACDXKKA-JMIUGGIZSA-N 0 0 536.940 7.465 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OC ZINC000409352182 1072530375 /nfs/dbraw/zinc/53/03/75/1072530375.db2.gz WTDNQOTYAIRESP-BOPFTXTBSA-N 0 0 511.406 5.413 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=S)cc1 ZINC000409351396 1072535794 /nfs/dbraw/zinc/53/57/94/1072535794.db2.gz UNIXGHIUXSRVHM-WPWMEQJKSA-N 0 0 556.665 5.982 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 ZINC000409351438 1072535821 /nfs/dbraw/zinc/53/58/21/1072535821.db2.gz UKGBJKJQSPEUNW-KEBDBYFISA-N 0 0 658.861 7.368 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409351467 1072536192 /nfs/dbraw/zinc/53/61/92/1072536192.db2.gz UUVQETHYHXXOKI-RZNTYIFUSA-N 0 0 554.112 6.933 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000409351219 1072536770 /nfs/dbraw/zinc/53/67/70/1072536770.db2.gz ZMBCFOIVEOFHAY-YBFXNURJSA-N 0 0 517.382 6.032 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)SC1=S ZINC000409351231 1072536815 /nfs/dbraw/zinc/53/68/15/1072536815.db2.gz ZQQGGFVGQZSDQI-MTJSOVHGSA-N 0 0 549.512 5.703 40 10 KKCBRN O=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409144078 1072537028 /nfs/dbraw/zinc/53/70/28/1072537028.db2.gz NEUATOUGUWXCQX-PKAZHMFMSA-N 0 0 612.014 7.970 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409351246 1072537221 /nfs/dbraw/zinc/53/72/21/1072537221.db2.gz ZXUQNHHDNJUEQK-YVNNLAQVSA-N 0 0 554.879 7.779 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409144144 1072537671 /nfs/dbraw/zinc/53/76/71/1072537671.db2.gz JVQGTQOHBSUFNQ-OEAKJJBVSA-N 0 0 525.051 5.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409351091 1072538026 /nfs/dbraw/zinc/53/80/26/1072538026.db2.gz ZJMAFHRDRWTRJU-JJFYIABZSA-N 0 0 640.364 8.048 40 10 KKCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409351149 1072538462 /nfs/dbraw/zinc/53/84/62/1072538462.db2.gz ZSCDQSFGWXGLTI-NHDPSOOVSA-N 0 0 544.448 5.569 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409350777 1072539877 /nfs/dbraw/zinc/53/98/77/1072539877.db2.gz ZAEIYPJMKYOLOP-YSMPRRRNSA-N 0 0 564.754 6.964 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)cc1C ZINC000409350877 1072540852 /nfs/dbraw/zinc/54/08/52/1072540852.db2.gz ZAJYDUHKQMIZCK-JVWAILMASA-N 0 0 516.087 8.095 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409350660 1072541429 /nfs/dbraw/zinc/54/14/29/1072541429.db2.gz SEZPQPHMGPUMEW-CIAFOILYSA-N 0 0 547.035 5.730 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)SC2=S)cc1Cl ZINC000409350682 1072541694 /nfs/dbraw/zinc/54/16/94/1072541694.db2.gz YTEILMBHPFJSJQ-LZYBPNLTSA-N 0 0 547.823 5.376 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409350727 1072541717 /nfs/dbraw/zinc/54/17/17/1072541717.db2.gz SAVYIFVPWWCMGS-YVNNLAQVSA-N 0 0 544.423 6.302 40 10 KKCBRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409143318 1072541849 /nfs/dbraw/zinc/54/18/49/1072541849.db2.gz DLCCPSGSBWTRFQ-HAHDFKILSA-N 0 0 511.068 6.527 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409350492 1072542232 /nfs/dbraw/zinc/54/22/32/1072542232.db2.gz YHCDIPHGBCWUGB-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CCc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409143043 1072543113 /nfs/dbraw/zinc/54/31/13/1072543113.db2.gz MRCKKTZESFBRQX-BRPDVVIDSA-N 0 0 524.642 7.174 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 ZINC000409143080 1072543641 /nfs/dbraw/zinc/54/36/41/1072543641.db2.gz MTAKZPTZZGCEBT-CFRMEGHHSA-N 0 0 543.527 7.373 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000409350263 1072544968 /nfs/dbraw/zinc/54/49/68/1072544968.db2.gz XKELIWFKTZKREZ-BOPFTXTBSA-N 0 0 511.406 5.413 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409350123 1072545761 /nfs/dbraw/zinc/54/57/61/1072545761.db2.gz XLWSBBLPIDAHGY-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409142795 1072545903 /nfs/dbraw/zinc/54/59/03/1072545903.db2.gz CARLLWFSANGOOV-VXLYETTFSA-N 0 0 534.402 6.016 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409349909 1072546285 /nfs/dbraw/zinc/54/62/85/1072546285.db2.gz WOFIQCWFFBCTAJ-ONUIUJJFSA-N 0 0 576.537 7.986 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409349952 1072546682 /nfs/dbraw/zinc/54/66/82/1072546682.db2.gz WQPCUDXPEOUHCE-NHDPSOOVSA-N 0 0 584.866 8.106 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1 ZINC000409349840 1072547688 /nfs/dbraw/zinc/54/76/88/1072547688.db2.gz RAPRRWLFGPZUBH-YBFXNURJSA-N 0 0 505.404 5.808 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409349628 1072548063 /nfs/dbraw/zinc/54/80/63/1072548063.db2.gz VQOJYGXDRUNASC-XKZIYDEJSA-N 0 0 560.922 7.404 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142165 1072549136 /nfs/dbraw/zinc/54/91/36/1072549136.db2.gz BQHNEVXDICIROB-ZMOGYAJESA-N 0 0 504.677 5.714 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142029 1072550129 /nfs/dbraw/zinc/55/01/29/1072550129.db2.gz AKSQDRIPQFXLRL-YSURURNPSA-N 0 0 573.567 7.021 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409349429 1072550630 /nfs/dbraw/zinc/55/06/30/1072550630.db2.gz PUJHGLCDXZSCGB-GIJQJNRQSA-N 0 0 600.697 7.439 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br ZINC000409349165 1072550693 /nfs/dbraw/zinc/55/06/93/1072550693.db2.gz URIILMDIRFQRRC-VIZOYTHASA-N 0 0 519.667 6.279 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409141698 1072551386 /nfs/dbraw/zinc/55/13/86/1072551386.db2.gz BLPACWNSBITXEF-MYYYXRDXSA-N 0 0 584.620 5.625 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409141825 1072551864 /nfs/dbraw/zinc/55/18/64/1072551864.db2.gz BYJVDWVFPHAGFD-YDZHTSKRSA-N 0 0 570.048 5.690 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409349275 1072551994 /nfs/dbraw/zinc/55/19/94/1072551994.db2.gz VJKITSAUSSFLIC-BHGWPJFGSA-N 0 0 550.658 6.131 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409349288 1072552016 /nfs/dbraw/zinc/55/20/16/1072552016.db2.gz VIIMYKRMKGTGSG-FBHDLOMBSA-N 0 0 599.330 7.888 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409141445 1072553116 /nfs/dbraw/zinc/55/31/16/1072553116.db2.gz HYMIEPVHROJOFK-RMORIDSASA-N 0 0 599.373 7.011 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409141429 1072553249 /nfs/dbraw/zinc/55/32/49/1072553249.db2.gz NUGWHECQIGRZKQ-UCQKPKSFSA-N 0 0 568.076 5.221 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409141480 1072553632 /nfs/dbraw/zinc/55/36/32/1072553632.db2.gz ISRYQAYRPGHGSJ-LMJDSDMOSA-N 0 0 531.530 6.939 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c(Cl)c1 ZINC000409141304 1072554147 /nfs/dbraw/zinc/55/41/47/1072554147.db2.gz NAPWOVARHRFOMY-LPYMAVHISA-N 0 0 529.470 6.427 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409349000 1072554184 /nfs/dbraw/zinc/55/41/84/1072554184.db2.gz QWQWCBJTQCKXDI-UZSWYQHBSA-N 0 0 624.598 8.268 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409140984 1072555410 /nfs/dbraw/zinc/55/54/10/1072555410.db2.gz GFXDYXQZOFAJDG-NHDPSOOVSA-N 0 0 544.496 5.411 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409348544 1072557017 /nfs/dbraw/zinc/55/70/17/1072557017.db2.gz OJGIWFPRXDWPTK-MFKUBSTISA-N 0 0 562.650 6.230 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409140937 1072557166 /nfs/dbraw/zinc/55/71/66/1072557166.db2.gz HCFAIULUMVRGPC-JOODZBNRSA-N 0 0 551.715 6.534 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409348302 1072557298 /nfs/dbraw/zinc/55/72/98/1072557298.db2.gz ORGMWZYEBXNPNU-ZRGSRPPYSA-N 0 0 571.636 5.452 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OC ZINC000409348354 1072557685 /nfs/dbraw/zinc/55/76/85/1072557685.db2.gz SQCCURAJYWGXSO-CHHVJCJISA-N 0 0 552.242 6.021 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409348365 1072557722 /nfs/dbraw/zinc/55/77/22/1072557722.db2.gz SHQCIRJVBARBAN-SSDVNMTOSA-N 0 0 667.390 6.328 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1Cl ZINC000409348147 1072558263 /nfs/dbraw/zinc/55/82/63/1072558263.db2.gz RLHHIUFUYCVJFL-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409348204 1072558749 /nfs/dbraw/zinc/55/87/49/1072558749.db2.gz RZDOMDADXRFXAJ-MYKKPKGFSA-N 0 0 652.419 7.805 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409348210 1072558781 /nfs/dbraw/zinc/55/87/81/1072558781.db2.gz RSQCIDKYVBJQCW-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409348183 1072558799 /nfs/dbraw/zinc/55/87/99/1072558799.db2.gz RXFWJPDZTZQKPH-LPYMAVHISA-N 0 0 685.392 7.122 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409140484 1072559569 /nfs/dbraw/zinc/55/95/69/1072559569.db2.gz DYSNIVMQYDLZPU-ONUIUJJFSA-N 0 0 548.690 5.283 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409347885 1072560660 /nfs/dbraw/zinc/56/06/60/1072560660.db2.gz NIVFIZVDKKUGJS-NKVSQWTQSA-N 0 0 578.411 7.017 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409139976 1072561517 /nfs/dbraw/zinc/56/15/17/1072561517.db2.gz GTVYFHJNBCKAME-MFKUBSTISA-N 0 0 596.130 5.919 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)c1 ZINC000409347744 1072561532 /nfs/dbraw/zinc/56/15/32/1072561532.db2.gz MQHZNEGCZABNKK-CFRMEGHHSA-N 0 0 507.105 7.471 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)cc2)cc1C ZINC000409347431 1072563332 /nfs/dbraw/zinc/56/33/32/1072563332.db2.gz QAEMBDWOXZJBOV-YUMHPJSZSA-N 0 0 603.563 7.642 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409347505 1072563848 /nfs/dbraw/zinc/56/38/48/1072563848.db2.gz QFPPHCQUCTWAQQ-MYYYXRDXSA-N 0 0 503.624 5.901 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409138620 1072568909 /nfs/dbraw/zinc/56/89/09/1072568909.db2.gz FNWIOOSXCHWESA-ROTLSHHCSA-N 0 0 583.960 7.516 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409138502 1072569855 /nfs/dbraw/zinc/56/98/55/1072569855.db2.gz CTOJKQLSTCXYQW-DHJMFLCTSA-N 0 0 541.536 6.395 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)S1)c1ccccc1 ZINC000409138180 1072571320 /nfs/dbraw/zinc/57/13/20/1072571320.db2.gz YPRFIPIESPMTSO-NDENLUEZSA-N 0 0 700.723 6.529 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409366912 1072573010 /nfs/dbraw/zinc/57/30/10/1072573010.db2.gz XFVSJLWVGRXYOG-XKZIYDEJSA-N 0 0 533.071 5.154 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409147277 1072576753 /nfs/dbraw/zinc/57/67/53/1072576753.db2.gz YBNIWOAYZZMWJG-VXLYETTFSA-N 0 0 534.402 6.016 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409147228 1072577595 /nfs/dbraw/zinc/57/75/95/1072577595.db2.gz XBYDRFNBXVFAIQ-VULFUBBASA-N 0 0 654.170 5.967 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409365640 1072578915 /nfs/dbraw/zinc/57/89/15/1072578915.db2.gz VGJIUWVFONRKEL-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409146784 1072580593 /nfs/dbraw/zinc/58/05/93/1072580593.db2.gz VDKDGTOVEHRYMG-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1 ZINC000409145979 1072584078 /nfs/dbraw/zinc/58/40/78/1072584078.db2.gz PIPYFELLKJBLAV-OEAKJJBVSA-N 0 0 509.052 6.082 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)c(Cl)c1 ZINC000409145974 1072584120 /nfs/dbraw/zinc/58/41/20/1072584120.db2.gz RAYDFMCVDIJCOJ-CIAFOILYSA-N 0 0 746.817 6.983 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N(CC)CC)c21 ZINC000409145848 1072585123 /nfs/dbraw/zinc/58/51/23/1072585123.db2.gz SEIRMVGZEADESM-IWIPYMOSSA-N 0 0 521.708 5.482 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2)cc1C ZINC000409145378 1072587500 /nfs/dbraw/zinc/58/75/00/1072587500.db2.gz ODUJVDYUYZBZGV-RPPGKUMJSA-N 0 0 654.652 6.532 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409145243 1072588383 /nfs/dbraw/zinc/58/83/83/1072588383.db2.gz NQGQRRKUTFMAPC-KIBLKLHPSA-N 0 0 743.516 8.025 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409145298 1072588883 /nfs/dbraw/zinc/58/88/83/1072588883.db2.gz NKLHEAXOGVJCKR-JVWAILMASA-N 0 0 668.034 8.088 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCC ZINC000409145292 1072588895 /nfs/dbraw/zinc/58/88/95/1072588895.db2.gz OAJHZOUYPNJRCN-WOJGMQOQSA-N 0 0 602.903 5.597 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1Cl ZINC000409145145 1072589883 /nfs/dbraw/zinc/58/98/83/1072589883.db2.gz MWTCHRFIKNXZRV-MFOYZWKCSA-N 0 0 559.880 5.443 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409157187 1072591086 /nfs/dbraw/zinc/59/10/86/1072591086.db2.gz UXNDKPSNAQZUOS-UAVUOLJFSA-N 0 0 567.257 8.448 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409157236 1072591561 /nfs/dbraw/zinc/59/15/61/1072591561.db2.gz ICWGOOOGHYUZHW-KYTVRQNUSA-N 0 0 555.856 7.733 40 10 KKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)N2 ZINC000409156714 1072594787 /nfs/dbraw/zinc/59/47/87/1072594787.db2.gz OYABXWPYGATENA-YPBQGGFRSA-N 0 0 623.758 8.610 40 10 KKCBRN COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409155913 1072597541 /nfs/dbraw/zinc/59/75/41/1072597541.db2.gz RVHQAPXBLOCYLW-WOVHNISZSA-N 0 0 569.883 8.042 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409155415 1072599389 /nfs/dbraw/zinc/59/93/89/1072599389.db2.gz IPZZEGZQRBOUCH-KSEXSDGBSA-N 0 0 528.461 6.693 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154227 1072608288 /nfs/dbraw/zinc/60/82/88/1072608288.db2.gz OALHFKICHKWZCV-XFAGBWLFSA-N 0 0 610.173 8.933 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409359509 1072614040 /nfs/dbraw/zinc/61/40/40/1072614040.db2.gz OVJQIFYRTMICKD-IGXVRLBYSA-N 0 0 527.654 6.244 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409152905 1072615816 /nfs/dbraw/zinc/61/58/16/1072615816.db2.gz KFIZDNFVAOWSDW-YYULODDRSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152921 1072616432 /nfs/dbraw/zinc/61/64/32/1072616432.db2.gz KKHUDBKTDDEERL-OJLQRUNKSA-N 0 0 610.719 8.732 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccccc3)C2=O)ccc1Cl ZINC000409152033 1072621910 /nfs/dbraw/zinc/62/19/10/1072621910.db2.gz JGBWECSNIUMIFF-UXHLAJHPSA-N 0 0 650.197 7.397 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000409373652 1072624753 /nfs/dbraw/zinc/62/47/53/1072624753.db2.gz YFWXZVWDBCQWAQ-AWQFTUOYSA-N 0 0 706.240 8.174 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409376938 1072626761 /nfs/dbraw/zinc/62/67/61/1072626761.db2.gz CGIXKUOQAPFXOI-UHFFFAOYSA-N 0 0 626.463 6.059 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@H]21 ZINC000409150338 1072629464 /nfs/dbraw/zinc/62/94/64/1072629464.db2.gz BMISHMKXFAJKLD-OSWQYVSFSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409150334 1072629536 /nfs/dbraw/zinc/62/95/36/1072629536.db2.gz BMISHMKXFAJKLD-MPCDZSKCSA-N 0 0 606.300 8.087 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409149863 1072631953 /nfs/dbraw/zinc/63/19/53/1072631953.db2.gz SOVILZGDMMIHDT-LPYMAVHISA-N 0 0 650.947 6.387 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409374705 1072634828 /nfs/dbraw/zinc/63/48/28/1072634828.db2.gz XEMMSYJYPOKZOC-YDZHTSKRSA-N 0 0 508.043 6.348 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409149481 1072635654 /nfs/dbraw/zinc/63/56/54/1072635654.db2.gz HLHBXNHNWYGEEE-FOKLQQMPSA-N 0 0 733.864 8.084 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)S1)c1ccccc1 ZINC000409148773 1072640520 /nfs/dbraw/zinc/64/05/20/1072640520.db2.gz RMNBXOSUVKRNHS-BKUYFWCQSA-N 0 0 511.372 5.568 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409372996 1072643524 /nfs/dbraw/zinc/64/35/24/1072643524.db2.gz RPACAUWRILSJEE-FSJBWODESA-N 0 0 608.956 7.562 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000409372655 1072644527 /nfs/dbraw/zinc/64/45/27/1072644527.db2.gz ORWYPNCGMORVGI-ZDLGFXPLSA-N 0 0 508.383 6.330 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)S1)c1ccccc1 ZINC000409147996 1072644885 /nfs/dbraw/zinc/64/48/85/1072644885.db2.gz OAEXXGCIWNSYPX-XYGWBWBKSA-N 0 0 543.442 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409371941 1072647095 /nfs/dbraw/zinc/64/70/95/1072647095.db2.gz KAVIYXSAPIZUTB-SSDVNMTOSA-N 0 0 605.481 6.427 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409371516 1072648675 /nfs/dbraw/zinc/64/86/75/1072648675.db2.gz KKPKAKZDWNXQGY-UFFVCSGVSA-N 0 0 718.276 8.044 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccccc1F ZINC000409371382 1072649235 /nfs/dbraw/zinc/64/92/35/1072649235.db2.gz WFNRORIJWBGOMO-UHFFFAOYSA-N 0 0 569.976 6.080 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409371289 1072650232 /nfs/dbraw/zinc/65/02/32/1072650232.db2.gz HRSOSRNSWKNCJS-OPEKNORGSA-N 0 0 602.609 7.798 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S ZINC000409371174 1072651207 /nfs/dbraw/zinc/65/12/07/1072651207.db2.gz GQFMYXPPJZKYFB-CIAFOILYSA-N 0 0 530.458 6.510 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S ZINC000409370826 1072651850 /nfs/dbraw/zinc/65/18/50/1072651850.db2.gz ULCNKGMEHWQEEU-FRKPEAEDSA-N 0 0 570.842 6.306 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409370854 1072652334 /nfs/dbraw/zinc/65/23/34/1072652334.db2.gz FBUGWUXZEYWGJA-UUYOSTAYSA-N 0 0 603.509 5.957 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409370653 1072652889 /nfs/dbraw/zinc/65/28/89/1072652889.db2.gz CSCKQFKXCCQULY-DNTJNYDQSA-N 0 0 708.321 8.413 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000409165572 1072654545 /nfs/dbraw/zinc/65/45/45/1072654545.db2.gz ZQWUPBIKAVHBBW-FYJGNVAPSA-N 0 0 510.413 5.532 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000409369802 1072656817 /nfs/dbraw/zinc/65/68/17/1072656817.db2.gz YFGADGSTZIOGCA-CHHVJCJISA-N 0 0 518.831 5.689 40 10 KKCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409369784 1072656878 /nfs/dbraw/zinc/65/68/78/1072656878.db2.gz XHBJWYYUIJPKDK-CFRMEGHHSA-N 0 0 601.968 7.896 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409164623 1072657839 /nfs/dbraw/zinc/65/78/39/1072657839.db2.gz LDKKHKNFKJGAJK-RWPZCVJISA-N 0 0 628.578 7.492 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409369090 1072660945 /nfs/dbraw/zinc/66/09/45/1072660945.db2.gz BGEQQRGMDZJYRW-VULFUBBASA-N 0 0 659.617 7.471 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409369036 1072660962 /nfs/dbraw/zinc/66/09/62/1072660962.db2.gz YNXKHGPBCCJVSH-DHRITJCHSA-N 0 0 689.440 8.435 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409164028 1072661142 /nfs/dbraw/zinc/66/11/42/1072661142.db2.gz BIBBWAGCDMQIBG-NKVSQWTQSA-N 0 0 534.852 6.729 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000409368582 1072663035 /nfs/dbraw/zinc/66/30/35/1072663035.db2.gz CSZBOVBKSRJRBK-UDWIEESQSA-N 0 0 516.431 6.724 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S ZINC000409368598 1072663751 /nfs/dbraw/zinc/66/37/51/1072663751.db2.gz DGWJNLKNGSEXPC-KSEXSDGBSA-N 0 0 598.493 6.843 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409368681 1072664353 /nfs/dbraw/zinc/66/43/53/1072664353.db2.gz HRNBZHRROQHJMM-ZVBGSRNCSA-N 0 0 659.451 7.659 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000409368281 1072664921 /nfs/dbraw/zinc/66/49/21/1072664921.db2.gz WTZZLLJZPGGVKW-NSIKDUERSA-N 0 0 503.776 5.493 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 ZINC000409163238 1072666043 /nfs/dbraw/zinc/66/60/43/1072666043.db2.gz NYOUWURUOWGQOS-JJFYIABZSA-N 0 0 530.433 6.085 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409368233 1072666114 /nfs/dbraw/zinc/66/61/14/1072666114.db2.gz VBJDKDREZUTQAV-LSFURLLWSA-N 0 0 629.374 7.826 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409162562 1072668508 /nfs/dbraw/zinc/66/85/08/1072668508.db2.gz XEXGGTBWBYPHFL-AQHIEDMUSA-N 0 0 560.572 6.850 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S ZINC000409367614 1072669382 /nfs/dbraw/zinc/66/93/82/1072669382.db2.gz BOODTIJLIJNBFP-HYARGMPZSA-N 0 0 560.484 6.389 40 10 KKCBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409367655 1072669982 /nfs/dbraw/zinc/66/99/82/1072669982.db2.gz CSDLGXGLRGYONH-RQZCQDPDSA-N 0 0 561.310 6.483 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409161395 1072676664 /nfs/dbraw/zinc/67/66/64/1072676664.db2.gz UMNKSZVWRYDGTA-MHPIHPPYSA-N 0 0 531.277 8.170 40 10 KKCBRN O=C1[C@@H](Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409161678 1072676734 /nfs/dbraw/zinc/67/67/34/1072676734.db2.gz OUCJMPQCNCDUJU-OAQYLSRUSA-N 0 0 613.343 7.040 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409161235 1072679307 /nfs/dbraw/zinc/67/93/07/1072679307.db2.gz LCUIWTVKWQKOTL-KKMKTNMSSA-N 0 0 684.678 6.541 40 10 KKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409160525 1072681970 /nfs/dbraw/zinc/68/19/70/1072681970.db2.gz QYLXSOHDNVOUEY-IOKPGSKQSA-N 0 0 603.340 8.265 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409386849 1072684051 /nfs/dbraw/zinc/68/40/51/1072684051.db2.gz NVZHSOXNRLVVHB-GRSHGNNSSA-N 0 0 523.430 5.556 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409158656 1072692504 /nfs/dbraw/zinc/69/25/04/1072692504.db2.gz PDQNDZSRWAVXTR-KCYKTTMJSA-N 0 0 576.274 8.078 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409157552 1072698700 /nfs/dbraw/zinc/69/87/00/1072698700.db2.gz MXCGAPCVBNOTPE-DYLHXGEVSA-N 0 0 590.301 8.387 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409167025 1072701113 /nfs/dbraw/zinc/70/11/13/1072701113.db2.gz HXQWUAVERQNIHT-RGVLZGJSSA-N 0 0 517.754 5.449 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166732 1072702804 /nfs/dbraw/zinc/70/28/04/1072702804.db2.gz FSMOQXSXTKPDKV-OJLQRUNKSA-N 0 0 628.163 9.072 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409166271 1072704619 /nfs/dbraw/zinc/70/46/19/1072704619.db2.gz CMNWAFZHQGQGLW-DYLHXGEVSA-N 0 0 545.304 8.478 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)SC1=S ZINC000409382954 1072704588 /nfs/dbraw/zinc/70/45/88/1072704588.db2.gz PMNMHCKOXZHMRL-SXGWCWSVSA-N 0 0 547.721 6.665 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)c(Cl)c1 ZINC000409381628 1072710689 /nfs/dbraw/zinc/71/06/89/1072710689.db2.gz IGBIYXUDNICQJC-BNCCVWRVSA-N 0 0 525.822 5.608 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409176228 1072712104 /nfs/dbraw/zinc/71/21/04/1072712104.db2.gz ZAVRPLDWSXLHJN-BFIDETRKSA-N 0 0 600.167 9.477 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F ZINC000409380753 1072716452 /nfs/dbraw/zinc/71/64/52/1072716452.db2.gz HRGUMTPHQIZGEJ-UHFFFAOYSA-N 0 0 614.427 6.189 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409175277 1072716971 /nfs/dbraw/zinc/71/69/71/1072716971.db2.gz ZQNAXUGNUGQKIH-UZINWLIJSA-N 0 0 510.859 7.825 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@@H]1CC=C[C@@H]21 ZINC000409175169 1072717903 /nfs/dbraw/zinc/71/79/03/1072717903.db2.gz QYPZYMSSAOSPRH-QJMRKGMQSA-N 0 0 571.855 7.433 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409175168 1072717960 /nfs/dbraw/zinc/71/79/60/1072717960.db2.gz QYPZYMSSAOSPRH-FUMQJTLXSA-N 0 0 571.855 7.433 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409173765 1072726379 /nfs/dbraw/zinc/72/63/79/1072726379.db2.gz ROTSDWBXCSLPOR-JVWAILMASA-N 0 0 515.972 6.563 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409173462 1072728146 /nfs/dbraw/zinc/72/81/46/1072728146.db2.gz NPHYCKUHKYZQPN-YZSQISJMSA-N 0 0 575.712 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409172429 1072733734 /nfs/dbraw/zinc/73/37/34/1072733734.db2.gz HWRRYLJHQFWTJW-HMAPJEAMSA-N 0 0 587.492 6.112 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409171624 1072738192 /nfs/dbraw/zinc/73/81/92/1072738192.db2.gz BGGKBKKCIKTZLT-ZVBGSRNCSA-N 0 0 584.956 7.613 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409388195 1072738854 /nfs/dbraw/zinc/73/88/54/1072738854.db2.gz UVZXLORLAUBPNV-FZPRHHONSA-N 0 0 605.804 7.183 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409170653 1072744178 /nfs/dbraw/zinc/74/41/78/1072744178.db2.gz WBYODJMUYOUHBS-YPCDYVTLSA-N 0 0 555.856 7.733 40 10 KKCBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)ccc1Cl ZINC000409170523 1072744755 /nfs/dbraw/zinc/74/47/55/1072744755.db2.gz WDJJKOHWYXTVDV-ZMOGYAJESA-N 0 0 586.497 6.643 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)o1 ZINC000409399064 1072750994 /nfs/dbraw/zinc/75/09/94/1072750994.db2.gz HMPYXCUZXVUTMQ-YSMPRRRNSA-N 0 0 560.006 5.799 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409167736 1072758913 /nfs/dbraw/zinc/75/89/13/1072758913.db2.gz JWFQSVCXQZWRGZ-IECBHUPTSA-N 0 0 541.829 7.425 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409167536 1072759487 /nfs/dbraw/zinc/75/94/87/1072759487.db2.gz IZUNMKMQFQXLSY-ZYLNGJIFSA-N 0 0 537.410 6.780 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(CC)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186226 1072762343 /nfs/dbraw/zinc/76/23/43/1072762343.db2.gz ZDLVXAOHUFSXSR-ZIZKQOANSA-N 0 0 614.771 7.054 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186267 1072762659 /nfs/dbraw/zinc/76/26/59/1072762659.db2.gz ZRUWFUKVVHMPSJ-YCYBFXTKSA-N 0 0 737.695 8.389 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186076 1072763348 /nfs/dbraw/zinc/76/33/48/1072763348.db2.gz WFIDWURKBOHFIZ-VAVQAEMGSA-N 0 0 715.847 8.197 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185941 1072764918 /nfs/dbraw/zinc/76/49/18/1072764918.db2.gz SYAHBPMSLLOVEH-VOAHUVEESA-N 0 0 775.031 9.955 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185967 1072765402 /nfs/dbraw/zinc/76/54/02/1072765402.db2.gz UAZAWEQIBYEDJA-MASHFGSSSA-N 0 0 836.035 10.382 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185965 1072765458 /nfs/dbraw/zinc/76/54/58/1072765458.db2.gz UAJVRLYRRGCXNJ-RYGXSHQMSA-N 0 0 667.831 7.967 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186011 1072765993 /nfs/dbraw/zinc/76/59/93/1072765993.db2.gz UZHMLQPGNYAVMN-KRJBTMGSSA-N 0 0 757.139 9.619 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185788 1072766810 /nfs/dbraw/zinc/76/68/10/1072766810.db2.gz QCDSLNNIZSVEPS-HVPHOBGISA-N 0 0 878.616 9.579 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185819 1072766861 /nfs/dbraw/zinc/76/68/61/1072766861.db2.gz QPGBMJONCPSKKZ-SOSGBDQYSA-N 0 0 712.872 7.582 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185842 1072767122 /nfs/dbraw/zinc/76/71/22/1072767122.db2.gz REVGRYYPPXVDKN-GXKDRIIESA-N 0 0 750.292 8.850 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185851 1072767133 /nfs/dbraw/zinc/76/71/33/1072767133.db2.gz RIATWOCJCPLTCU-BSPUBTSWSA-N 0 0 854.561 7.389 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185769 1072769391 /nfs/dbraw/zinc/76/93/91/1072769391.db2.gz PUPGNZCDVVDCEI-GXKDRIIESA-N 0 0 811.198 9.473 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185572 1072770282 /nfs/dbraw/zinc/77/02/82/1072770282.db2.gz MQZUGYSPIFYPBF-DKDMBQFYSA-N 0 0 872.623 9.334 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185608 1072770756 /nfs/dbraw/zinc/77/07/56/1072770756.db2.gz NHJPYEHQYNOSPG-AXZDJKFNSA-N 0 0 844.171 8.925 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185458 1072771157 /nfs/dbraw/zinc/77/11/57/1072771157.db2.gz LQEUEBAPQHUCRO-SGGJARQASA-N 0 0 676.842 8.083 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185477 1072771693 /nfs/dbraw/zinc/77/16/93/1072771693.db2.gz LTTRIXWWOJTZMG-AMMKBXEKSA-N 0 0 656.602 6.851 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185126 1072772547 /nfs/dbraw/zinc/77/25/47/1072772547.db2.gz JMXJDCMEFXEBMS-RAJJVIMISA-N 0 0 745.732 9.390 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185128 1072772595 /nfs/dbraw/zinc/77/25/95/1072772595.db2.gz JNLZOGHYKPBMCR-IOSUBWPCSA-N 0 0 872.623 9.334 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)o1 ZINC000409403038 1072772664 /nfs/dbraw/zinc/77/26/64/1072772664.db2.gz YIWHCLLWHDJHMT-QQXSKIMKSA-N 0 0 525.561 5.146 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184910 1072773085 /nfs/dbraw/zinc/77/30/85/1072773085.db2.gz IMFZLJIFAFLQKJ-HETIYKEESA-N 0 0 742.854 7.966 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184618 1072774881 /nfs/dbraw/zinc/77/48/81/1072774881.db2.gz HLFIHVBANLIRQU-MFWYCIKYSA-N 0 0 632.605 6.904 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184611 1072774907 /nfs/dbraw/zinc/77/49/07/1072774907.db2.gz HIQBQQNAPSIXKS-QRTRUADLSA-N 0 0 733.890 8.821 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184878 1072774931 /nfs/dbraw/zinc/77/49/31/1072774931.db2.gz IJWBWJHFSBGYNT-RQBSVBTHSA-N 0 0 848.590 9.570 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184523 1072776389 /nfs/dbraw/zinc/77/63/89/1072776389.db2.gz GYAYRXKMUGIDEH-YPDGVYQTSA-N 0 0 631.729 7.479 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184583 1072776784 /nfs/dbraw/zinc/77/67/84/1072776784.db2.gz YHIKGBVGASIGCZ-RQBSVBTHSA-N 0 0 984.492 9.631 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cccc(O)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183808 1072780873 /nfs/dbraw/zinc/78/08/73/1072780873.db2.gz DOYSSWXHMDMZNY-ZEKVDEEJSA-N 0 0 563.679 5.785 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183673 1072782297 /nfs/dbraw/zinc/78/22/97/1072782297.db2.gz CXQWXEPOXUFNQJ-RQBSVBTHSA-N 0 0 829.586 9.323 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183326 1072783898 /nfs/dbraw/zinc/78/38/98/1072783898.db2.gz RONZNMHCBHNEHV-JCHDAMBDSA-N 0 0 684.862 7.886 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183260 1072785769 /nfs/dbraw/zinc/78/57/69/1072785769.db2.gz BCFGAXYYVKWJBY-YPDGVYQTSA-N 0 0 648.184 7.993 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183039 1072786221 /nfs/dbraw/zinc/78/62/21/1072786221.db2.gz AAVPJNDUYBDVMZ-WWXXKSMJSA-N 0 0 908.656 10.179 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183062 1072786231 /nfs/dbraw/zinc/78/62/31/1072786231.db2.gz AAZFNHFIBZMESW-PHBIEMHDSA-N 0 0 762.726 8.430 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182857 1072787243 /nfs/dbraw/zinc/78/72/43/1072787243.db2.gz OTJQMWFEJRTTAJ-ISMPAJQOSA-N 0 0 811.596 9.184 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409182904 1072787279 /nfs/dbraw/zinc/78/72/79/1072787279.db2.gz PICVXJAEDQLUNB-DJKKODMXSA-N 0 0 517.947 5.989 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409181606 1072797091 /nfs/dbraw/zinc/79/70/91/1072797091.db2.gz DESRRBACELMZHM-LPYMAVHISA-N 0 0 589.573 6.351 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181443 1072797413 /nfs/dbraw/zinc/79/74/13/1072797413.db2.gz AGSNXPXADPZKOM-OJBQBBGCSA-N 0 0 761.682 7.482 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409193232 1072824222 /nfs/dbraw/zinc/82/42/22/1072824222.db2.gz FXGUGLLARWIVOM-MFKUBSTISA-N 0 0 553.547 7.280 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000409197120 1072827559 /nfs/dbraw/zinc/82/75/59/1072827559.db2.gz WMQDHVHMYCBLDG-NDENLUEZSA-N 0 0 504.416 6.836 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1 ZINC000409197107 1072827619 /nfs/dbraw/zinc/82/76/19/1072827619.db2.gz VZSFVJMNIUSIPV-WSDLNYQXSA-N 0 0 557.480 6.503 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409196784 1072829453 /nfs/dbraw/zinc/82/94/53/1072829453.db2.gz YVPVJLZLLRTNHC-CIAFOILYSA-N 0 0 533.900 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409196465 1072831091 /nfs/dbraw/zinc/83/10/91/1072831091.db2.gz WDVAPNUYSZIDPX-UUYOSTAYSA-N 0 0 623.363 7.734 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S ZINC000409195724 1072834806 /nfs/dbraw/zinc/83/48/06/1072834806.db2.gz KLVHHYXSDRLHPX-VCHYOVAHSA-N 0 0 504.387 5.573 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409195288 1072837134 /nfs/dbraw/zinc/83/71/34/1072837134.db2.gz HBOJOPCPRNOCTR-HYARGMPZSA-N 0 0 533.587 5.105 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409195377 1072837672 /nfs/dbraw/zinc/83/76/72/1072837672.db2.gz IDJSUSNTQPELGO-YDZHTSKRSA-N 0 0 571.474 6.741 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S ZINC000409195241 1072838622 /nfs/dbraw/zinc/83/86/22/1072838622.db2.gz NTZAZHNAVYXGQK-UDWIEESQSA-N 0 0 672.351 6.431 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409194475 1072843519 /nfs/dbraw/zinc/84/35/19/1072843519.db2.gz MBLKPWLYJVKSPD-CIAFOILYSA-N 0 0 527.421 6.342 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409194341 1072844596 /nfs/dbraw/zinc/84/45/96/1072844596.db2.gz KECIOYWPPSNUFW-VCHYOVAHSA-N 0 0 544.801 7.787 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409193842 1072847441 /nfs/dbraw/zinc/84/74/41/1072847441.db2.gz FWTUYOKGKMRHKS-OYKKKHCWSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)ccc1Cl ZINC000409193876 1072847655 /nfs/dbraw/zinc/84/76/55/1072847655.db2.gz GTBXRDJIPGULQD-DEDYPNTBSA-N 0 0 512.996 5.323 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409192802 1072853207 /nfs/dbraw/zinc/85/32/07/1072853207.db2.gz BJVQSJORKMWMLG-RGVLZGJSSA-N 0 0 515.410 6.640 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000409192774 1072854764 /nfs/dbraw/zinc/85/47/64/1072854764.db2.gz AWANORRGTMLUAF-NDENLUEZSA-N 0 0 504.416 6.836 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409207130 1072886708 /nfs/dbraw/zinc/88/67/08/1072886708.db2.gz SDPSYGAYHUTIEG-WSDLNYQXSA-N 0 0 641.474 7.612 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2)cc1 ZINC000409207147 1072886719 /nfs/dbraw/zinc/88/67/19/1072886719.db2.gz PQRQVNSSNSJKPS-HYARGMPZSA-N 0 0 506.580 5.335 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc(Br)c1 ZINC000409207191 1072887356 /nfs/dbraw/zinc/88/73/56/1072887356.db2.gz QGZLKYFOOZHBNG-KEBDBYFISA-N 0 0 734.216 7.643 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409205420 1072898443 /nfs/dbraw/zinc/89/84/43/1072898443.db2.gz IIWWEKZQMZPEEA-HYARGMPZSA-N 0 0 590.508 6.225 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409205235 1072899059 /nfs/dbraw/zinc/89/90/59/1072899059.db2.gz OVTNYUXBWOMSQO-VYYCAZPPSA-N 0 0 529.061 8.041 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCCOc2ccccc2)SC(=S)N1c1cccc(Br)c1 ZINC000409205123 1072900391 /nfs/dbraw/zinc/90/03/91/1072900391.db2.gz MDRXWGNPOICEBQ-PXLXIMEGSA-N 0 0 512.450 6.313 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409204844 1072902531 /nfs/dbraw/zinc/90/25/31/1072902531.db2.gz KEDJYDYITAEIAD-YVNNLAQVSA-N 0 0 547.441 6.895 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204640 1072903081 /nfs/dbraw/zinc/90/30/81/1072903081.db2.gz CEOHJBOUEURLLX-OEAKJJBVSA-N 0 0 587.504 6.901 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409204546 1072904210 /nfs/dbraw/zinc/90/42/10/1072904210.db2.gz IMUMTVZPHSLYBT-BRJLIKDPSA-N 0 0 622.437 8.587 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409201032 1072919495 /nfs/dbraw/zinc/91/94/95/1072919495.db2.gz UNNWERLCKWGXDK-CVKSISIWSA-N 0 0 655.433 8.748 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000409198544 1072929398 /nfs/dbraw/zinc/92/93/98/1072929398.db2.gz HSOITMYGKPVWQE-UDWIEESQSA-N 0 0 548.867 6.945 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409198530 1072929467 /nfs/dbraw/zinc/92/94/67/1072929467.db2.gz HGUXSYWNDQKAGJ-LPYMAVHISA-N 0 0 533.502 6.927 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409197386 1072936048 /nfs/dbraw/zinc/93/60/48/1072936048.db2.gz DICZOZQIJPHMSO-MYYYXRDXSA-N 0 0 535.691 5.792 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409207701 1072940813 /nfs/dbraw/zinc/94/08/13/1072940813.db2.gz XTJMQPJOYJWOEO-OEAKJJBVSA-N 0 0 509.609 5.528 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409207359 1072943183 /nfs/dbraw/zinc/94/31/83/1072943183.db2.gz SSRZHGIQHSACAI-MTJSOVHGSA-N 0 0 527.421 6.342 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409216737 1072944525 /nfs/dbraw/zinc/94/45/25/1072944525.db2.gz KYXHLGFUWKVXMI-YZSQISJMSA-N 0 0 611.699 5.957 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409212512 1072958997 /nfs/dbraw/zinc/95/89/97/1072958997.db2.gz MUYVUZLUWVVLER-OGLMXYFKSA-N 0 0 538.579 5.344 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409226221 1072974541 /nfs/dbraw/zinc/97/45/41/1072974541.db2.gz PWUHPCBJXDNVTD-KBKYJPHKSA-N 0 0 636.960 7.886 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409224334 1072983421 /nfs/dbraw/zinc/98/34/21/1072983421.db2.gz KQRVOUSMHONEHC-JFLMPSFJSA-N 0 0 588.642 5.378 40 10 KKCBRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409223365 1072988451 /nfs/dbraw/zinc/98/84/51/1072988451.db2.gz FLXHUOHGXCAZKL-ZMOGYAJESA-N 0 0 515.462 7.426 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)ccc1Br ZINC000409221586 1072997358 /nfs/dbraw/zinc/99/73/58/1072997358.db2.gz SLBSZEIEVBNBDZ-BEXDPUPVSA-N 0 0 567.530 6.737 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409221001 1073000969 /nfs/dbraw/zinc/00/09/69/1073000969.db2.gz JCUNPFJEBCCREY-QRVIBDJDSA-N 0 0 573.523 7.124 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409221095 1073001384 /nfs/dbraw/zinc/00/13/84/1073001384.db2.gz KTPIPDFYMAGYKD-UCQKPKSFSA-N 0 0 573.067 6.310 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409220940 1073002291 /nfs/dbraw/zinc/00/22/91/1073002291.db2.gz IBYAQKMQXHWZPW-YXSASFKJSA-N 0 0 584.333 7.724 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1 ZINC000409220502 1073004856 /nfs/dbraw/zinc/00/48/56/1073004856.db2.gz ASYOOQQPFLOOHO-MFKUBSTISA-N 0 0 503.624 5.901 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409218553 1073012254 /nfs/dbraw/zinc/01/22/54/1073012254.db2.gz FXHHEKKUTXKCFV-UHFFFAOYSA-N 0 0 610.066 6.648 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409229608 1073019178 /nfs/dbraw/zinc/01/91/78/1073019178.db2.gz RUYPJMCFNWHGHX-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409229492 1073020117 /nfs/dbraw/zinc/02/01/17/1073020117.db2.gz PXODXVSMJYNZEY-MSXFZWOLSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C2=O)cc1 ZINC000409229060 1073023265 /nfs/dbraw/zinc/02/32/65/1073023265.db2.gz JEADJPZDOHDTHR-STBIYBPSSA-N 0 0 602.112 7.010 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409229126 1073023974 /nfs/dbraw/zinc/02/39/74/1073023974.db2.gz KCQGASSILZLFIT-SRZZPIQSSA-N 0 0 591.858 6.027 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409229093 1073024000 /nfs/dbraw/zinc/02/40/00/1073024000.db2.gz JRNYWZYJMMKPBF-IMRQLAEWSA-N 0 0 556.640 7.041 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409228959 1073024917 /nfs/dbraw/zinc/02/49/17/1073024917.db2.gz HRRKSOJVJYUILS-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409228578 1073025934 /nfs/dbraw/zinc/02/59/34/1073025934.db2.gz ZLFLBSOUONLYGI-VEILYXNESA-N 0 0 587.122 7.864 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409236436 1073037537 /nfs/dbraw/zinc/03/75/37/1073037537.db2.gz GEFFGXGNCAKHHX-YOBACFSGSA-N 0 0 577.049 7.339 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409236535 1073038430 /nfs/dbraw/zinc/03/84/30/1073038430.db2.gz SRHSOGBRFMSJQP-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Br ZINC000409236125 1073040912 /nfs/dbraw/zinc/04/09/12/1073040912.db2.gz REHOSFPFBRLXLO-XDHOZWIPSA-N 0 0 522.852 5.624 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409235486 1073044099 /nfs/dbraw/zinc/04/40/99/1073044099.db2.gz BMTJUKBXDPKYTB-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2OCC)cc1 ZINC000409235173 1073045516 /nfs/dbraw/zinc/04/55/16/1073045516.db2.gz BGHUAMJXXMCJOA-PKAZHMFMSA-N 0 0 562.713 6.524 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409234676 1073049619 /nfs/dbraw/zinc/04/96/19/1073049619.db2.gz OWBLWRGOHVRGSC-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409234137 1073051550 /nfs/dbraw/zinc/05/15/50/1073051550.db2.gz MEUPYFBBOJQLLS-IMRQLAEWSA-N 0 0 573.095 7.556 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409233974 1073052556 /nfs/dbraw/zinc/05/25/56/1073052556.db2.gz IXHJAFJMNJYUNC-QFEZKATASA-N 0 0 553.105 6.643 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409233251 1073056537 /nfs/dbraw/zinc/05/65/37/1073056537.db2.gz UJRZFQVXJKGSNU-DICXZTSXSA-N 0 0 576.696 5.795 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000409233187 1073057389 /nfs/dbraw/zinc/05/73/89/1073057389.db2.gz RQSPFVCTUHRRJR-GRSHGNNSSA-N 0 0 569.930 6.048 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409232728 1073059539 /nfs/dbraw/zinc/05/95/39/1073059539.db2.gz PCACONBKBXHNHC-MYKKPKGFSA-N 0 0 569.060 5.496 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409232217 1073061666 /nfs/dbraw/zinc/06/16/66/1073061666.db2.gz PBTCHVLVMBPXSQ-NHDPSOOVSA-N 0 0 549.888 7.070 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)SC1=S ZINC000409231446 1073066382 /nfs/dbraw/zinc/06/63/82/1073066382.db2.gz JCRFOQYZEUQDFH-ODLFYWEKSA-N 0 0 549.512 5.622 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409231157 1073067186 /nfs/dbraw/zinc/06/71/86/1073067186.db2.gz HZCKQAFBEZWVEJ-BDFPJNNISA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409247083 1073072895 /nfs/dbraw/zinc/07/28/95/1073072895.db2.gz BCATVIKVILSXRE-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409247091 1073073029 /nfs/dbraw/zinc/07/30/29/1073073029.db2.gz BSOWFEWWBVMCHH-NWUVQHAMSA-N 0 0 560.741 6.990 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409246767 1073074716 /nfs/dbraw/zinc/07/47/16/1073074716.db2.gz DGEWWJMHQXHCFZ-HAHDFKILSA-N 0 0 573.523 6.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409246689 1073074748 /nfs/dbraw/zinc/07/47/48/1073074748.db2.gz AJGQKRTUSNWUGI-QRVIBDJDSA-N 0 0 557.093 6.367 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)SC1=S ZINC000409246642 1073076548 /nfs/dbraw/zinc/07/65/48/1073076548.db2.gz KAWRCXUFECLTKW-MOSHPQCFSA-N 0 0 579.538 5.330 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)SC2=S)cc1 ZINC000409246444 1073076939 /nfs/dbraw/zinc/07/69/39/1073076939.db2.gz IMGQMXAJRJQFGG-XYGWBWBKSA-N 0 0 569.104 6.561 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409246310 1073077642 /nfs/dbraw/zinc/07/76/42/1073077642.db2.gz AVTDJLSPXUOHKX-HAHDFKILSA-N 0 0 555.077 6.171 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409245847 1073080677 /nfs/dbraw/zinc/08/06/77/1073080677.db2.gz ZVSFWAFNDRELNH-IWIPYMOSSA-N 0 0 588.629 6.536 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409244867 1073087117 /nfs/dbraw/zinc/08/71/17/1073087117.db2.gz JXAWVCHKFYKROI-SSDVNMTOSA-N 0 0 514.434 6.384 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)c(OC)c3)SC2=S)cc1 ZINC000409244638 1073087189 /nfs/dbraw/zinc/08/71/89/1073087189.db2.gz GQTXCCCMYXHUNX-IWIPYMOSSA-N 0 0 572.630 6.700 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409244689 1073087652 /nfs/dbraw/zinc/08/76/52/1073087652.db2.gz HGUTYOBWXKQLTC-UFFVCSGVSA-N 0 0 519.823 6.886 40 10 KKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409244501 1073088014 /nfs/dbraw/zinc/08/80/14/1073088014.db2.gz DQCKPTFCRMJBBE-YZSQISJMSA-N 0 0 517.651 6.120 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409244413 1073088806 /nfs/dbraw/zinc/08/88/06/1073088806.db2.gz CHUGKDRBFOIEDD-HMAPJEAMSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409244154 1073090573 /nfs/dbraw/zinc/09/05/73/1073090573.db2.gz YQVBULRVSGEBNE-BKUYFWCQSA-N 0 0 589.920 6.534 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409243667 1073092140 /nfs/dbraw/zinc/09/21/40/1073092140.db2.gz ZKPBPTJWEBVZEW-YVNNLAQVSA-N 0 0 563.915 7.379 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2OCC)cc1 ZINC000409242043 1073098576 /nfs/dbraw/zinc/09/85/76/1073098576.db2.gz UCHMCYKURNFCRL-XYGWBWBKSA-N 0 0 569.104 6.561 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409242037 1073098651 /nfs/dbraw/zinc/09/86/51/1073098651.db2.gz UBHUXZOTQOTBEC-MQKZQLNTSA-N 0 0 587.550 7.372 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409241657 1073101254 /nfs/dbraw/zinc/10/12/54/1073101254.db2.gz LFJJGQBJHMUINN-BUVRLJJBSA-N 0 0 505.596 5.176 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409241524 1073101752 /nfs/dbraw/zinc/10/17/52/1073101752.db2.gz OCPCHPGELSSYGR-MYYYXRDXSA-N 0 0 567.132 7.087 40 10 KKCBRN O=C1C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409240922 1073105206 /nfs/dbraw/zinc/10/52/06/1073105206.db2.gz VKWPRONLEBZARW-UHFFFAOYSA-N 0 0 515.544 6.412 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409240573 1073107245 /nfs/dbraw/zinc/10/72/45/1073107245.db2.gz UOEDUKNLVVIOOX-ROTLSHHCSA-N 0 0 583.087 5.805 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409240406 1073107796 /nfs/dbraw/zinc/10/77/96/1073107796.db2.gz KMVODFGMSFKPML-SRZZPIQSSA-N 0 0 510.959 5.331 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409240473 1073108296 /nfs/dbraw/zinc/10/82/96/1073108296.db2.gz UBAPMIJQWRBTQY-LSHDLFTRSA-N 0 0 509.971 5.151 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409240239 1073108943 /nfs/dbraw/zinc/10/89/43/1073108943.db2.gz PCPCNIZBQLXUPM-QFEZKATASA-N 0 0 567.132 7.006 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)SC1=S ZINC000409240055 1073111449 /nfs/dbraw/zinc/11/14/49/1073111449.db2.gz ODUOBEZNZSLGRM-NDENLUEZSA-N 0 0 549.512 5.703 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409239649 1073112405 /nfs/dbraw/zinc/11/24/05/1073112405.db2.gz HZBHENXXUMOUHG-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409239063 1073116873 /nfs/dbraw/zinc/11/68/73/1073116873.db2.gz GBXKCBGVIPMCLI-XKZIYDEJSA-N 0 0 559.496 6.734 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1Cl ZINC000409238463 1073120904 /nfs/dbraw/zinc/12/09/04/1073120904.db2.gz AELKFMWFYYEGCP-FMCGGJTJSA-N 0 0 587.948 7.143 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251274 1073129950 /nfs/dbraw/zinc/12/99/50/1073129950.db2.gz PEATUUGNKJNJQK-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409251321 1073130016 /nfs/dbraw/zinc/13/00/16/1073130016.db2.gz PKSYQUCTKVXFEA-MYYYXRDXSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409251004 1073132226 /nfs/dbraw/zinc/13/22/26/1073132226.db2.gz ZJIJOMXHCPCEEW-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409250975 1073132372 /nfs/dbraw/zinc/13/23/72/1073132372.db2.gz ZEBZDSJKSSQQNQ-JJFYIABZSA-N 0 0 563.459 6.564 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409250685 1073133883 /nfs/dbraw/zinc/13/38/83/1073133883.db2.gz MLNKQBXZFOCBOH-UVHMKAGCSA-N 0 0 652.129 6.095 40 10 KKCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409250086 1073138056 /nfs/dbraw/zinc/13/80/56/1073138056.db2.gz VZWOVKUFYRHEKF-UXHLAJHPSA-N 0 0 566.633 5.906 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409249871 1073138651 /nfs/dbraw/zinc/13/86/51/1073138651.db2.gz IYCCOKCTEFHUDB-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409249858 1073140222 /nfs/dbraw/zinc/14/02/22/1073140222.db2.gz MARAFCZGPTWPKR-HMAPJEAMSA-N 0 0 569.502 6.189 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)SC2=S)cc1 ZINC000409248676 1073147595 /nfs/dbraw/zinc/14/75/95/1073147595.db2.gz HXHDRKUNDASROD-MYYYXRDXSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000409248350 1073149278 /nfs/dbraw/zinc/14/92/78/1073149278.db2.gz QBEGGEPUTXZERW-HAHDFKILSA-N 0 0 555.077 6.171 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409248396 1073149674 /nfs/dbraw/zinc/14/96/74/1073149674.db2.gz GCTKNGHRFHLTEN-AIRTYWKNSA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(OCC)cc4)C3=O)cc2OCC)cc1 ZINC000409247794 1073153033 /nfs/dbraw/zinc/15/30/33/1073153033.db2.gz NYBJJDWQBVPRPV-IMRQLAEWSA-N 0 0 578.712 6.306 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409247573 1073153401 /nfs/dbraw/zinc/15/34/01/1073153401.db2.gz IJFXXYJOCQJBMG-ODLFYWEKSA-N 0 0 582.485 5.235 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409247626 1073153666 /nfs/dbraw/zinc/15/36/66/1073153666.db2.gz DWFSNFWQTYYOGT-UCQKPKSFSA-N 0 0 583.529 6.498 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409247609 1073153721 /nfs/dbraw/zinc/15/37/21/1073153721.db2.gz DOXJVKJTTOWIBZ-WGARJPEWSA-N 0 0 578.668 5.242 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409247352 1073154806 /nfs/dbraw/zinc/15/48/06/1073154806.db2.gz NDKMYACHXQPOJB-JJFYIABZSA-N 0 0 563.484 6.404 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409247360 1073154827 /nfs/dbraw/zinc/15/48/27/1073154827.db2.gz NFVDWEMUMJHDKB-CFRMEGHHSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409247351 1073154856 /nfs/dbraw/zinc/15/48/56/1073154856.db2.gz NCVRTYNLCCBEEB-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN Cc1ccccc1NC(=O)COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409257203 1073156996 /nfs/dbraw/zinc/15/69/96/1073156996.db2.gz OYOVJCWQQMOJKG-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409257083 1073158275 /nfs/dbraw/zinc/15/82/75/1073158275.db2.gz NWZNVYVZJPGQBH-RIRGPFDCSA-N 0 0 546.714 6.682 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409256953 1073159015 /nfs/dbraw/zinc/15/90/15/1073159015.db2.gz OKTJTXGGVMPOER-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409256336 1073161470 /nfs/dbraw/zinc/16/14/70/1073161470.db2.gz NTYGWUPPSFGOCH-CFKHXJFWSA-N 0 0 526.680 5.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409256352 1073161473 /nfs/dbraw/zinc/16/14/73/1073161473.db2.gz OAUONWDQQFQPOM-ONUIUJJFSA-N 0 0 532.687 5.773 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409256273 1073162777 /nfs/dbraw/zinc/16/27/77/1073162777.db2.gz KQBOTSDOUGOYMX-HMAPJEAMSA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409255726 1073165290 /nfs/dbraw/zinc/16/52/90/1073165290.db2.gz ILCMNJBUXLQZDE-ONUIUJJFSA-N 0 0 532.687 6.379 40 10 KKCBRN O=C(COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1Cl ZINC000409255765 1073165366 /nfs/dbraw/zinc/16/53/66/1073165366.db2.gz IRYHMZZNILTPPX-UHFFFAOYSA-N 0 0 551.986 5.941 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c3)SC2=S)cc1 ZINC000409255654 1073166672 /nfs/dbraw/zinc/16/66/72/1073166672.db2.gz IDPQTOIDHUZTKI-QRVIBDJDSA-N 0 0 527.042 6.465 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409254899 1073169563 /nfs/dbraw/zinc/16/95/63/1073169563.db2.gz YHOUYGAYCKJDOI-UHFFFAOYSA-N 0 0 721.935 6.944 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409254697 1073169903 /nfs/dbraw/zinc/16/99/03/1073169903.db2.gz YCGWHCIILIFMPE-ZJVWCJDDSA-N 0 0 526.680 5.100 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000409254809 1073170937 /nfs/dbraw/zinc/17/09/37/1073170937.db2.gz GCIQIBAFZFOCAL-VPBNWZFVSA-N 0 0 532.687 6.238 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254619 1073171715 /nfs/dbraw/zinc/17/17/15/1073171715.db2.gz IGNNOROUMUDSOK-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000409254460 1073172830 /nfs/dbraw/zinc/17/28/30/1073172830.db2.gz IPPPMUBXRTTXJJ-IWIPYMOSSA-N 0 0 522.623 5.820 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409254468 1073173045 /nfs/dbraw/zinc/17/30/45/1073173045.db2.gz DLCYUFOFQKGEQA-FMCGGJTJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1ccc(NC(=O)COc2c(Br)cc(/C=C3\SC(=S)N(CC)C3=O)cc2OC)cc1 ZINC000409254261 1073173729 /nfs/dbraw/zinc/17/37/29/1073173729.db2.gz WLMZUVQYUKIDMY-UNOMPAQXSA-N 0 0 551.484 5.095 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409254271 1073173903 /nfs/dbraw/zinc/17/39/03/1073173903.db2.gz WNCDYJNXCUHSQS-NKVSQWTQSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2OC)cc1 ZINC000409253854 1073177600 /nfs/dbraw/zinc/17/76/00/1073177600.db2.gz HAQDRVKRFGNHBB-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253572 1073179682 /nfs/dbraw/zinc/17/96/82/1073179682.db2.gz XAEHWWKUHYIYMD-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000409253434 1073181146 /nfs/dbraw/zinc/18/11/46/1073181146.db2.gz BSMGDQJSUSVEOZ-XHFXOGKZSA-N 0 0 523.079 6.628 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)c(C)c1 ZINC000409253063 1073184084 /nfs/dbraw/zinc/18/40/84/1073184084.db2.gz YNJPJNRVAKTJAS-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c(C)c1 ZINC000409252816 1073184214 /nfs/dbraw/zinc/18/42/14/1073184214.db2.gz DZJYYKNCZIUHFB-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409252742 1073186138 /nfs/dbraw/zinc/18/61/38/1073186138.db2.gz SOUWNUNGYFHFRE-BKUYFWCQSA-N 0 0 515.443 6.417 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409252589 1073186665 /nfs/dbraw/zinc/18/66/65/1073186665.db2.gz STWODRGXEDMUBX-QFEZKATASA-N 0 0 553.105 6.148 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409252572 1073186738 /nfs/dbraw/zinc/18/67/38/1073186738.db2.gz CKKZFUMVTWPSPW-XKZIYDEJSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139417 1073186916 /nfs/dbraw/zinc/18/69/16/1073186916.db2.gz PSGVPLZQSJBVTM-WXVAWEFUSA-N 0 0 691.774 5.898 40 10 KKCBRN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139416 1073186945 /nfs/dbraw/zinc/18/69/45/1073186945.db2.gz PSGVPLZQSJBVTM-CUNXSJBXSA-N 0 0 691.774 5.898 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409252074 1073189208 /nfs/dbraw/zinc/18/92/08/1073189208.db2.gz RZSOUFAPYFVGNW-NHDPSOOVSA-N 0 0 533.433 6.556 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)SC1=S ZINC000409251977 1073190015 /nfs/dbraw/zinc/19/00/15/1073190015.db2.gz ATRBIJCBOUFVDH-STZFKDTASA-N 0 0 538.613 6.123 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)SC2=S)cc1 ZINC000409251713 1073192272 /nfs/dbraw/zinc/19/22/72/1073192272.db2.gz VVWSSSWDTDGSSD-HAHDFKILSA-N 0 0 553.503 6.435 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)NCc1ccccc1 ZINC000409251477 1073192636 /nfs/dbraw/zinc/19/26/36/1073192636.db2.gz QLYBQNVMYPBQPE-XKZIYDEJSA-N 0 0 528.577 5.806 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409262532 1073193916 /nfs/dbraw/zinc/19/39/16/1073193916.db2.gz FSKDEGWWTKVVQC-UHFFFAOYSA-N 0 0 715.544 6.908 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)SC2=S)cc1 ZINC000409262945 1073195301 /nfs/dbraw/zinc/19/53/01/1073195301.db2.gz JQZAWUJJNACYTC-IWIPYMOSSA-N 0 0 518.660 6.044 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409266727 1073199672 /nfs/dbraw/zinc/19/96/72/1073199672.db2.gz XZGRCKPHRAYSCK-UCQKPKSFSA-N 0 0 543.497 6.979 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409266655 1073201514 /nfs/dbraw/zinc/20/15/14/1073201514.db2.gz KSYGGXNRNZYSIR-DIBXZPPDSA-N 0 0 546.714 6.109 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1Cl ZINC000033861702 1073203484 /nfs/dbraw/zinc/20/34/84/1073203484.db2.gz WVHTVYYKMQNSDH-HZHRSRAPSA-N 0 0 512.100 6.981 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409266155 1073203602 /nfs/dbraw/zinc/20/36/02/1073203602.db2.gz POLZBELUALJHQG-HAHDFKILSA-N 0 0 543.497 6.455 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409266015 1073204389 /nfs/dbraw/zinc/20/43/89/1073204389.db2.gz JCDWXVLZSHCUDH-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409266032 1073204852 /nfs/dbraw/zinc/20/48/52/1073204852.db2.gz VUXGUTQXXLWHOO-IWIPYMOSSA-N 0 0 522.623 5.956 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)SC1=S ZINC000409265848 1073205341 /nfs/dbraw/zinc/20/53/41/1073205341.db2.gz WFNKQNDVBFHGHK-MOSHPQCFSA-N 0 0 535.485 5.013 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409265659 1073205558 /nfs/dbraw/zinc/20/55/58/1073205558.db2.gz NJSPRWZKXCJQBJ-QQXSKIMKSA-N 0 0 546.714 6.742 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409265463 1073207500 /nfs/dbraw/zinc/20/75/00/1073207500.db2.gz VBGJTHFMBKILCZ-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000033715518 1073207817 /nfs/dbraw/zinc/20/78/17/1073207817.db2.gz URGQQEXQUAKHBV-LSPPGFKNSA-N 0 0 507.059 6.294 40 10 KKCBRN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000033910393 1073208484 /nfs/dbraw/zinc/20/84/84/1073208484.db2.gz WIFFOIICTJPNAX-JJIBRWJFSA-N 0 0 526.127 7.373 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccccc1C(F)(F)F ZINC000409264651 1073210984 /nfs/dbraw/zinc/21/09/84/1073210984.db2.gz QRFDHTRXCIHUSW-KQWNVCNZSA-N 0 0 542.604 6.167 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)cc1 ZINC000409264523 1073211662 /nfs/dbraw/zinc/21/16/62/1073211662.db2.gz LVBBXJHXAOFFLZ-UCQKPKSFSA-N 0 0 524.620 5.106 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409264159 1073214783 /nfs/dbraw/zinc/21/47/83/1073214783.db2.gz PKIKGYSCSYJVOA-WQRHYEAKSA-N 0 0 521.458 5.005 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409263907 1073215183 /nfs/dbraw/zinc/21/51/83/1073215183.db2.gz CUNXKWPOZIZUDW-ZBKNUEDVSA-N 0 0 525.479 6.019 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)c(C)c1 ZINC000409264009 1073215516 /nfs/dbraw/zinc/21/55/16/1073215516.db2.gz KCFZZCKTFCPQFJ-RMORIDSASA-N 0 0 543.497 7.034 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)SC1=S ZINC000409263878 1073216242 /nfs/dbraw/zinc/21/62/42/1073216242.db2.gz CPHQVTRGACBDGW-WQRHYEAKSA-N 0 0 511.452 5.631 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409263639 1073216561 /nfs/dbraw/zinc/21/65/61/1073216561.db2.gz LUHKUEPEXZVDED-XYGWBWBKSA-N 0 0 536.650 6.210 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000409263474 1073217418 /nfs/dbraw/zinc/21/74/18/1073217418.db2.gz MVTOSTUXHOBCIO-IWIPYMOSSA-N 0 0 539.078 5.840 40 10 KKCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409263585 1073217628 /nfs/dbraw/zinc/21/76/28/1073217628.db2.gz HZGLMMCOQZZMIZ-ZDLGFXPLSA-N 0 0 514.978 5.988 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409263205 1073218908 /nfs/dbraw/zinc/21/89/08/1073218908.db2.gz IHCXXUYIBFRZEE-BKUYFWCQSA-N 0 0 545.469 6.425 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)Nc1ccccc1 ZINC000409263119 1073220024 /nfs/dbraw/zinc/22/00/24/1073220024.db2.gz HDWMJEFMOHCPQY-DIBXZPPDSA-N 0 0 538.650 6.902 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S ZINC000409262718 1073220039 /nfs/dbraw/zinc/22/00/39/1073220039.db2.gz GOLBAESEKHKDJV-WQRHYEAKSA-N 0 0 521.458 5.005 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)c(C)c1 ZINC000409261760 1073225275 /nfs/dbraw/zinc/22/52/75/1073225275.db2.gz DHJSTZVXTQUCMJ-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S ZINC000409261390 1073228388 /nfs/dbraw/zinc/22/83/88/1073228388.db2.gz BHWTYLHWXFAJJE-YVNNLAQVSA-N 0 0 529.470 6.725 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409261046 1073229917 /nfs/dbraw/zinc/22/99/17/1073229917.db2.gz AKSZTDKYQYNFLT-JAIQZWGSSA-N 0 0 539.506 6.329 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409261087 1073230381 /nfs/dbraw/zinc/23/03/81/1073230381.db2.gz BAJRJPQOPQRFRY-UHFFFAOYSA-N 0 0 589.648 6.303 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409260739 1073231866 /nfs/dbraw/zinc/23/18/66/1073231866.db2.gz VOPWAHRWZDOSCO-OYKKKHCWSA-N 0 0 522.623 5.874 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409260762 1073231921 /nfs/dbraw/zinc/23/19/21/1073231921.db2.gz VVOOUEYHTHBVRM-MYYYXRDXSA-N 0 0 532.687 6.352 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409260499 1073234117 /nfs/dbraw/zinc/23/41/17/1073234117.db2.gz RARLTNYZDIPDDW-CFRMEGHHSA-N 0 0 539.078 6.389 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409260374 1073234994 /nfs/dbraw/zinc/23/49/94/1073234994.db2.gz PMPJNKPUYBUAPJ-XKZIYDEJSA-N 0 0 543.041 6.219 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409260005 1073236558 /nfs/dbraw/zinc/23/65/58/1073236558.db2.gz JBPKTIUHEJQVCQ-JJUBJSHISA-N 0 0 533.071 5.136 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409259738 1073238317 /nfs/dbraw/zinc/23/83/17/1073238317.db2.gz DPEYUIDJJVBXAN-UHFFFAOYSA-N 0 0 668.544 7.066 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409258769 1073244681 /nfs/dbraw/zinc/24/46/81/1073244681.db2.gz VHQFKHDHZLYHDO-NAHYFOQLSA-N 0 0 536.650 6.204 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S ZINC000409258607 1073245480 /nfs/dbraw/zinc/24/54/80/1073245480.db2.gz VPIJWTCAJQJOKR-PDGQHHTCSA-N 0 0 511.452 5.249 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)SC2=S)cc1 ZINC000409258409 1073245886 /nfs/dbraw/zinc/24/58/86/1073245886.db2.gz UWXCBSMWCXFOHW-BKUYFWCQSA-N 0 0 529.470 6.725 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409258255 1073246840 /nfs/dbraw/zinc/24/68/40/1073246840.db2.gz SGEUVKSEQASOEU-XKZIYDEJSA-N 0 0 545.469 6.425 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccccc1 ZINC000409258296 1073247195 /nfs/dbraw/zinc/24/71/95/1073247195.db2.gz VXZIBZPFQYEODN-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 ZINC000409257847 1073249554 /nfs/dbraw/zinc/24/95/54/1073249554.db2.gz QRRILKQWMXAUTG-UCQKPKSFSA-N 0 0 524.595 5.266 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409257688 1073250367 /nfs/dbraw/zinc/25/03/67/1073250367.db2.gz RUVDVKMQDGFOIT-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409257734 1073250864 /nfs/dbraw/zinc/25/08/64/1073250864.db2.gz PWKWEXTWFPRKJA-ONUIUJJFSA-N 0 0 548.686 5.555 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)c1 ZINC000409257513 1073251277 /nfs/dbraw/zinc/25/12/77/1073251277.db2.gz SDWCEYMTXALGBV-XKZIYDEJSA-N 0 0 528.577 6.437 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)cc1Cl ZINC000409272659 1073252525 /nfs/dbraw/zinc/25/25/25/1073252525.db2.gz RIGOJVIZZDCUAI-YNJLWJOVSA-N 0 0 523.079 6.628 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1 ZINC000409272435 1073255381 /nfs/dbraw/zinc/25/53/81/1073255381.db2.gz QGUYXEPZFZKIDH-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409271943 1073258847 /nfs/dbraw/zinc/25/88/47/1073258847.db2.gz WNKBHZAMDPTDNG-IWIPYMOSSA-N 0 0 522.648 5.660 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409271816 1073259993 /nfs/dbraw/zinc/25/99/93/1073259993.db2.gz NKLUWQPUYRQIKV-PAEMTNLTSA-N 0 0 547.098 5.445 40 10 KKCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)c1 ZINC000409271833 1073260044 /nfs/dbraw/zinc/26/00/44/1073260044.db2.gz NSWWRLYBCZVQDP-MXAYSNPKSA-N 0 0 532.643 5.451 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409271494 1073262295 /nfs/dbraw/zinc/26/22/95/1073262295.db2.gz LNXPERABZRBLEH-OYKKKHCWSA-N 0 0 539.078 6.470 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409271346 1073263721 /nfs/dbraw/zinc/26/37/21/1073263721.db2.gz BPQYRFCXIHRZHZ-NKVSQWTQSA-N 0 0 535.494 6.066 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409270706 1073269367 /nfs/dbraw/zinc/26/93/67/1073269367.db2.gz HIESOLKEOKAMSF-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409270353 1073270995 /nfs/dbraw/zinc/27/09/95/1073270995.db2.gz DNPOTDHQIWOVLP-ODLFYWEKSA-N 0 0 521.458 5.005 40 10 KKCBRN Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2)ccc1Br ZINC000409270430 1073271354 /nfs/dbraw/zinc/27/13/54/1073271354.db2.gz FWKGDCYFDCZNGO-MTJSOVHGSA-N 0 0 543.464 5.769 40 10 KKCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409269635 1073275695 /nfs/dbraw/zinc/27/56/95/1073275695.db2.gz KZBSYDMRDDDXDX-AUWJEWJLSA-N 0 0 548.267 5.271 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409269135 1073280910 /nfs/dbraw/zinc/28/09/10/1073280910.db2.gz FULOZOSKPASDSS-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000409268702 1073281620 /nfs/dbraw/zinc/28/16/20/1073281620.db2.gz XXFDNPYMSWCXKS-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409268567 1073282833 /nfs/dbraw/zinc/28/28/33/1073282833.db2.gz VXRNZBYAJGKXST-XOASYVKCSA-N 0 0 546.714 6.682 40 10 KKCBRN Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)ccc1Br ZINC000409268684 1073283233 /nfs/dbraw/zinc/28/32/33/1073283233.db2.gz XMQPZGACLKJKML-VFAFIFLJSA-N 0 0 547.496 5.155 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)SC2=S)cc1 ZINC000409268679 1073283240 /nfs/dbraw/zinc/28/32/40/1073283240.db2.gz XKRACDZANYUPHO-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409267829 1073286960 /nfs/dbraw/zinc/28/69/60/1073286960.db2.gz WMEPKOOTZDKLTG-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409267947 1073287518 /nfs/dbraw/zinc/28/75/18/1073287518.db2.gz YFGUAXPAJCSKLW-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)SC2=S)cc1 ZINC000409267680 1073287554 /nfs/dbraw/zinc/28/75/54/1073287554.db2.gz WYXBHNSKHRXDOE-HAHDFKILSA-N 0 0 524.067 5.829 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409275041 1073303939 /nfs/dbraw/zinc/30/39/39/1073303939.db2.gz HMLPPFSXPVNLTK-MXAYSNPKSA-N 0 0 550.467 7.229 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409274963 1073304734 /nfs/dbraw/zinc/30/47/34/1073304734.db2.gz RNGLTRATQLAZKE-MXAYSNPKSA-N 0 0 561.918 8.313 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1Cl ZINC000409273661 1073318602 /nfs/dbraw/zinc/31/86/02/1073318602.db2.gz ZVHVMQKAKVXPCL-OYKKKHCWSA-N 0 0 538.094 6.138 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409273299 1073334401 /nfs/dbraw/zinc/33/44/01/1073334401.db2.gz WZBVLCBZQCRHOT-NDENLUEZSA-N 0 0 522.570 5.121 40 10 KKCBRN Cc1cc([N+](=O)[N-]c2ccc(N=Nc3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100369095 193905335 /nfs/dbraw/zinc/90/53/35/193905335.db2.gz AVUIPABGYIFKBE-VNUQPCLPSA-N 0 0 524.588 11.167 40 10 KKCBRN O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000059488075 193901764 /nfs/dbraw/zinc/90/17/64/193901764.db2.gz IWLZLZQMWNTWMZ-UHFFFAOYSA-N 0 0 512.591 5.333 40 10 KKCBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(N=Nc3ccccc3)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059398079 193896647 /nfs/dbraw/zinc/89/66/47/193896647.db2.gz NNRAEFCSIGBPQI-OOBPFOKNSA-N 0 0 500.514 5.887 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc(Cl)cc1 ZINC000059418238 193897457 /nfs/dbraw/zinc/89/74/57/193897457.db2.gz JPNWNJBFBJMLCS-LPYMAVHISA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502191 193949323 /nfs/dbraw/zinc/94/93/23/193949323.db2.gz YCMHHHOQYLGKJF-IZZNHLLZSA-N 0 0 578.492 6.346 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000225547949 193978126 /nfs/dbraw/zinc/97/81/26/193978126.db2.gz QXJADVDPMIVAST-IHLOFXLRSA-N 0 0 523.706 6.053 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225549331 193978835 /nfs/dbraw/zinc/97/88/35/193978835.db2.gz WPUYWPFZQSALSW-IHLOFXLRSA-N 0 0 558.151 6.706 40 10 KKCBRN Cc1c(Br)c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408850416 195488004 /nfs/dbraw/zinc/48/80/04/195488004.db2.gz NIWREUBMAZKNPZ-UHFFFAOYSA-N 0 0 619.313 7.203 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000408851342 195490469 /nfs/dbraw/zinc/49/04/69/195490469.db2.gz BPOKMAOTWAUIIK-WGOQTCKBSA-N 0 0 569.079 5.325 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409051359 195501876 /nfs/dbraw/zinc/50/18/76/195501876.db2.gz COBSJZUSLFMNCT-QRVIBDJDSA-N 0 0 619.400 7.509 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409231754 195508106 /nfs/dbraw/zinc/50/81/06/195508106.db2.gz MAGMIBIQXDVDPI-RMORIDSASA-N 0 0 573.479 6.141 40 10 KKCBRN Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409232544 195510034 /nfs/dbraw/zinc/51/00/34/195510034.db2.gz QWDTYOLZHQMMTK-UUYOSTAYSA-N 0 0 563.022 7.091 40 10 KKCBRN COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)c1 ZINC000000920559 551574311 /nfs/dbraw/zinc/57/43/11/551574311.db2.gz BUFYCXTTXHZWDI-UHFFFAOYSA-N 0 0 548.640 5.693 40 10 KKCBRN COc1ccc(CCNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1OC ZINC000001355902 551647936 /nfs/dbraw/zinc/64/79/36/551647936.db2.gz MHAPHSXFBGIJIC-UHFFFAOYSA-N 0 0 512.031 5.313 40 10 KKCBRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001889476 551726097 /nfs/dbraw/zinc/72/60/97/551726097.db2.gz YNZXYAGQELAHPO-NHDPSOOVSA-N 0 0 550.967 7.252 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000002301526 551808102 /nfs/dbraw/zinc/80/81/02/551808102.db2.gz YUXKHSOWYOXPSB-UDWIEESQSA-N 0 0 514.097 5.926 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002997268 552251802 /nfs/dbraw/zinc/25/18/02/552251802.db2.gz YTSHDTOHWCWDNK-GTWFGUSFSA-N 0 0 581.616 5.143 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002997266 552251852 /nfs/dbraw/zinc/25/18/52/552251852.db2.gz YTSHDTOHWCWDNK-SJJVXOANSA-N 0 0 581.616 5.143 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000003991828 552425157 /nfs/dbraw/zinc/42/51/57/552425157.db2.gz HSOZMTASDNSERI-XLNZFTOWSA-N 0 0 549.412 7.095 40 10 KKCBRN Nc1c(S/C=C/Sc2ccc3c(c2N)C(=O)c2ccccc2C3=O)ccc2c1C(=O)c1ccccc1C2=O ZINC000004235307 552451582 /nfs/dbraw/zinc/45/15/82/552451582.db2.gz KXJOFXMEAGZUTD-BUHFOSPRSA-N 0 0 534.618 5.757 40 10 KKCBRN O=C(Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000004265988 552454846 /nfs/dbraw/zinc/45/48/46/552454846.db2.gz YAKANVSRYQGGCI-ATXIYDNESA-N 0 0 524.584 9.022 40 10 KKCBRN O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000005833007 552510397 /nfs/dbraw/zinc/51/03/97/552510397.db2.gz PRUOUANBINANJR-JEIPZWNWSA-N 0 0 564.989 7.863 40 10 KKCBRN Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(N(C)C)c3c2cccc3N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000006245633 552574129 /nfs/dbraw/zinc/57/41/29/552574129.db2.gz ILMSBTFKVYLTOO-QFIPXVFZSA-N 0 0 514.906 5.670 40 10 KKCBRN O=C(CCc1ccccc1)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000006446124 552588400 /nfs/dbraw/zinc/58/84/00/552588400.db2.gz SEJFJRNDJNHHKM-MWDFCAMCSA-N 0 0 534.900 6.834 40 10 KKCBRN CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000008652838 553107774 /nfs/dbraw/zinc/10/77/74/553107774.db2.gz AWGCIRNDWWXCLV-NLRVBDNBSA-N 0 0 512.569 5.332 40 10 KKCBRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(/C=C(\c3ccccc3)[S@@](=O)Cc3ccccc3)C2=O)cc1 ZINC000008665191 553109319 /nfs/dbraw/zinc/10/93/19/553109319.db2.gz LPMKRNYJQBZTKX-KSJIQHMKSA-N 0 0 518.685 5.794 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000008819454 553154073 /nfs/dbraw/zinc/15/40/73/553154073.db2.gz KNQSWGMHYVTMEV-PDGQHHTCSA-N 0 0 511.452 5.631 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1OC ZINC000008819475 553154235 /nfs/dbraw/zinc/15/42/35/553154235.db2.gz CABKNNBOUYBAOV-PLRJNAJWSA-N 0 0 524.708 5.167 40 10 KKCBRN NC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)sc2c1CCCC2 ZINC000008819711 553154497 /nfs/dbraw/zinc/15/44/97/553154497.db2.gz PXJGXEVRIDBEJA-CYVLTUHYSA-N 0 0 513.710 5.126 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000008819848 553154515 /nfs/dbraw/zinc/15/45/15/553154515.db2.gz ZPEPNCYLTIEGCP-ZHZULCJRSA-N 0 0 508.587 6.114 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000008819855 553154527 /nfs/dbraw/zinc/15/45/27/553154527.db2.gz DOPLKJCFEQZWFR-JAIQZWGSSA-N 0 0 509.480 6.402 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Br)C2=O)cc1 ZINC000008819857 553154538 /nfs/dbraw/zinc/15/45/38/553154538.db2.gz QTXZJEPDSJBNPM-HKWRFOASSA-N 0 0 519.486 5.858 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 ZINC000008819891 553154595 /nfs/dbraw/zinc/15/45/95/553154595.db2.gz BTLRTBHHFXFYPT-JXAWBTAJSA-N 0 0 504.703 5.146 40 10 KKCBRN CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 ZINC000008819890 553154625 /nfs/dbraw/zinc/15/46/25/553154625.db2.gz DVGMWNKCHAVGFJ-SDXDJHTJSA-N 0 0 504.703 5.290 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 ZINC000008820079 553155084 /nfs/dbraw/zinc/15/50/84/553155084.db2.gz XTZLBBKIQHICHH-MOSHPQCFSA-N 0 0 519.044 5.233 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000008820150 553155154 /nfs/dbraw/zinc/15/51/54/553155154.db2.gz RNRABONESODNJU-AQTBWJFISA-N 0 0 513.899 7.047 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008820490 553155392 /nfs/dbraw/zinc/15/53/92/553155392.db2.gz MJXVXYDOKCAEPR-DURWOYGOSA-N 0 0 510.990 6.535 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000008820562 553155577 /nfs/dbraw/zinc/15/55/77/553155577.db2.gz ZJSCJFKLHNZRJY-GEZYKDBCSA-N 0 0 501.471 6.016 40 10 KKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1 ZINC000008821774 553156072 /nfs/dbraw/zinc/15/60/72/553156072.db2.gz LJKCADKXDWKNFB-ONUIUJJFSA-N 0 0 507.055 7.353 40 10 KKCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821841 553156124 /nfs/dbraw/zinc/15/61/24/553156124.db2.gz IZQJVCZZJFUONO-PXLXIMEGSA-N 0 0 512.404 5.641 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832872 553158659 /nfs/dbraw/zinc/15/86/59/553158659.db2.gz NKEOHMIZMSXJRH-UHFFFAOYSA-N 0 0 505.939 5.866 40 10 KKCBRN Cc1ccc(C)c(OCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000008916931 553187142 /nfs/dbraw/zinc/18/71/42/553187142.db2.gz QGXDWJHZUGDBMH-JEHUDBGOSA-N 0 0 525.678 6.537 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000009009789 553199499 /nfs/dbraw/zinc/19/94/99/553199499.db2.gz GXUFLEKBUAERLH-NGDRWEMDSA-N 0 0 511.577 6.012 40 10 KKCBRN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000009015659 553200408 /nfs/dbraw/zinc/20/04/08/553200408.db2.gz YCYWKAMLJMRQDE-FRXPANAUSA-N 0 0 513.568 6.450 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009109223 553209961 /nfs/dbraw/zinc/20/99/61/553209961.db2.gz IZIAOPADRCMXMO-ZQPSKXNCSA-N 0 0 506.602 5.284 40 10 KKCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCc5ccc(C)cc5)c(OC)c4)S3)CC2)cc1 ZINC000009188194 553218045 /nfs/dbraw/zinc/21/80/45/553218045.db2.gz JLCCLFDZVAOMSS-USHMODERSA-N 0 0 529.662 5.384 40 10 KKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000009188834 553218234 /nfs/dbraw/zinc/21/82/34/553218234.db2.gz XLDGIBRGXPQJQF-USHMODERSA-N 0 0 509.652 7.772 40 10 KKCBRN CC(C)(C)c1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc(C(C)(C)C)c1O ZINC000009189252 553218325 /nfs/dbraw/zinc/21/83/25/553218325.db2.gz ZTCUEPWIGZSGJX-KQWNVCNZSA-N 0 0 512.119 6.433 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C2=N)S1 ZINC000009553914 553278778 /nfs/dbraw/zinc/27/87/78/553278778.db2.gz SMBQZCQPHAHOJF-BSMJIXEWSA-N 0 0 506.628 5.579 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)c(OCC)c3)C2=N)S1 ZINC000009730889 553302323 /nfs/dbraw/zinc/30/23/23/553302323.db2.gz PPSSYJORQCLDEE-OGOSQDPWSA-N 0 0 506.628 5.661 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000012377608 553361850 /nfs/dbraw/zinc/36/18/50/553361850.db2.gz KTHKWXWVCFLWDE-CPNJWEJPSA-N 0 0 500.070 6.084 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475228 553370637 /nfs/dbraw/zinc/37/06/37/553370637.db2.gz KBIJJJWFJDZLPU-XIFFEERXSA-N 0 0 536.720 6.038 40 10 KKCBRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025152 553435473 /nfs/dbraw/zinc/43/54/73/553435473.db2.gz CQPMQXMAYWKORI-LJAQVGFWSA-N 0 0 515.654 5.687 40 10 KKCBRN CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013509935 553467093 /nfs/dbraw/zinc/46/70/93/553467093.db2.gz LCNQTTUNWMGZQS-UHFFFAOYSA-N 0 0 530.691 5.395 40 10 KKCBRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013669106 553481280 /nfs/dbraw/zinc/48/12/80/553481280.db2.gz ZWYXECLJYGANCZ-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000013675023 553482595 /nfs/dbraw/zinc/48/25/95/553482595.db2.gz RABFCZWVRCUIBB-UHFFFAOYSA-N 0 0 512.075 5.227 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(Cl)cc2)cc1 ZINC000013675480 553482599 /nfs/dbraw/zinc/48/25/99/553482599.db2.gz GCURLHUUFXRQOS-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccc(Br)cc1-2 ZINC000015015891 553526088 /nfs/dbraw/zinc/52/60/88/553526088.db2.gz NYQYBDWUMZHQAA-OAQYLSRUSA-N 0 0 500.466 6.153 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000016038984 553552726 /nfs/dbraw/zinc/55/27/26/553552726.db2.gz OJTGUMHOECYUAW-UBFVSLLYSA-N 0 0 507.546 5.132 40 10 KKCBRN COc1ccc(N2C(=O)C(=CC3=CC(=NNc4cccc(C(F)(F)F)c4)C=CC3=O)SC2=S)cc1 ZINC000016216909 553556977 /nfs/dbraw/zinc/55/69/77/553556977.db2.gz ZDJIADVVSYCDDE-MRWZPSDUSA-N 0 0 515.538 7.241 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000016292343 553559012 /nfs/dbraw/zinc/55/90/12/553559012.db2.gz HOSVYSIBMCUERD-UCQKPKSFSA-N 0 0 510.478 6.738 40 10 KKCBRN O=C(CC(=CC(=C1SC(N2CCCCC2)=NC1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000016476496 553565709 /nfs/dbraw/zinc/56/57/09/553565709.db2.gz AZFLPJKBRZKFBM-AZHUGQJKSA-N 0 0 527.089 7.523 40 10 KKCBRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1 ZINC000016639339 553570782 /nfs/dbraw/zinc/57/07/82/553570782.db2.gz HSTRQSGILNYKHS-UHFFFAOYSA-N 0 0 516.667 6.647 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000016678635 553571898 /nfs/dbraw/zinc/57/18/98/553571898.db2.gz WVFVCCPJTVBFOC-UHFFFAOYSA-N 0 0 513.450 6.775 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(I)c4)ccc3o2)cc1 ZINC000016678605 553571944 /nfs/dbraw/zinc/57/19/44/553571944.db2.gz LJNFSDVTXSAHCO-UHFFFAOYSA-N 0 0 511.363 6.198 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1 ZINC000016678519 553571951 /nfs/dbraw/zinc/57/19/51/553571951.db2.gz VIXNKNJFNDMFAA-QRVIBDJDSA-N 0 0 519.399 5.287 40 10 KKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(C)C)cc2)cc1OC ZINC000019325569 553612978 /nfs/dbraw/zinc/61/29/78/553612978.db2.gz JVFMLGUFPFJMGP-UHFFFAOYSA-N 0 0 505.659 5.194 40 10 KKCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Cl)ccc2O)c(OC)c1 ZINC000019326070 553613460 /nfs/dbraw/zinc/61/34/60/553613460.db2.gz ZQENPEIMUSWXQB-UHFFFAOYSA-N 0 0 513.034 5.487 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 ZINC000020288466 553633347 /nfs/dbraw/zinc/63/33/47/553633347.db2.gz HYLSIVUSTQIQQB-JLPGSUDCSA-N 0 0 500.580 5.459 40 10 KKCBRN COc1ccc(C(OCC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000077302396 553661729 /nfs/dbraw/zinc/66/17/29/553661729.db2.gz KOLCGGWMOLAHCT-YLZGDECLSA-N 0 0 686.713 5.179 40 10 in-vitro KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)cc1 ZINC000083261495 553676332 /nfs/dbraw/zinc/67/63/32/553676332.db2.gz WLOHLRBPLBMRJI-MTJSOVHGSA-N 0 0 509.521 5.710 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000083312606 553676666 /nfs/dbraw/zinc/67/66/66/553676666.db2.gz BHLYLHNIVLLDHM-RGVLZGJSSA-N 0 0 511.799 6.980 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C ZINC000095832742 553713729 /nfs/dbraw/zinc/71/37/29/553713729.db2.gz LQZFGPJGXVFSTR-CUYISGLTSA-N 0 0 657.558 8.637 40 10 KKCBRN Cc1nc(N(CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ccccc43)cc2)c(C)n1N ZINC000096022738 553722651 /nfs/dbraw/zinc/72/26/51/553722651.db2.gz NEUKGUWAROXYFB-LRLYXXIMSA-N 0 0 632.787 6.687 40 10 KKCBRN O=C(c1cc2cc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1O ZINC000097949055 553799014 /nfs/dbraw/zinc/79/90/14/553799014.db2.gz UUQJQZFHDBGCTD-QFIPXVFZSA-N 0 0 635.882 8.739 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000026593251 553819723 /nfs/dbraw/zinc/81/97/23/553819723.db2.gz BEJXRLRZVIEXJU-KHOBFMNGSA-N 0 0 520.655 6.086 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000026593247 553819828 /nfs/dbraw/zinc/81/98/28/553819828.db2.gz BEJXRLRZVIEXJU-SSPAKXSXSA-N 0 0 520.655 6.086 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000026712922 553820622 /nfs/dbraw/zinc/82/06/22/553820622.db2.gz LGWGLAFWHHNENX-UEKFQANFSA-N 0 0 512.700 7.640 40 10 KKCBRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000026967404 553822811 /nfs/dbraw/zinc/82/28/11/553822811.db2.gz QFKWKKLVLPCZQF-PPTXAMABSA-N 0 0 512.480 5.563 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OCC)c3)C2=N)S1 ZINC000027833885 553836422 /nfs/dbraw/zinc/83/64/22/553836422.db2.gz YXFZDDLAKPSKAL-WZOBNIDESA-N 0 0 520.655 5.969 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097958017 553850500 /nfs/dbraw/zinc/85/05/00/553850500.db2.gz IDTKKIZFPRMEAY-HMAPJEAMSA-N 0 0 637.542 5.777 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000097958619 553856192 /nfs/dbraw/zinc/85/61/92/553856192.db2.gz OSMFZLUGTBUAAI-XMLJNWMVSA-N 0 0 575.090 6.481 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097959206 553861716 /nfs/dbraw/zinc/86/17/16/553861716.db2.gz FVEGYGNQACCXNX-HMAPJEAMSA-N 0 0 546.091 5.826 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCSc4ccc(Cl)cc4)c(OC)c3)C2=N)S1 ZINC000032109391 553862902 /nfs/dbraw/zinc/86/29/02/553862902.db2.gz JCSZOMVIOCBJPL-DBQMFKLFSA-N 0 0 515.060 5.939 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1CCOc1ccc(C2CCCCC2)cc1 ZINC000097961923 553881700 /nfs/dbraw/zinc/88/17/00/553881700.db2.gz YSPTYKFUOITICW-YNONPNSKSA-N 0 0 553.732 7.352 40 10 KKCBRN COc1ccc(CC2=NN3C(=NC(=O)/C(=C\c4ccc(OCCOc5ccc(C)cc5C)cc4)C3=N)S2)cc1OC ZINC000097964696 553900135 /nfs/dbraw/zinc/90/01/35/553900135.db2.gz IANWSIINBCSMRL-VTPCMQHDSA-N 0 0 570.671 5.640 40 10 KKCBRN Cc1cc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)ccc1Cl ZINC000097964790 553900738 /nfs/dbraw/zinc/90/07/38/553900738.db2.gz HLBCFCKAWYTEIC-UHSBVEPQSA-N 0 0 541.036 5.745 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000097964897 553901530 /nfs/dbraw/zinc/90/15/30/553901530.db2.gz QBVRQMRBEKBKTP-FCNYMASZSA-N 0 0 579.103 6.218 40 10 KKCBRN CC[C@H](C)c1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 ZINC000097964918 553901591 /nfs/dbraw/zinc/90/15/91/553901591.db2.gz QMTBOHAXQXAPTH-OXMCMZKZSA-N 0 0 541.677 6.087 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)cc1C ZINC000097964893 553901594 /nfs/dbraw/zinc/90/15/94/553901594.db2.gz MHIYBMGNMVQHJR-XTBOKZCASA-N 0 0 554.075 6.658 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000097964902 553901606 /nfs/dbraw/zinc/90/16/06/553901606.db2.gz APUZJKRIWYYYKP-CKHCIWTKSA-N 0 0 561.063 6.172 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC(=O)c1ccccc1 ZINC000097964997 553902145 /nfs/dbraw/zinc/90/21/45/553902145.db2.gz NMLBIYQYKBBLNQ-STZFKDTASA-N 0 0 540.460 6.078 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000097972367 553966814 /nfs/dbraw/zinc/96/68/14/553966814.db2.gz QFELPMNMGFNUIB-DHWZPLKBSA-N 0 0 726.693 6.715 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000033723313 553970468 /nfs/dbraw/zinc/97/04/68/553970468.db2.gz XVRIOQDMFJSLTB-MTJSOVHGSA-N 0 0 515.012 5.361 40 10 KKCBRN Clc1c(Cl)c(Cl)c(/N=N/c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl ZINC000097982985 554007007 /nfs/dbraw/zinc/00/70/07/554007007.db2.gz MCTDNFILCMRZON-WCWDXBQESA-N 0 0 526.676 10.636 40 10 KKCBRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000098001209 554051855 /nfs/dbraw/zinc/05/18/55/554051855.db2.gz SNGOSZWYRSYVQZ-UHFFFAOYSA-N 0 0 576.564 5.742 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000098002629 554053648 /nfs/dbraw/zinc/05/36/48/554053648.db2.gz ZSHLXESIJVZZBW-HPSLPFNASA-N 0 0 530.580 7.128 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)c1ccc(Br)cc1 ZINC000098002637 554053919 /nfs/dbraw/zinc/05/39/19/554053919.db2.gz HHDNBQMRWHTRDF-AOJNWGRGSA-N 0 0 567.277 7.078 40 10 KKCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(C)=NN(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000100031284 554185932 /nfs/dbraw/zinc/18/59/32/554185932.db2.gz WVHVEYIKLDUFNG-NRYMNODQSA-N 0 0 596.691 7.533 40 10 KKCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000100073820 554203124 /nfs/dbraw/zinc/20/31/24/554203124.db2.gz TXRHWOKNPCBSPR-UHFFFAOYSA-N 0 0 542.101 5.159 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000100076972 554204825 /nfs/dbraw/zinc/20/48/25/554204825.db2.gz IWURPAJFIZQCFJ-UHFFFAOYSA-N 0 0 539.701 5.921 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000100084245 554208166 /nfs/dbraw/zinc/20/81/66/554208166.db2.gz TUZNSOSXSZQDFU-UHFFFAOYSA-N 0 0 532.493 5.414 40 10 KKCBRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000100089836 554210359 /nfs/dbraw/zinc/21/03/59/554210359.db2.gz OLDRXTIRVHCZEP-UHFFFAOYSA-N 0 0 574.146 6.574 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000100104620 554220190 /nfs/dbraw/zinc/22/01/90/554220190.db2.gz VDMUVWUHDLSSRE-LPYMAVHISA-N 0 0 576.921 7.105 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000100182548 554241921 /nfs/dbraw/zinc/24/19/21/554241921.db2.gz HAEUIPOYVIBUSD-KOEQRZSOSA-N 0 0 599.481 7.292 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000100185544 554242528 /nfs/dbraw/zinc/24/25/28/554242528.db2.gz MOPHXMJVNVRHCC-JAYSWQADSA-N 0 0 566.510 5.513 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000100198615 554246405 /nfs/dbraw/zinc/24/64/05/554246405.db2.gz BXFLZSHZBYOPPB-YVLHZVERSA-N 0 0 529.396 5.239 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000100198480 554246420 /nfs/dbraw/zinc/24/64/20/554246420.db2.gz OTZSTGZXCCWPNE-CXUHLZMHSA-N 0 0 531.266 6.151 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000100226621 554253587 /nfs/dbraw/zinc/25/35/87/554253587.db2.gz BPQHLNDCVCVFEW-NLRVBDNBSA-N 0 0 554.002 7.060 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100229982 554255521 /nfs/dbraw/zinc/25/55/21/554255521.db2.gz KVCWSHZWUBWZOO-SRZZPIQSSA-N 0 0 560.275 7.540 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000100231386 554256893 /nfs/dbraw/zinc/25/68/93/554256893.db2.gz POPLJVOJOXYUQU-WSDLNYQXSA-N 0 0 550.916 8.030 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100231509 554256914 /nfs/dbraw/zinc/25/69/14/554256914.db2.gz HMXAKQSRQHAOSJ-HAHDFKILSA-N 0 0 540.504 6.828 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100231442 554256941 /nfs/dbraw/zinc/25/69/41/554256941.db2.gz IDHKNAQRSVBYRS-HMAPJEAMSA-N 0 0 528.493 6.801 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100231366 554256964 /nfs/dbraw/zinc/25/69/64/554256964.db2.gz RRFAUGGSPBHNRL-HYARGMPZSA-N 0 0 544.467 6.972 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000100238022 554259412 /nfs/dbraw/zinc/25/94/12/554259412.db2.gz AVSNKTPXICJONV-KEPJHFNWSA-N 0 0 624.590 6.301 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)SC2=S)cc1 ZINC000100241561 554260537 /nfs/dbraw/zinc/26/05/37/554260537.db2.gz FLFIOVARFBKNBL-IWIPYMOSSA-N 0 0 588.520 7.370 40 10 KKCBRN COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1Cl ZINC000100266532 554266891 /nfs/dbraw/zinc/26/68/91/554266891.db2.gz SUFKLGADAUMBNU-UMQPMDSKSA-N 0 0 581.481 6.436 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000100267082 554267395 /nfs/dbraw/zinc/26/73/95/554267395.db2.gz WIGNLXADFCKGJW-ZPTCNBJASA-N 0 0 541.073 6.133 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4cc(C)ccc4C(C)C)c(OC)c3)C2=N)S1 ZINC000100267057 554267432 /nfs/dbraw/zinc/26/74/32/554267432.db2.gz OSPGXWXVZWBCSV-ZSFPCLPKSA-N 0 0 541.073 6.267 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C(C)C)c(OCC)c3)C2=N)S1 ZINC000100267729 554267935 /nfs/dbraw/zinc/26/79/35/554267935.db2.gz RCMYLVQOYIRNBR-RJOGASPCSA-N 0 0 534.682 6.394 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cccc(Cl)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038203861 554274135 /nfs/dbraw/zinc/27/41/35/554274135.db2.gz SZZREXPBJCUKKT-IRSWHAHNSA-N 0 0 513.085 6.909 40 10 KKCBRN CC(C)Cc1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000041074299 554292059 /nfs/dbraw/zinc/29/20/59/554292059.db2.gz XRKFLZNZLXKGLA-SDQAEVJQSA-N 0 0 510.648 5.961 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000041076657 554292195 /nfs/dbraw/zinc/29/21/95/554292195.db2.gz QBHKKFQTBDDAPG-LLIKLIDUSA-N 0 0 521.671 6.508 40 10 KKCBRN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000041108461 554295183 /nfs/dbraw/zinc/29/51/83/554295183.db2.gz GGOZCGWQBLJQDG-PCHQCWAOSA-N 0 0 510.622 5.554 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000041108174 554295189 /nfs/dbraw/zinc/29/51/89/554295189.db2.gz YQBXKDOTYJQOHB-XIFKCTFISA-N 0 0 518.620 5.272 40 10 KKCBRN CCc1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccc(Cl)cc3)nc2s1 ZINC000041108252 554295246 /nfs/dbraw/zinc/29/52/46/554295246.db2.gz YCQKQWIESREFHO-SSPLUDBCSA-N 0 0 517.039 5.978 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100324983 554309229 /nfs/dbraw/zinc/30/92/29/554309229.db2.gz NQBLRPPARJIHOK-HYARGMPZSA-N 0 0 603.947 6.626 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc3c(c2)OCCO3)cc1 ZINC000100332806 554315382 /nfs/dbraw/zinc/31/53/82/554315382.db2.gz CWZVZJCPNFKBMX-MGBGTMOVSA-N 0 0 566.702 5.771 40 10 KKCBRN COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000100332880 554315391 /nfs/dbraw/zinc/31/53/91/554315391.db2.gz SLCOMVYUXPKNBW-MGBGTMOVSA-N 0 0 552.719 6.004 40 10 KKCBRN Cc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)ccc1-n1cnnn1 ZINC000100332850 554315402 /nfs/dbraw/zinc/31/54/02/554315402.db2.gz LNHHEUYBTFBDIS-XIFFEERXSA-N 0 0 590.732 5.284 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000100332890 554315418 /nfs/dbraw/zinc/31/54/18/554315418.db2.gz LOBNEPYDVZEUFI-JGCGQSQUSA-N 0 0 540.683 6.135 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000100332885 554315432 /nfs/dbraw/zinc/31/54/32/554315432.db2.gz LOBNEPYDVZEUFI-YTTGMZPUSA-N 0 0 540.683 6.135 40 10 KKCBRN COc1ccc(C2=C/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)O2)cc1 ZINC000100340905 554325204 /nfs/dbraw/zinc/32/52/04/554325204.db2.gz YNUAQXFSNIEPNG-GIJQJNRQSA-N 0 0 609.243 7.176 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100367934 554354224 /nfs/dbraw/zinc/35/42/24/554354224.db2.gz CHIGATIMTHYMHS-OVVQPSECSA-N 0 0 579.703 7.420 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1 ZINC000100382717 554363844 /nfs/dbraw/zinc/36/38/44/554363844.db2.gz VTOIBYPOFPGNGN-UHFFFAOYSA-N 0 0 543.476 6.783 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846405 554365942 /nfs/dbraw/zinc/36/59/42/554365942.db2.gz WGKFKZXDBLWRHK-FYQCMVGJSA-N 0 0 505.596 5.848 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846019 554365986 /nfs/dbraw/zinc/36/59/86/554365986.db2.gz PYKSUYGTNWGDEG-OREGWCPLSA-N 0 0 506.624 5.648 40 10 KKCBRN COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058845881 554366027 /nfs/dbraw/zinc/36/60/27/554366027.db2.gz SBRGHSKMDNKGLY-OREGWCPLSA-N 0 0 506.624 5.648 40 10 KKCBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058846338 554366067 /nfs/dbraw/zinc/36/60/67/554366067.db2.gz WXWHVZKCSHBEOI-VVZHRXSXSA-N 0 0 509.469 6.693 40 10 KKCBRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000058846786 554366537 /nfs/dbraw/zinc/36/65/37/554366537.db2.gz NOPNLZGWKXXRAR-CLCZQPDDSA-N 0 0 523.496 7.200 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847608 554366994 /nfs/dbraw/zinc/36/69/94/554366994.db2.gz DJNICYJADSJIOX-WZOHSFFVSA-N 0 0 511.987 5.884 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847669 554367025 /nfs/dbraw/zinc/36/70/25/554367025.db2.gz OGEDCFWODOBHDJ-OSWQYVSFSA-N 0 0 501.435 6.629 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847712 554367091 /nfs/dbraw/zinc/36/70/91/554367091.db2.gz CPZBHUIUOPMVGS-XLNZFTOWSA-N 0 0 505.854 7.274 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847972 554367386 /nfs/dbraw/zinc/36/73/86/554367386.db2.gz PZBPQOFRUMTOBA-ATLLOTDBSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848356 554367684 /nfs/dbraw/zinc/36/76/84/554367684.db2.gz NQHDDHGJEPXVJZ-SGIRGMQISA-N 0 0 511.441 6.085 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1Cl ZINC000058848267 554367671 /nfs/dbraw/zinc/36/76/71/554367671.db2.gz AGOHFQVNSXVQRW-VYKTZEHYSA-N 0 0 507.099 7.573 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848177 554367690 /nfs/dbraw/zinc/36/76/90/554367690.db2.gz LIMBITYKZHAWRE-CEYNDMKZSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848389 554368080 /nfs/dbraw/zinc/36/80/80/554368080.db2.gz OLFCQJYGCXGNTM-SGIRGMQISA-N 0 0 500.542 6.341 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000058848726 554368265 /nfs/dbraw/zinc/36/82/65/554368265.db2.gz JJZQYGCTROOKPU-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058848657 554368276 /nfs/dbraw/zinc/36/82/76/554368276.db2.gz WMZHUOBOOUMWKS-UZINWLIJSA-N 0 0 514.569 6.731 40 10 KKCBRN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849196 554368837 /nfs/dbraw/zinc/36/88/37/554368837.db2.gz GKMVTZCPTHRGNL-WTNLLYQRSA-N 0 0 508.643 7.415 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849542 554369062 /nfs/dbraw/zinc/36/90/62/554369062.db2.gz IQUATOLUUQWRHA-GTNJKRJXSA-N 0 0 522.623 5.348 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850099 554369806 /nfs/dbraw/zinc/36/98/06/554369806.db2.gz ZICAJIRFBYQHTI-BOCWGRARSA-N 0 0 510.615 6.254 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c(OC)c1 ZINC000058850312 554369829 /nfs/dbraw/zinc/36/98/29/554369829.db2.gz ZBCLZGLFDAKCKX-DFXHWTJYSA-N 0 0 515.006 6.124 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000058865828 554370520 /nfs/dbraw/zinc/37/05/20/554370520.db2.gz QKIZXYVTOAVJAV-UHFFFAOYSA-N 0 0 507.380 6.325 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100402280 554372632 /nfs/dbraw/zinc/37/26/32/554372632.db2.gz FONQJPQEWYNLHS-FMCGGJTJSA-N 0 0 553.086 6.490 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000100415194 554380861 /nfs/dbraw/zinc/38/08/61/554380861.db2.gz DBZWNNHYXVQSCF-UDWIEESQSA-N 0 0 585.358 7.464 40 10 KKCBRN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)c1C ZINC000059139097 554382864 /nfs/dbraw/zinc/38/28/64/554382864.db2.gz YWBXKCJJSNXYRG-NLRVBDNBSA-N 0 0 520.541 5.933 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139042 554382912 /nfs/dbraw/zinc/38/29/12/554382912.db2.gz QIHVWDPIBRUIQN-JWGURIENSA-N 0 0 517.368 7.145 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000059139070 554382918 /nfs/dbraw/zinc/38/29/18/554382918.db2.gz WTNPXXOLLXVGTN-LGUFXXKBSA-N 0 0 520.541 6.015 40 10 KKCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000059416952 554393476 /nfs/dbraw/zinc/39/34/76/554393476.db2.gz XFRGGURXGNWGHS-WOJGMQOQSA-N 0 0 500.736 6.385 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F ZINC000059418237 554393805 /nfs/dbraw/zinc/39/38/05/554393805.db2.gz HPBSTJZLRGUGBF-OEAKJJBVSA-N 0 0 510.568 6.117 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000059484880 554397835 /nfs/dbraw/zinc/39/78/35/554397835.db2.gz KPOKPKIUYWWYFE-CJLVFECKSA-N 0 0 501.369 7.038 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000059513153 554400783 /nfs/dbraw/zinc/40/07/83/554400783.db2.gz GNZYGSWWBQDIHC-AOFXREQWSA-N 0 0 527.693 6.035 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514363 554401263 /nfs/dbraw/zinc/40/12/63/554401263.db2.gz GLCKXFRFDVIKQU-PXLXIMEGSA-N 0 0 506.561 5.619 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)SC2=S)cc1 ZINC000059609077 554412182 /nfs/dbraw/zinc/41/21/82/554412182.db2.gz NPBWUVKDQWPJQJ-QRVIBDJDSA-N 0 0 555.475 6.646 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)SC2=S)cc1 ZINC000059609092 554412200 /nfs/dbraw/zinc/41/22/00/554412200.db2.gz SPXXLQYGNVOOQH-QRVIBDJDSA-N 0 0 544.923 7.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000059609074 554412204 /nfs/dbraw/zinc/41/22/04/554412204.db2.gz CFLMZKMVGOZRKD-MYYYXRDXSA-N 0 0 526.079 6.728 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 ZINC000059678130 554424055 /nfs/dbraw/zinc/42/40/55/554424055.db2.gz WLROCMJNTCDTQL-PKYOQBLNSA-N 0 0 525.649 5.010 40 10 KKCBRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000059690728 554424602 /nfs/dbraw/zinc/42/46/02/554424602.db2.gz XBAFPQPMEXWMQN-PDWGEAQMSA-N 0 0 559.445 5.602 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059888213 554470688 /nfs/dbraw/zinc/47/06/88/554470688.db2.gz GSHFMHGRGYNEDE-UHFFFAOYSA-N 0 0 590.145 6.015 40 10 KKCBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)o2)cc1 ZINC000100919955 554521048 /nfs/dbraw/zinc/52/10/48/554521048.db2.gz ABLNMYCFUQYFRF-KQWNVCNZSA-N 0 0 545.642 5.327 40 10 KKCBRN CCCOc1c(Br)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000100935577 554529068 /nfs/dbraw/zinc/52/90/68/554529068.db2.gz LYCKCBDEHUHRJM-UHFFFAOYSA-N 0 0 593.543 7.002 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(F)cc1 ZINC000100946849 554534819 /nfs/dbraw/zinc/53/48/19/554534819.db2.gz WPJGVSXDQGJABQ-OGMUYLFESA-N 0 0 531.656 5.865 40 10 KKCBRN COc1ccc(-n2c(C)cc(C(=O)CSc3nc4scc(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)cc1 ZINC000100982551 554547880 /nfs/dbraw/zinc/54/78/80/554547880.db2.gz BNTBWXJFBAZKTO-UHFFFAOYSA-N 0 0 577.731 7.505 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(I)cc1 ZINC000101002090 554552647 /nfs/dbraw/zinc/55/26/47/554552647.db2.gz HHRXSFMKAHYTQB-WJDWOHSUSA-N 0 0 573.275 5.284 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)sc2c1CCCC2 ZINC000101002198 554552664 /nfs/dbraw/zinc/55/26/64/554552664.db2.gz SDYQZMFDMMNVQL-AQTBWJFISA-N 0 0 579.563 5.796 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C)c(C)c4)C3=O)SC2=S)cc1C ZINC000101002387 554552894 /nfs/dbraw/zinc/55/28/94/554552894.db2.gz HDJDDPBKNCKTCS-WCWDXBQESA-N 0 0 612.824 5.210 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)SC1=S)Nc1cccc(F)c1 ZINC000101002456 554552935 /nfs/dbraw/zinc/55/29/35/554552935.db2.gz YXJCWNBHKACOGW-QURGRASLSA-N 0 0 620.750 5.035 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101003446 554553382 /nfs/dbraw/zinc/55/33/82/554553382.db2.gz RTGQBHYERJRORM-UCQKPKSFSA-N 0 0 539.103 6.769 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1OC ZINC000101005576 554553710 /nfs/dbraw/zinc/55/37/10/554553710.db2.gz CQQDFEWYMRPWIE-UNOMPAQXSA-N 0 0 521.458 5.086 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1OC ZINC000101006867 554554550 /nfs/dbraw/zinc/55/45/50/554554550.db2.gz GXKAEQZQXCDTQM-UQQQWYQISA-N 0 0 581.785 6.460 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000101006984 554554762 /nfs/dbraw/zinc/55/47/62/554554762.db2.gz BMJQMHLWDQZWPO-UKWGHVSLSA-N 0 0 523.463 6.122 40 10 KKCBRN Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)/C(=C/c4ccc5c(c4)OCO5)SC3=S)s2)c1 ZINC000101007030 554554840 /nfs/dbraw/zinc/55/48/40/554554840.db2.gz HANOPFFKLZZLLG-IWIPYMOSSA-N 0 0 565.742 6.171 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000101007121 554554947 /nfs/dbraw/zinc/55/49/47/554554947.db2.gz WILIZDMENRXTOT-ZHZULCJRSA-N 0 0 547.496 5.636 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(I)c1 ZINC000101007627 554555474 /nfs/dbraw/zinc/55/54/74/554555474.db2.gz JHFVDKHMQFDNLD-KGTQDBRDSA-N 0 0 520.417 5.077 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)sc2c1CCCC2 ZINC000101008156 554556316 /nfs/dbraw/zinc/55/63/16/554556316.db2.gz SIHHGPNVCOMIPM-QGOAFFKASA-N 0 0 535.112 5.687 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000101008175 554556367 /nfs/dbraw/zinc/55/63/67/554556367.db2.gz NWMXPOYFFHZEBP-LDADJPATSA-N 0 0 522.433 5.220 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)sc2c1CCCC2 ZINC000101008292 554556563 /nfs/dbraw/zinc/55/65/63/554556563.db2.gz KHCMUYILZAQRCP-XMHGGMMESA-N 0 0 549.139 6.077 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000101008294 554556580 /nfs/dbraw/zinc/55/65/80/554556580.db2.gz QRXXNBSDCRNTID-DEDYPNTBSA-N 0 0 548.542 6.661 40 10 KKCBRN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101071303 554575459 /nfs/dbraw/zinc/57/54/59/554575459.db2.gz KINUZBJFTFGRCD-NGDRWEMDSA-N 0 0 574.474 7.074 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101133364 554650680 /nfs/dbraw/zinc/65/06/80/554650680.db2.gz UFARQHNQMCGYAC-YPAWHYETSA-N 0 0 540.786 5.338 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000101532330 554795019 /nfs/dbraw/zinc/79/50/19/554795019.db2.gz RVDUQMKBFLBEOP-HYARGMPZSA-N 0 0 534.410 5.671 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545455 554795968 /nfs/dbraw/zinc/79/59/68/554795968.db2.gz PWNZHMGUKNBWCA-ZONZVBGPSA-N 0 0 544.529 5.686 40 10 KKCBRN CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590470 554802764 /nfs/dbraw/zinc/80/27/64/554802764.db2.gz GIWHFOAGGSDEJP-IDZRBWSNSA-N 0 0 540.575 5.323 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(C)=O ZINC000101598096 554803618 /nfs/dbraw/zinc/80/36/18/554803618.db2.gz AAQCXDOUQSWSBI-CYXNTTPDSA-N 0 0 546.406 5.941 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000101620652 554809294 /nfs/dbraw/zinc/80/92/94/554809294.db2.gz HEIJBEJOEVENKS-IMRQLAEWSA-N 0 0 610.508 7.008 40 10 KKCBRN CCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000101741349 554834258 /nfs/dbraw/zinc/83/42/58/554834258.db2.gz XAJZESFQZYAYRD-XDHOZWIPSA-N 0 0 540.888 5.836 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000101744919 554834403 /nfs/dbraw/zinc/83/44/03/554834403.db2.gz BXCQPOIJGDLSPP-CIAFOILYSA-N 0 0 594.339 6.881 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000101757842 554836239 /nfs/dbraw/zinc/83/62/39/554836239.db2.gz GAMSNQUSXINDAS-NHDPSOOVSA-N 0 0 550.027 6.621 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000101936450 554852034 /nfs/dbraw/zinc/85/20/34/554852034.db2.gz AMTALGOZKSOJJX-AUWJEWJLSA-N 0 0 530.219 5.534 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102549951 554961299 /nfs/dbraw/zinc/96/12/99/554961299.db2.gz NVUZOETXXCYRCX-CPCREDONSA-N 0 0 555.630 6.329 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102559567 554967105 /nfs/dbraw/zinc/96/71/05/554967105.db2.gz MDLYECFUGNCUNH-NGDRWEMDSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102563245 554968868 /nfs/dbraw/zinc/96/88/68/554968868.db2.gz MWWZEEPKRJMQBE-RTOKGZNSSA-N 0 0 555.630 6.329 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000102583075 554972833 /nfs/dbraw/zinc/97/28/33/554972833.db2.gz CQYBDDMXUSZYIO-KGENOOAVSA-N 0 0 555.475 5.583 40 10 KKCBRN Cc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000102631027 554989564 /nfs/dbraw/zinc/98/95/64/554989564.db2.gz XCYVILKUOIUPNR-NUUKTPGXSA-N 0 0 520.873 6.823 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000102869172 555098510 /nfs/dbraw/zinc/09/85/10/555098510.db2.gz QEZKAOAWSFWAAY-UODIDJSMSA-N 0 0 558.447 6.637 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(OC)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102870279 555100419 /nfs/dbraw/zinc/10/04/19/555100419.db2.gz IHQANAKBSOKMFV-YKILCQELSA-N 0 0 573.620 6.549 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102884521 555113420 /nfs/dbraw/zinc/11/34/20/555113420.db2.gz HWKXPYBDTBUUTF-MPFGFTFXSA-N 0 0 568.431 7.449 40 10 KKCBRN CCOc1ccccc1[C@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102896322 555136342 /nfs/dbraw/zinc/13/63/42/555136342.db2.gz HUPYRHCTPJHXFZ-RTOKGZNSSA-N 0 0 557.621 6.849 40 10 KKCBRN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102942704 555170799 /nfs/dbraw/zinc/17/07/99/555170799.db2.gz IIFLQEYPKKGJHZ-YGCZSEDJSA-N 0 0 591.737 5.523 40 10 KKCBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103524480 555427864 /nfs/dbraw/zinc/42/78/64/555427864.db2.gz OSFLPLNXNKVLGX-YDCVZUCISA-N 0 0 541.047 5.937 40 10 KKCBRN COc1cccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103524703 555427995 /nfs/dbraw/zinc/42/79/95/555427995.db2.gz AQRVVDAYHJDXDL-LUYUGSQRSA-N 0 0 536.628 5.292 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103530728 555431150 /nfs/dbraw/zinc/43/11/50/555431150.db2.gz ALAJBVIRGKZBGY-XWHIBYANSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103532068 555432602 /nfs/dbraw/zinc/43/26/02/555432602.db2.gz ANTYNPVWLIJLPM-JFHPUIQFSA-N 0 0 571.629 6.029 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103542647 555439039 /nfs/dbraw/zinc/43/90/39/555439039.db2.gz ASPFOEOSUWYSRJ-NGDRWEMDSA-N 0 0 576.048 6.674 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103544625 555440146 /nfs/dbraw/zinc/44/01/46/555440146.db2.gz JYMJWURAJYXCMG-IDZRBWSNSA-N 0 0 556.574 5.920 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103545891 555440656 /nfs/dbraw/zinc/44/06/56/555440656.db2.gz GGRKXMFWRGCZNZ-NGDRWEMDSA-N 0 0 540.575 6.220 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C([C@@H](CC)c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103605236 555454932 /nfs/dbraw/zinc/45/49/32/555454932.db2.gz ZDDIOVVXGBCKMM-OQVCGNNYSA-N 0 0 529.578 6.066 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103759106 555470810 /nfs/dbraw/zinc/47/08/10/555470810.db2.gz ZWXORPIYMAJPSR-UHFFFAOYSA-N 0 0 611.492 7.237 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103760991 555471291 /nfs/dbraw/zinc/47/12/91/555471291.db2.gz ULPPURADCHORKI-UHFFFAOYSA-N 0 0 617.883 7.274 40 10 KKCBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000103761686 555471662 /nfs/dbraw/zinc/47/16/62/555471662.db2.gz BTZQVOOILHQLKC-UHFFFAOYSA-N 0 0 556.688 6.462 40 10 KKCBRN CN(c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000103761637 555471742 /nfs/dbraw/zinc/47/17/42/555471742.db2.gz FJHOYASTVXCYRC-UHFFFAOYSA-N 0 0 540.645 6.112 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000103790885 555480517 /nfs/dbraw/zinc/48/05/17/555480517.db2.gz UENUGPYLKZIRDA-NBQDTTAVSA-N 0 0 593.108 6.288 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000103855133 571365939 /nfs/dbraw/zinc/36/59/39/571365939.db2.gz WBAFLDGRQPZPNN-YZSQISJMSA-N 0 0 550.571 5.903 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000103855275 571365998 /nfs/dbraw/zinc/36/59/98/571365998.db2.gz PGONEDNRICEDIS-PCLIKHOPSA-N 0 0 544.438 7.293 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000103855301 571366062 /nfs/dbraw/zinc/36/60/62/571366062.db2.gz CDNNCJMIMHFTBF-YZSQISJMSA-N 0 0 568.029 6.426 40 10 KKCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000103856894 571366310 /nfs/dbraw/zinc/36/63/10/571366310.db2.gz BXTRYTPJLFHEIX-UHFFFAOYSA-N 0 0 538.467 5.034 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000103869281 571368058 /nfs/dbraw/zinc/36/80/58/571368058.db2.gz BXLUEBDZGULKGS-WOJGMQOQSA-N 0 0 547.883 6.240 40 10 KKCBRN COc1ccc(C)c2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000103899570 571368968 /nfs/dbraw/zinc/36/89/68/571368968.db2.gz SCDYGHKVYOQWMT-GOHWNWGWSA-N 0 0 575.330 8.487 40 10 KKCBRN CCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/N=N/c3ccccc3)cc2)[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC ZINC000104040548 571371548 /nfs/dbraw/zinc/37/15/48/571371548.db2.gz AMSVXLPPAZFKDC-MSMGUYCDSA-N 0 0 584.622 5.124 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000104043217 571371558 /nfs/dbraw/zinc/37/15/58/571371558.db2.gz KJDIAXSQYAPYKT-QQJNOOCOSA-N 0 0 561.981 6.053 40 10 KKCBRN O=C(OC1=C(OC(=O)c2ccc(/N=N\c3ccccc3)cc2)c2ccccc21)c1ccc(/N=N/c2ccccc2)cc1 ZINC000104114416 571374170 /nfs/dbraw/zinc/37/41/70/571374170.db2.gz YEYLSKFBDUMBJI-LYERXDRPSA-N 0 0 550.574 9.371 40 10 KKCBRN S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2/N=N/c2ccccc2)N1c1ccc(Cl)cc1 ZINC000104228759 571377512 /nfs/dbraw/zinc/37/75/12/571377512.db2.gz LVJSFEGVNJNPFL-ULIFNZDWSA-N 0 0 602.970 9.503 40 10 KKCBRN S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=NCCN2)N1c1ccccn1 ZINC000104238548 571377687 /nfs/dbraw/zinc/37/76/87/571377687.db2.gz HLXCCNGESVOVAL-KTMFPKCZSA-N 0 0 528.856 6.608 40 10 KKCBRN COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2ccccc2Cl)c1-c1ccccc1 ZINC000104290120 571378409 /nfs/dbraw/zinc/37/84/09/571378409.db2.gz KUUOOOAYGCWPJU-KNWKATPGSA-N 0 0 550.018 7.964 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104645701 571381757 /nfs/dbraw/zinc/38/17/57/571381757.db2.gz KFNIPKNZUCICHM-ANSQWYIGSA-N 0 0 539.451 6.114 40 10 KKCBRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104645776 571381766 /nfs/dbraw/zinc/38/17/66/571381766.db2.gz DVNPMGOOEXKXFP-FISMMAAMSA-N 0 0 581.694 7.364 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1C ZINC000104646054 571381845 /nfs/dbraw/zinc/38/18/45/571381845.db2.gz ALYGINLHQVTHMI-VKIDHGPPSA-N 0 0 553.478 6.422 40 10 KKCBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646309 571381881 /nfs/dbraw/zinc/38/18/81/571381881.db2.gz VISCJRPVWUFKPJ-FVXXUCQHSA-N 0 0 523.614 6.889 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646348 571381984 /nfs/dbraw/zinc/38/19/84/571381984.db2.gz MWRSFKXCGKMBIB-HEHLMWRFSA-N 0 0 587.539 7.752 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646954 571382036 /nfs/dbraw/zinc/38/20/36/571382036.db2.gz GEKFPIOUGVFFQU-HOOSLVGPSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647017 571382090 /nfs/dbraw/zinc/38/20/90/571382090.db2.gz JAMMSOMAFLJPAH-AYNSBQOLSA-N 0 0 594.314 7.112 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647773 571382266 /nfs/dbraw/zinc/38/22/66/571382266.db2.gz PCWMSYGARINHIR-CEYNDMKZSA-N 0 0 519.881 7.583 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647767 571382304 /nfs/dbraw/zinc/38/23/04/571382304.db2.gz CFUJCIWMPPLIIR-OSWQYVSFSA-N 0 0 519.881 7.583 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647845 571382330 /nfs/dbraw/zinc/38/23/30/571382330.db2.gz WPAZUUGJTZVOOK-OUDXUNEISA-N 0 0 526.014 6.193 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647718 571382351 /nfs/dbraw/zinc/38/23/51/571382351.db2.gz HKWDZOKFCCLXAO-UNVFRBQDSA-N 0 0 559.913 7.047 40 10 KKCBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647792 571382384 /nfs/dbraw/zinc/38/23/84/571382384.db2.gz RVNQHGWLFXPHHG-BPYKYCOYSA-N 0 0 529.887 7.038 40 10 KKCBRN CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648167 571382481 /nfs/dbraw/zinc/38/24/81/571382481.db2.gz ADYQHOJMPSLUIR-CLCZQPDDSA-N 0 0 537.523 7.374 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648315 571382487 /nfs/dbraw/zinc/38/24/87/571382487.db2.gz YZUMKIKQZUFAGA-GLDPYIMESA-N 0 0 549.412 7.095 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648341 571382537 /nfs/dbraw/zinc/38/25/37/571382537.db2.gz YSHNQYFCTOQOPT-WZOHSFFVSA-N 0 0 556.438 5.993 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648690 571382638 /nfs/dbraw/zinc/38/26/38/571382638.db2.gz YUUSJBJQNBJUBQ-WZOHSFFVSA-N 0 0 562.997 6.773 40 10 KKCBRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000104648560 571382684 /nfs/dbraw/zinc/38/26/84/571382684.db2.gz HBJDHFQALMOMRK-SRGWNRLKSA-N 0 0 539.406 7.640 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648651 571382688 /nfs/dbraw/zinc/38/26/88/571382688.db2.gz ODMXWQGNPOQFCK-ANSQWYIGSA-N 0 0 565.013 7.003 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649249 571382753 /nfs/dbraw/zinc/38/27/53/571382753.db2.gz YFGDHVNXIWGOHS-PVTPYKNESA-N 0 0 573.512 7.869 40 10 KKCBRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000104648848 571382771 /nfs/dbraw/zinc/38/27/71/571382771.db2.gz MKAWYQRTUWZQLS-PPJWLVRDSA-N 0 0 525.468 6.475 40 10 KKCBRN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104650195 571383197 /nfs/dbraw/zinc/38/31/97/571383197.db2.gz DUOPSIPGXQGMKM-PFPZSTESSA-N 0 0 521.469 7.774 40 10 KKCBRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000104650112 571383201 /nfs/dbraw/zinc/38/32/01/571383201.db2.gz AQVSLAZIQJABGB-RHGYRFJNSA-N 0 0 516.406 6.529 40 10 KKCBRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650366 571383241 /nfs/dbraw/zinc/38/32/41/571383241.db2.gz GEMQPBHMKGYFIW-BBANNHEPSA-N 0 0 531.052 7.773 40 10 KKCBRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650562 571383291 /nfs/dbraw/zinc/38/32/91/571383291.db2.gz UHYZVAUUFOPTIU-FVXXUCQHSA-N 0 0 573.512 7.869 40 10 KKCBRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n31)c1ccccc1CC2 ZINC000104655438 571383642 /nfs/dbraw/zinc/38/36/42/571383642.db2.gz DVZCMBFCRGCSBN-GSTVVXAASA-N 0 0 588.689 5.643 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000104659673 571384894 /nfs/dbraw/zinc/38/48/94/571384894.db2.gz SWOWYYMSUMJEHV-OGMUYLFESA-N 0 0 558.663 5.634 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3O)sc2=N1 ZINC000104676773 571385210 /nfs/dbraw/zinc/38/52/10/571385210.db2.gz JDQYLVIFRMUXRB-LAUBZIAYSA-N 0 0 561.748 5.254 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=CC3=CC(=NNc4ccccc4)C=CC3=O)sc2=N1 ZINC000104677401 571385384 /nfs/dbraw/zinc/38/53/84/571385384.db2.gz GBVZMOMCWFPFFA-KLOURINNSA-N 0 0 594.737 6.823 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000104857396 571386831 /nfs/dbraw/zinc/38/68/31/571386831.db2.gz ACHSIGHPDKAXHV-NTBWJWDGSA-N 0 0 589.393 6.371 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000105500201 571406443 /nfs/dbraw/zinc/40/64/43/571406443.db2.gz PYJVQFNGUJLJOG-FABFSAKGSA-N 0 0 595.696 5.507 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106687265 571413807 /nfs/dbraw/zinc/41/38/07/571413807.db2.gz KEXKQKMCZXAZDC-MYYYXRDXSA-N 0 0 502.596 5.839 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106690182 571413975 /nfs/dbraw/zinc/41/39/75/571413975.db2.gz NTTPLPAUAZAHAK-ROTLSHHCSA-N 0 0 586.338 8.553 40 10 KKCBRN O=C(CN1C(=O)SC(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)C1=O)Nc1ccccc1 ZINC000106710990 571415311 /nfs/dbraw/zinc/41/53/11/571415311.db2.gz IYASGDZYGPWSFQ-URAKBLTASA-N 0 0 526.496 6.501 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106716212 571415449 /nfs/dbraw/zinc/41/54/49/571415449.db2.gz LUKBFXKPSHSIKF-NKVSQWTQSA-N 0 0 526.272 7.944 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000106716085 571415473 /nfs/dbraw/zinc/41/54/73/571415473.db2.gz KPBCXDKVXKXRLO-MXAYSNPKSA-N 0 0 586.338 8.553 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000106726395 571416320 /nfs/dbraw/zinc/41/63/20/571416320.db2.gz UIPKGZWDZTZOCM-MTJSOVHGSA-N 0 0 593.284 6.698 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106725662 571416386 /nfs/dbraw/zinc/41/63/86/571416386.db2.gz BXOCCELSSSYJFR-YUMHPJSZSA-N 0 0 620.550 8.153 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106734461 571416737 /nfs/dbraw/zinc/41/67/37/571416737.db2.gz HEBTUUGLIBXGNS-NKVSQWTQSA-N 0 0 508.924 7.142 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106737717 571416943 /nfs/dbraw/zinc/41/69/43/571416943.db2.gz UKBGXOHQEPVKNL-HOEBFWFUSA-N 0 0 535.836 7.020 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106759593 571418005 /nfs/dbraw/zinc/41/80/05/571418005.db2.gz GHYWUJNATSNMFI-IMRQLAEWSA-N 0 0 546.649 6.108 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106764558 571418052 /nfs/dbraw/zinc/41/80/52/571418052.db2.gz HXKSDQFMYCZEQK-ONUIUJJFSA-N 0 0 532.622 5.718 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c([N+](=O)[O-])c1 ZINC000223103194 571431599 /nfs/dbraw/zinc/43/15/99/571431599.db2.gz RRDDPQYBFKWJMK-CLJLJLNGSA-N 0 0 505.644 5.711 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144683 571436070 /nfs/dbraw/zinc/43/60/70/571436070.db2.gz BSUDRKPMPQWONY-JWQCQUIFSA-N 0 0 530.525 5.101 40 10 KKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000113474032 571438825 /nfs/dbraw/zinc/43/88/25/571438825.db2.gz HGKAUWMTZADKGZ-ITYLOYPMSA-N 0 0 511.607 7.069 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169992 571440010 /nfs/dbraw/zinc/44/00/10/571440010.db2.gz RITDHTBRRPGMJT-IZZNHLLZSA-N 0 0 543.659 5.203 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169933 571440018 /nfs/dbraw/zinc/44/00/18/571440018.db2.gz RITDHTBRRPGMJT-FTJBHMTQSA-N 0 0 543.659 5.203 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000113624745 571441403 /nfs/dbraw/zinc/44/14/03/571441403.db2.gz QYDRXMZQLOCIDK-UHFFFAOYSA-N 0 0 553.728 6.311 40 10 KKCBRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000113625521 571441447 /nfs/dbraw/zinc/44/14/47/571441447.db2.gz OUUMXWUXFXUCJD-UHFFFAOYSA-N 0 0 555.700 5.621 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000113830789 571442403 /nfs/dbraw/zinc/44/24/03/571442403.db2.gz KFWDCNBLBNOLQH-FYJGNVAPSA-N 0 0 575.347 7.505 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000113830948 571442408 /nfs/dbraw/zinc/44/24/08/571442408.db2.gz YEOVAXHVGJBVCI-BUVRLJJBSA-N 0 0 512.052 6.732 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000113832924 571442493 /nfs/dbraw/zinc/44/24/93/571442493.db2.gz RRUPIOQFKNIEAK-KGENOOAVSA-N 0 0 518.037 5.522 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000113831236 571442511 /nfs/dbraw/zinc/44/25/11/571442511.db2.gz HNUQAGLMQMTPFX-CXUHLZMHSA-N 0 0 531.824 5.758 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834041 571442626 /nfs/dbraw/zinc/44/26/26/571442626.db2.gz ASRCHCFMOMQFPD-WSDLNYQXSA-N 0 0 523.548 5.496 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1 ZINC000113833865 571442644 /nfs/dbraw/zinc/44/26/44/571442644.db2.gz QARGZPUCCCEWRC-OEAKJJBVSA-N 0 0 508.577 5.597 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834385 571442716 /nfs/dbraw/zinc/44/27/16/571442716.db2.gz HTEURMGBLPCLPV-LPYMAVHISA-N 0 0 523.548 5.496 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834387 571442743 /nfs/dbraw/zinc/44/27/43/571442743.db2.gz XZQZVALAABQNBE-WSDLNYQXSA-N 0 0 523.548 5.496 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1C1CCCCC1 ZINC000113834432 571442747 /nfs/dbraw/zinc/44/27/47/571442747.db2.gz OBUMQMYETQCFHI-FSJBWODESA-N 0 0 501.504 7.530 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000113834326 571442784 /nfs/dbraw/zinc/44/27/84/571442784.db2.gz ZAAXDFJBLCBKMF-AUEPDCJTSA-N 0 0 529.901 8.056 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113834166 571442800 /nfs/dbraw/zinc/44/28/00/571442800.db2.gz ZKEVBHIIVINCGY-WSDLNYQXSA-N 0 0 512.996 6.242 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223202473 571444327 /nfs/dbraw/zinc/44/43/27/571444327.db2.gz NXIJWKNWTVPRAK-UHFFFAOYSA-N 0 0 511.713 5.075 40 10 KKCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000139625563 571453161 /nfs/dbraw/zinc/45/31/61/571453161.db2.gz ZMPVRHWLMXGRAH-DBXPASCUSA-N 0 0 542.502 5.147 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000144734922 571456524 /nfs/dbraw/zinc/45/65/24/571456524.db2.gz WYQBQALZXNUXOB-ONUIUJJFSA-N 0 0 543.450 7.806 40 10 KKCBRN CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000147674787 571456872 /nfs/dbraw/zinc/45/68/72/571456872.db2.gz DYBLOCUSGJNSMR-QPJBPQEWSA-N 0 0 560.492 5.286 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223312533 571459337 /nfs/dbraw/zinc/45/93/37/571459337.db2.gz XHYZHDKAYJFRPX-NWVWQQAFSA-N 0 0 501.483 5.947 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150353380 571462799 /nfs/dbraw/zinc/46/27/99/571462799.db2.gz ZVAIVSVPWNRBNU-RDRPBHBLSA-N 0 0 692.522 7.990 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150363307 571464210 /nfs/dbraw/zinc/46/42/10/571464210.db2.gz RBWRGOJXHIKQHH-UOVKPGFYSA-N 0 0 656.135 5.864 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C ZINC000150365849 571464641 /nfs/dbraw/zinc/46/46/41/571464641.db2.gz IAFBRPFISOTXSO-FHRWDEKQSA-N 0 0 685.612 9.254 40 10 KKCBRN CC1=NN(c2ccccc2)C(=S)/C1=C(\N[C@H]1CCCC[C@@H]1N/C(=C1/C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150373566 571466114 /nfs/dbraw/zinc/46/61/14/571466114.db2.gz GEIIXGCPOFWFOA-SCAMBWNLSA-N 0 0 666.920 8.746 40 10 KKCBRN O=C(Nc1cccc2c1C(=O)c1ccc(Nc3cc(NC(=O)c4ccccc4)c4c(c3)C(=O)c3ccccc3C4=O)cc1C2=O)c1ccccc1 ZINC000150384487 571468296 /nfs/dbraw/zinc/46/82/96/571468296.db2.gz UCYACQSVOWFCDE-UHFFFAOYSA-N 0 0 667.677 7.486 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Br ZINC000223385156 571469225 /nfs/dbraw/zinc/46/92/25/571469225.db2.gz XQWCODUXDOXHPJ-IZZNHLLZSA-N 0 0 517.496 6.424 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223388115 571469823 /nfs/dbraw/zinc/46/98/23/571469823.db2.gz FOYAKFPRTJYTML-CLJLJLNGSA-N 0 0 507.490 6.969 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391733 571470329 /nfs/dbraw/zinc/47/03/29/571470329.db2.gz ZSZHLKOQXNLAMT-SXOMAYOGSA-N 0 0 513.623 5.579 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000150389341 571471766 /nfs/dbraw/zinc/47/17/66/571471766.db2.gz NTMMCXMLOKOKAX-AFUMVMLFSA-N 0 0 690.479 7.646 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223415182 571473295 /nfs/dbraw/zinc/47/32/95/571473295.db2.gz PGCNOJACWXVZFR-SXOMAYOGSA-N 0 0 519.070 6.029 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223419655 571473803 /nfs/dbraw/zinc/47/38/03/571473803.db2.gz FGDKCLGNKYOUCC-SVBPBHIXSA-N 0 0 536.623 6.689 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223419699 571473873 /nfs/dbraw/zinc/47/38/73/571473873.db2.gz FGDKCLGNKYOUCC-SXOMAYOGSA-N 0 0 536.623 6.689 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223421480 571474220 /nfs/dbraw/zinc/47/42/20/571474220.db2.gz UZZNAKXEMXKCSQ-SVBPBHIXSA-N 0 0 547.522 6.433 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424378 571474617 /nfs/dbraw/zinc/47/46/17/571474617.db2.gz VPLHUDQUKWYJEZ-CONSDPRKSA-N 0 0 539.749 6.517 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223426382 571474843 /nfs/dbraw/zinc/47/48/43/571474843.db2.gz PNKUFHWICAHGEA-PQHLKRTFSA-N 0 0 510.707 6.596 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223444843 571477608 /nfs/dbraw/zinc/47/76/08/571477608.db2.gz WQWAKERBEVUMAK-WUFINQPMSA-N 0 0 526.662 5.457 40 10 KKCBRN CCCCCOC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150400601 571478021 /nfs/dbraw/zinc/47/80/21/571478021.db2.gz UGHKQHAQAJQPLY-WCWDXBQESA-N 0 0 642.846 7.022 40 10 KKCBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)SC1=S)c1ccc(Cl)cc1Cl ZINC000150401125 571478194 /nfs/dbraw/zinc/47/81/94/571478194.db2.gz QVXVMMOBAVJQJX-BUHFOSPRSA-N 0 0 638.388 5.222 40 10 KKCBRN COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404968 571479146 /nfs/dbraw/zinc/47/91/46/571479146.db2.gz WAXKDOZZYGIANY-ZPGRZCPFSA-N 0 0 718.756 5.103 40 10 KKCBRN S=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc(c2=NNc2cc(Cl)ccc2Cl)n1-c1ccc(Br)cc1 ZINC000150405829 571479423 /nfs/dbraw/zinc/47/94/23/571479423.db2.gz WZRRVUMHZVXIJV-KXYMVQBMSA-N 0 0 654.808 10.130 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Br)cc1 ZINC000223461577 571480084 /nfs/dbraw/zinc/48/00/84/571480084.db2.gz VDXOIHPGVQFVCZ-JWQCQUIFSA-N 0 0 518.484 5.819 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463842 571480701 /nfs/dbraw/zinc/48/07/01/571480701.db2.gz KDCPTZBQZVZDSH-FQLXRVMXSA-N 0 0 510.711 5.903 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224123454 571480747 /nfs/dbraw/zinc/48/07/47/571480747.db2.gz OBNBZSSLZQAVTP-NSJAGVOXSA-N 0 0 620.650 8.161 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223464234 571480821 /nfs/dbraw/zinc/48/08/21/571480821.db2.gz LGTVGVBIFAKOGJ-LOSJGSFVSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000224128925 571482154 /nfs/dbraw/zinc/48/21/54/571482154.db2.gz QLSQHPRVRUCENB-OTWWGAIPSA-N 0 0 588.196 7.941 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224129629 571482430 /nfs/dbraw/zinc/48/24/30/571482430.db2.gz ZEYXAAJQEFTUQO-WTEHXLFCSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224130358 571482549 /nfs/dbraw/zinc/48/25/49/571482549.db2.gz IUKPIKVTZYFSDC-CKUCSLQLSA-N 0 0 649.102 8.564 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(I)c3)C2=O)SC1=S)Nc1cccc(I)c1 ZINC000150410358 571482786 /nfs/dbraw/zinc/48/27/86/571482786.db2.gz KFYHIRPEFFWVOZ-OCEACIFDSA-N 0 0 892.670 7.526 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224134214 571483328 /nfs/dbraw/zinc/48/33/28/571483328.db2.gz QWIUANXHIXVRDZ-UYSIWUAJSA-N 0 0 612.287 8.727 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224134548 571483531 /nfs/dbraw/zinc/48/35/31/571483531.db2.gz GBCFJMKVWHZQQA-BXYJHVRESA-N 0 0 618.678 8.764 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224135512 571483545 /nfs/dbraw/zinc/48/35/45/571483545.db2.gz NIPLOHOYPJETKD-BXYJHVRESA-N 0 0 634.677 8.464 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000224136063 571483741 /nfs/dbraw/zinc/48/37/41/571483741.db2.gz KGCPQDZDUYFZHS-MPLPQHJPSA-N 0 0 585.221 7.505 40 10 KKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21 ZINC000223493751 571486383 /nfs/dbraw/zinc/48/63/83/571486383.db2.gz HGSOFHDGSSZFAP-QRVIBDJDSA-N 0 0 511.485 7.096 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)c1 ZINC000224148677 571486521 /nfs/dbraw/zinc/48/65/21/571486521.db2.gz WIUHPIAHLSPGBS-DRGKEXPISA-N 0 0 628.242 7.589 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223494949 571486755 /nfs/dbraw/zinc/48/67/55/571486755.db2.gz BFSVERFXJJVFIT-RPBOFIJWSA-N 0 0 507.585 6.076 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OC ZINC000150421126 571487479 /nfs/dbraw/zinc/48/74/79/571487479.db2.gz BUNWUESVBJARHH-LFVJCYFKSA-N 0 0 632.454 6.744 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223500572 571487824 /nfs/dbraw/zinc/48/78/24/571487824.db2.gz MQGXSSSZQGYHAS-RPBOFIJWSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223503596 571488431 /nfs/dbraw/zinc/48/84/31/571488431.db2.gz QBKMONYYFGLAMQ-IZZNHLLZSA-N 0 0 504.059 5.719 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Br ZINC000224166381 571489457 /nfs/dbraw/zinc/48/94/57/571489457.db2.gz YOGURCNWQMHTQP-JWQCQUIFSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000224166940 571489649 /nfs/dbraw/zinc/48/96/49/571489649.db2.gz LIZLHFFXZONJTP-LOSJGSFVSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Br ZINC000224166482 571489648 /nfs/dbraw/zinc/48/96/48/571489648.db2.gz YOGURCNWQMHTQP-LOSJGSFVSA-N 0 0 503.469 6.429 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)c(C)c1 ZINC000223520553 571492759 /nfs/dbraw/zinc/49/27/59/571492759.db2.gz LKDUDAXMWCYPFR-WGARJPEWSA-N 0 0 517.695 6.697 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000150430351 571493146 /nfs/dbraw/zinc/49/31/46/571493146.db2.gz GLNSEZXUXOEVSL-CCVNUDIWSA-N 0 0 642.402 8.979 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000150432552 571494368 /nfs/dbraw/zinc/49/43/68/571494368.db2.gz ILFIBJNSNHBWJD-CCVNUDIWSA-N 0 0 625.350 7.835 40 10 KKCBRN CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000150433859 571494697 /nfs/dbraw/zinc/49/46/97/571494697.db2.gz UYHFLFYRGWPHRD-SANMLTNESA-N 0 0 635.547 5.984 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224205881 571496394 /nfs/dbraw/zinc/49/63/94/571496394.db2.gz WGPMPSSNYJKOOS-IZZNHLLZSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223534450 571496562 /nfs/dbraw/zinc/49/65/62/571496562.db2.gz LBOLHCYQYMDXDS-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Br)c1 ZINC000223537110 571497243 /nfs/dbraw/zinc/49/72/43/571497243.db2.gz AUKOHSBOQBDIEU-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C4\SC(=S)N(CCC(=O)Nc5ncc(Cc6ccc(C)cc6)s5)C4=O)SC3=S)s2)cc1 ZINC000150444756 571499972 /nfs/dbraw/zinc/49/99/72/571499972.db2.gz UFGIHTYGDYMVJQ-BYYHNAKLSA-N 0 0 779.054 6.688 40 10 KKCBRN CCOC(=O)[C@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000150446284 571500958 /nfs/dbraw/zinc/50/09/58/571500958.db2.gz SRXMTNHDVLXGNN-HKBQPEDESA-N 0 0 634.776 6.051 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150450473 571502368 /nfs/dbraw/zinc/50/23/68/571502368.db2.gz WFXCSVSMDVTFES-PZLZUMHWSA-N 0 0 645.236 7.150 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150450537 571502445 /nfs/dbraw/zinc/50/24/45/571502445.db2.gz LXLAYYRFKTZOML-GUSDSWBTSA-N 0 0 631.209 6.760 40 10 KKCBRN CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223565777 571503304 /nfs/dbraw/zinc/50/33/04/571503304.db2.gz VHNBBMKYUVXBHS-ICODJCHTSA-N 0 0 513.501 7.186 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1Br ZINC000224235899 571503514 /nfs/dbraw/zinc/50/35/14/571503514.db2.gz VJIWNGBJQXGGQX-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224236004 571503546 /nfs/dbraw/zinc/50/35/46/571503546.db2.gz PBVWNLWXRABMAW-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224239957 571504389 /nfs/dbraw/zinc/50/43/89/571504389.db2.gz FCNPDZCDJQQTDD-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150455940 571504492 /nfs/dbraw/zinc/50/44/92/571504492.db2.gz FMXQDPAPAXAXOO-RQZCQDPDSA-N 0 0 633.225 6.903 40 10 KKCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150455814 571504509 /nfs/dbraw/zinc/50/45/09/571504509.db2.gz VALSWNPCWVIJHH-VIZOYTHASA-N 0 0 639.616 6.858 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)SC1=S)N(CCO)Cc1ccccc1 ZINC000150463909 571507433 /nfs/dbraw/zinc/50/74/33/571507433.db2.gz JBDRAOXUNAOALJ-QNEJGDQOSA-N 0 0 757.038 5.082 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224257823 571507960 /nfs/dbraw/zinc/50/79/60/571507960.db2.gz UMSWKZZIYVUMOO-RRPNLBNLSA-N 0 0 520.624 7.302 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000150469482 571508703 /nfs/dbraw/zinc/50/87/03/571508703.db2.gz ORMWNJJLAVYFTO-XQQUEIPISA-N 0 0 821.128 9.506 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(C(=O)OCCCC)cc4)C3=O)SC2=S)cc1 ZINC000150469672 571508882 /nfs/dbraw/zinc/50/88/82/571508882.db2.gz LXSWDLNENCGYBY-QVIHXGFCSA-N 0 0 785.004 6.670 40 10 KKCBRN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4sc5c(c4C(=O)OCC)CCCC5)C3=O)SC2=S)sc2c1CCCC2 ZINC000150469799 571508910 /nfs/dbraw/zinc/50/89/10/571508910.db2.gz FPQFAPORNXYJEQ-BYYHNAKLSA-N 0 0 849.138 6.990 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)SC1=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000150469958 571508976 /nfs/dbraw/zinc/50/89/76/571508976.db2.gz AYRKJVWCXSMVOK-OCEACIFDSA-N 0 0 845.762 9.661 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000150469793 571508989 /nfs/dbraw/zinc/50/89/89/571508989.db2.gz QPVQFPZWBZXBTO-BYYHNAKLSA-N 0 0 847.944 8.158 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224262214 571509021 /nfs/dbraw/zinc/50/90/21/571509021.db2.gz PFVKGBVVZHJARE-KAYWLYCHSA-N 0 0 503.071 6.642 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000150470047 571509065 /nfs/dbraw/zinc/50/90/65/571509065.db2.gz KXPCFBYWLGMJOA-OCEACIFDSA-N 0 0 730.872 6.133 40 10 KKCBRN CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCC[C@@H]3CC)C2=O)SC1=S ZINC000150470105 571509193 /nfs/dbraw/zinc/50/91/93/571509193.db2.gz FLDVHNDTWYIDOY-IFKSUAARSA-N 0 0 681.028 6.622 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224268786 571510274 /nfs/dbraw/zinc/51/02/74/571510274.db2.gz ATNHUZSDXURSQD-KAYWLYCHSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224270780 571510625 /nfs/dbraw/zinc/51/06/25/571510625.db2.gz HUHNRMHLPYKICF-KAYWLYCHSA-N 0 0 521.517 7.590 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224272740 571510948 /nfs/dbraw/zinc/51/09/48/571510948.db2.gz RKFMWACOEMCBOV-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224272359 571510996 /nfs/dbraw/zinc/51/09/96/571510996.db2.gz GRIUOZDIDQONKC-WUFINQPMSA-N 0 0 501.099 7.245 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224272551 571511004 /nfs/dbraw/zinc/51/10/04/571511004.db2.gz YXNLIEXJFANJOT-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150481011 571512260 /nfs/dbraw/zinc/51/22/60/571512260.db2.gz RYDOBAUGJVYOIA-LQKURTRISA-N 0 0 716.415 9.389 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150481116 571512439 /nfs/dbraw/zinc/51/24/39/571512439.db2.gz LKXYYXQEMVGIRN-RDRPBHBLSA-N 0 0 726.421 8.844 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224286369 571513698 /nfs/dbraw/zinc/51/36/98/571513698.db2.gz LMQXDOPFGUYRRI-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616069 571514493 /nfs/dbraw/zinc/51/44/93/571514493.db2.gz DXFBQSLKCWULQJ-DNNAEVNTSA-N 0 0 526.102 6.824 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616349 571514667 /nfs/dbraw/zinc/51/46/67/571514667.db2.gz OGSMQMJXGJWSLL-DNNAEVNTSA-N 0 0 570.553 6.933 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224294758 571515501 /nfs/dbraw/zinc/51/55/01/571515501.db2.gz SCWUMRWWUSUNGW-KAYWLYCHSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224294911 571515722 /nfs/dbraw/zinc/51/57/22/571515722.db2.gz SCWUMRWWUSUNGW-SVBPBHIXSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224298159 571516528 /nfs/dbraw/zinc/51/65/28/571516528.db2.gz CPJCMBPNVYBIPD-CONSDPRKSA-N 0 0 502.687 7.436 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304190 571517692 /nfs/dbraw/zinc/51/76/92/571517692.db2.gz YDWRBZRWNQNWNG-FIRIVFDPSA-N 0 0 523.750 7.129 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224306396 571518378 /nfs/dbraw/zinc/51/83/78/571518378.db2.gz QFCZHHCUQYNINI-NSOVKSMOSA-N 0 0 501.099 7.245 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223640452 571518747 /nfs/dbraw/zinc/51/87/47/571518747.db2.gz LXYMUTFFVLWGJZ-PKTZIBPZSA-N 0 0 502.562 5.044 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224309249 571518967 /nfs/dbraw/zinc/51/89/67/571518967.db2.gz BCTIYFBZXGDZTA-UHFFFAOYSA-N 0 0 544.515 5.115 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)N=C2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000150523060 571520322 /nfs/dbraw/zinc/52/03/22/571520322.db2.gz VLYWHWLRNJPSSA-QRQIAZFYSA-N 0 0 628.607 6.790 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1 ZINC000224320971 571521399 /nfs/dbraw/zinc/52/13/99/571521399.db2.gz JHHYPKLUJVSBSG-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000224334671 571524297 /nfs/dbraw/zinc/52/42/97/571524297.db2.gz RNKHXVWHYWAPII-KAYWLYCHSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000224341020 571526074 /nfs/dbraw/zinc/52/60/74/571526074.db2.gz YXBXKUAVXRHRNO-IZLXSDGUSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000224353870 571528692 /nfs/dbraw/zinc/52/86/92/571528692.db2.gz NUTRWONLEJIJKT-WUFINQPMSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224357908 571529161 /nfs/dbraw/zinc/52/91/61/571529161.db2.gz IEPCKBUHNXTAAY-ROJLCIKYSA-N 0 0 551.760 6.626 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224365145 571530859 /nfs/dbraw/zinc/53/08/59/571530859.db2.gz SVVWGKUEHDPDDC-ZWXJPIIXSA-N 0 0 516.714 7.943 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Cl ZINC000224367639 571531203 /nfs/dbraw/zinc/53/12/03/571531203.db2.gz GBDQZJGKSJEZRQ-IZLXSDGUSA-N 0 0 501.099 7.443 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223712285 571531221 /nfs/dbraw/zinc/53/12/21/571531221.db2.gz ZHOSRILYXRPUOH-DNQXCXABSA-N 0 0 516.589 5.434 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224367838 571531276 /nfs/dbraw/zinc/53/12/76/571531276.db2.gz PTTMAIJFTLKMAA-IZLXSDGUSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224368483 571531327 /nfs/dbraw/zinc/53/13/27/571531327.db2.gz QNCLVQVNZUQRDR-WUFINQPMSA-N 0 0 545.550 7.552 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224371644 571532198 /nfs/dbraw/zinc/53/21/98/571532198.db2.gz OJQQJPXJKKFXRS-FQLXRVMXSA-N 0 0 510.663 6.518 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373241 571532565 /nfs/dbraw/zinc/53/25/65/571532565.db2.gz QYRTZUJQXFFYGO-URLMMPGGSA-N 0 0 541.677 6.706 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224373481 571532711 /nfs/dbraw/zinc/53/27/11/571532711.db2.gz LQWDOXCEUKQFFA-SMCANUKXSA-N 0 0 508.735 7.660 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725763 571533367 /nfs/dbraw/zinc/53/33/67/571533367.db2.gz OZSBGBCCTXHUTA-NSOVKSMOSA-N 0 0 519.715 5.261 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(I)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163282198 571534798 /nfs/dbraw/zinc/53/47/98/571534798.db2.gz DOESEAJRBLAQLR-UDHMSBBDSA-N 0 0 699.614 6.348 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000163311940 571535387 /nfs/dbraw/zinc/53/53/87/571535387.db2.gz RIBRPUSPYWLFJQ-UHFFFAOYSA-N 0 0 630.216 5.619 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224389862 571536177 /nfs/dbraw/zinc/53/61/77/571536177.db2.gz DCURVPQAQRHMEO-DQEYMECFSA-N 0 0 510.560 6.824 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223749105 571537621 /nfs/dbraw/zinc/53/76/21/571537621.db2.gz XQPXAQXXBFNCHK-UIOOFZCWSA-N 0 0 505.087 6.552 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224400547 571537957 /nfs/dbraw/zinc/53/79/57/571537957.db2.gz JIGLAFPKUHFYAU-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC000224400351 571537964 /nfs/dbraw/zinc/53/79/64/571537964.db2.gz KZLTXHDQLTXJPM-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224404497 571538984 /nfs/dbraw/zinc/53/89/84/571538984.db2.gz LDTJJBAXFPVISP-FTJBHMTQSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223757972 571539233 /nfs/dbraw/zinc/53/92/33/571539233.db2.gz BHMMYETZKQCHNA-IZZNHLLZSA-N 0 0 522.596 6.694 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163718968 571541650 /nfs/dbraw/zinc/54/16/50/571541650.db2.gz DJXCYUKYIYRRFX-USDTVRPUSA-N 0 0 667.025 5.859 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000163720766 571541652 /nfs/dbraw/zinc/54/16/52/571541652.db2.gz PYNJIFPNBYHNCQ-PRLWALMFSA-N 0 0 745.921 6.622 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)c1 ZINC000223781036 571543021 /nfs/dbraw/zinc/54/30/21/571543021.db2.gz IQGRHBGIQZFHLS-SXOMAYOGSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223786250 571543883 /nfs/dbraw/zinc/54/38/83/571543883.db2.gz MHVACCLIZZVYRF-RRPNLBNLSA-N 0 0 536.623 7.084 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000164193027 571544829 /nfs/dbraw/zinc/54/48/29/571544829.db2.gz PSONKIZYCGYLEQ-SJXDCSIJSA-N 0 0 664.622 5.766 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224435881 571545495 /nfs/dbraw/zinc/54/54/95/571545495.db2.gz GVBUCJGJFBDKRI-RPBOFIJWSA-N 0 0 511.453 7.112 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224435919 571545460 /nfs/dbraw/zinc/54/54/60/571545460.db2.gz GVBUCJGJFBDKRI-LOSJGSFVSA-N 0 0 511.453 7.112 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C ZINC000224437431 571545807 /nfs/dbraw/zinc/54/58/07/571545807.db2.gz VJIVSXDRUQKERU-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223797785 571545847 /nfs/dbraw/zinc/54/58/47/571545847.db2.gz KYPTVQKSTXYYLA-SVBPBHIXSA-N 0 0 503.071 6.718 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000223798308 571546052 /nfs/dbraw/zinc/54/60/52/571546052.db2.gz UHEGJIYHFJSHQU-SXOMAYOGSA-N 0 0 547.522 6.827 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000223801535 571546642 /nfs/dbraw/zinc/54/66/42/571546642.db2.gz NCMSNUOKZSMPJA-CONSDPRKSA-N 0 0 539.749 6.911 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223801293 571546664 /nfs/dbraw/zinc/54/66/64/571546664.db2.gz NAOJZJVDKOAUJV-VMPREFPWSA-N 0 0 511.695 6.131 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)C(=O)N(C)C1=S ZINC000164429326 571547413 /nfs/dbraw/zinc/54/74/13/571547413.db2.gz XBOOOFRJBOLAAI-UHFFFAOYSA-N 0 0 621.294 5.385 40 10 KKCBRN CN1C(=O)C(=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)C(=O)N(C)C1=S ZINC000164432190 571547653 /nfs/dbraw/zinc/54/76/53/571547653.db2.gz BLNJPSBTEVPXLN-UHFFFAOYSA-N 0 0 668.294 5.227 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164545401 571549855 /nfs/dbraw/zinc/54/98/55/571549855.db2.gz ZKJQJRXXUQQEJY-PLNPHXOGSA-N 0 0 634.714 5.260 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224454969 571549875 /nfs/dbraw/zinc/54/98/75/571549875.db2.gz HUZGZJXIDCBTBO-WDYNHAJCSA-N 0 0 544.124 6.156 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000164567632 571549991 /nfs/dbraw/zinc/54/99/91/571549991.db2.gz JJDWEWXZTMFNBZ-UHAPOFRNSA-N 0 0 647.757 5.815 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164814903 571551282 /nfs/dbraw/zinc/55/12/82/571551282.db2.gz FLAGCMSFMPQVQX-UHFFFAOYSA-N 0 0 709.005 7.897 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224462153 571551432 /nfs/dbraw/zinc/55/14/32/571551432.db2.gz NZXYQYKCSMENAO-FQLXRVMXSA-N 0 0 509.078 7.473 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224462198 571551593 /nfs/dbraw/zinc/55/15/93/571551593.db2.gz NZXYQYKCSMENAO-WDYNHAJCSA-N 0 0 509.078 7.473 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224465138 571552214 /nfs/dbraw/zinc/55/22/14/571552214.db2.gz NEEDDSDLMRHJLQ-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224465464 571552269 /nfs/dbraw/zinc/55/22/69/571552269.db2.gz IJSAHNSJOXVWKT-DQEYMECFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224466844 571552606 /nfs/dbraw/zinc/55/26/06/571552606.db2.gz ZQGALMHYPJGZRQ-SVBPBHIXSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224467380 571552726 /nfs/dbraw/zinc/55/27/26/571552726.db2.gz IUHULLMCTHIMPJ-DQEYMECFSA-N 0 0 527.908 7.626 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224467337 571552771 /nfs/dbraw/zinc/55/27/71/571552771.db2.gz IUHULLMCTHIMPJ-LOSJGSFVSA-N 0 0 527.908 7.626 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000167087543 571552794 /nfs/dbraw/zinc/55/27/94/571552794.db2.gz SHHYUDJFLFQNER-ACJNQYEBSA-N 0 0 509.650 5.304 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224469055 571553152 /nfs/dbraw/zinc/55/31/52/571553152.db2.gz PYSAOCSQKZKBDL-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224468823 571553182 /nfs/dbraw/zinc/55/31/82/571553182.db2.gz ODKMPZAQJWJQJN-IXCJQBJRSA-N 0 0 501.099 7.245 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224469573 571553226 /nfs/dbraw/zinc/55/32/26/571553226.db2.gz MTIVDGDQFKVHTQ-FTJBHMTQSA-N 0 0 507.490 7.281 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224481606 571556206 /nfs/dbraw/zinc/55/62/06/571556206.db2.gz XLYSVHDZCOEWEI-FTJBHMTQSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1 ZINC000223822189 571556300 /nfs/dbraw/zinc/55/63/00/571556300.db2.gz YGFLVBDPTQNTGS-PQHLKRTFSA-N 0 0 510.707 6.990 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223822267 571556324 /nfs/dbraw/zinc/55/63/24/571556324.db2.gz ONJWIGLADNVUOS-NSOVKSMOSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223823872 571556605 /nfs/dbraw/zinc/55/66/05/571556605.db2.gz MLLIYNLRWRZOQD-IZLXSDGUSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223823731 571556680 /nfs/dbraw/zinc/55/66/80/571556680.db2.gz RRQURWNNUWVKCJ-VSGBNLITSA-N 0 0 533.097 6.727 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224485384 571557379 /nfs/dbraw/zinc/55/73/79/571557379.db2.gz YUJYEXICDCVNQH-URLMMPGGSA-N 0 0 588.575 6.265 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000169684221 571558283 /nfs/dbraw/zinc/55/82/83/571558283.db2.gz JVIKEENCFNEITG-SDHSZQHLSA-N 0 0 507.929 5.188 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224489778 571558537 /nfs/dbraw/zinc/55/85/37/571558537.db2.gz IZNSYWBXUQADEF-RPBOFIJWSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C ZINC000224494022 571559597 /nfs/dbraw/zinc/55/95/97/571559597.db2.gz ADKSWPDGXSLKMD-UIOOFZCWSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl ZINC000224495785 571560083 /nfs/dbraw/zinc/56/00/83/571560083.db2.gz QFNGNMMWFXTXPX-LOSJGSFVSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000224495627 571560085 /nfs/dbraw/zinc/56/00/85/571560085.db2.gz ZEWYHOKPSNLAKN-DQEYMECFSA-N 0 0 521.459 6.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1O ZINC000224496933 571560367 /nfs/dbraw/zinc/56/03/67/571560367.db2.gz PXYMLGVVRPUHID-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223845181 571560451 /nfs/dbraw/zinc/56/04/51/571560451.db2.gz RILOOQFOXJAEPU-RPBOFIJWSA-N 0 0 508.569 6.391 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224498854 571560986 /nfs/dbraw/zinc/56/09/86/571560986.db2.gz IJFCFLYLUVBGRR-DQEYMECFSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224498977 571560997 /nfs/dbraw/zinc/56/09/97/571560997.db2.gz BPHUXLKVTMSLCC-RPBOFIJWSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224499981 571561207 /nfs/dbraw/zinc/56/12/07/571561207.db2.gz ONLBIOXZAZPZMX-CLJLJLNGSA-N 0 0 547.478 6.157 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 ZINC000224501391 571561564 /nfs/dbraw/zinc/56/15/64/571561564.db2.gz AFESRQKWUGWPMY-UIOOFZCWSA-N 0 0 578.492 6.346 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224501126 571561585 /nfs/dbraw/zinc/56/15/85/571561585.db2.gz OJYCRWPERQVXNQ-IZZNHLLZSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224501594 571561720 /nfs/dbraw/zinc/56/17/20/571561720.db2.gz YXKWSZVWIALWLN-UIOOFZCWSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Br ZINC000223858417 571562873 /nfs/dbraw/zinc/56/28/73/571562873.db2.gz OBNGWNAEPXIGEM-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223863606 571563907 /nfs/dbraw/zinc/56/39/07/571563907.db2.gz AOOJBGPWKKATCE-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223863842 571563970 /nfs/dbraw/zinc/56/39/70/571563970.db2.gz RFMXGKOJQABNTC-UIOOFZCWSA-N 0 0 515.595 5.289 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224515685 571564387 /nfs/dbraw/zinc/56/43/87/571564387.db2.gz CIHFARVMCPOTMC-CLJLJLNGSA-N 0 0 561.505 6.215 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224520548 571565272 /nfs/dbraw/zinc/56/52/72/571565272.db2.gz JXEGWSWTSANOKO-UHFFFAOYSA-N 0 0 544.515 5.115 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000197908122 571566030 /nfs/dbraw/zinc/56/60/30/571566030.db2.gz HMXGIRIUJISCME-ASZNLBCTSA-N 0 0 572.528 5.156 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224532382 571567952 /nfs/dbraw/zinc/56/79/52/571567952.db2.gz FRLWJUNWBMJTIZ-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224532815 571568034 /nfs/dbraw/zinc/56/80/34/571568034.db2.gz CHZABYHNRJRVDZ-CLJLJLNGSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224536482 571569134 /nfs/dbraw/zinc/56/91/34/571569134.db2.gz YBHDAYXYKJCPAS-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1Br ZINC000223896778 571570196 /nfs/dbraw/zinc/57/01/96/571570196.db2.gz MJJUFQNGPPPMRS-SVBPBHIXSA-N 0 0 546.538 6.495 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000223896912 571570307 /nfs/dbraw/zinc/57/03/07/571570307.db2.gz XJXNFKNCVHOQHF-SXOMAYOGSA-N 0 0 546.538 6.495 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223901853 571571260 /nfs/dbraw/zinc/57/12/60/571571260.db2.gz NMFUENKYSKNOSV-NSOVKSMOSA-N 0 0 542.665 5.649 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000223901923 571571294 /nfs/dbraw/zinc/57/12/94/571571294.db2.gz NBMWFGQQBHKEEX-VSGBNLITSA-N 0 0 516.114 6.694 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000205909288 571572035 /nfs/dbraw/zinc/57/20/35/571572035.db2.gz YLTMUOJAMOJHQR-ZMOGYAJESA-N 0 0 562.519 6.077 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C ZINC000224551521 571572699 /nfs/dbraw/zinc/57/26/99/571572699.db2.gz HCXBUQTVNIVKNG-SVBPBHIXSA-N 0 0 512.635 5.461 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000206912032 571573058 /nfs/dbraw/zinc/57/30/58/571573058.db2.gz OBJXHAOGUPGBTI-MTJSOVHGSA-N 0 0 533.433 6.258 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000206907307 571573069 /nfs/dbraw/zinc/57/30/69/571573069.db2.gz FISKEUPAFQHPJB-UCQKPKSFSA-N 0 0 525.051 5.782 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000206882722 571573079 /nfs/dbraw/zinc/57/30/79/571573079.db2.gz NVRXEJNEJUIAIV-HYARGMPZSA-N 0 0 511.024 5.474 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000206939089 571573090 /nfs/dbraw/zinc/57/30/90/571573090.db2.gz HAKOREAKMLOMHS-SXGWCWSVSA-N 0 0 529.275 5.678 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000206907987 571573093 /nfs/dbraw/zinc/57/30/93/571573093.db2.gz JRQHBNHWAFYAEJ-CIAFOILYSA-N 0 0 624.365 6.890 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325399 571573851 /nfs/dbraw/zinc/57/38/51/571573851.db2.gz FXLXEEHOOIKUGP-NSTHGIQOSA-N 0 0 512.075 6.436 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000208354828 571573852 /nfs/dbraw/zinc/57/38/52/571573852.db2.gz PTGHSPWXNCUHPD-ALUWMOPFSA-N 0 0 654.558 5.125 40 10 KKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325964 571573853 /nfs/dbraw/zinc/57/38/53/571573853.db2.gz SLKUUSNECQPCBI-PUDRWSQFSA-N 0 0 505.684 6.399 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000208380761 571574168 /nfs/dbraw/zinc/57/41/68/571574168.db2.gz BRAHDCWTFPYURP-PLNPHXOGSA-N 0 0 607.707 5.491 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc21 ZINC000208468449 571574513 /nfs/dbraw/zinc/57/45/13/571574513.db2.gz JUGMAAZTUWQWHQ-FBHDLOMBSA-N 0 0 560.901 6.409 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000208655569 571574831 /nfs/dbraw/zinc/57/48/31/571574831.db2.gz PGLPTWJVTUQWDP-CFRMEGHHSA-N 0 0 574.602 7.827 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208656220 571574834 /nfs/dbraw/zinc/57/48/34/571574834.db2.gz ZJXIXSITTTXYJW-MTJSOVHGSA-N 0 0 575.437 6.490 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000208668617 571574959 /nfs/dbraw/zinc/57/49/59/571574959.db2.gz UNBVKEYTAXEACS-FMCGGJTJSA-N 0 0 534.461 7.516 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208716696 571575079 /nfs/dbraw/zinc/57/50/79/571575079.db2.gz LHIQJKCGLHXMAE-MIXAMLLLSA-N 0 0 612.570 8.749 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208715243 571575083 /nfs/dbraw/zinc/57/50/83/571575083.db2.gz ZVFDOEBFFNVBFB-XYGWBWBKSA-N 0 0 568.558 7.724 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000208707137 571575099 /nfs/dbraw/zinc/57/50/99/571575099.db2.gz PCKVWFMABWNLFU-NVMNQCDNSA-N 0 0 547.323 6.955 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208726780 571575100 /nfs/dbraw/zinc/57/51/00/571575100.db2.gz OQRCFOWTIHRRBP-QFEZKATASA-N 0 0 596.955 8.249 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)cc21 ZINC000223922476 571575921 /nfs/dbraw/zinc/57/59/21/571575921.db2.gz YKDOBJKMDIEDGV-FQLXRVMXSA-N 0 0 525.722 5.727 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000224567968 571576375 /nfs/dbraw/zinc/57/63/75/571576375.db2.gz DOYFDYLQYSZRSD-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000224567805 571576381 /nfs/dbraw/zinc/57/63/81/571576381.db2.gz HVMNYVMWSYZVMW-IZZNHLLZSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000224571956 571577384 /nfs/dbraw/zinc/57/73/84/571577384.db2.gz NJSIFIFPJRYGIJ-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C ZINC000223931458 571577844 /nfs/dbraw/zinc/57/78/44/571577844.db2.gz GVASQPABYYJEMW-KYJUHHDHSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 ZINC000223931128 571577866 /nfs/dbraw/zinc/57/78/66/571577866.db2.gz SUZQEDAJRGXTGQ-WDYNHAJCSA-N 0 0 509.679 5.503 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214148689 571577903 /nfs/dbraw/zinc/57/79/03/571577903.db2.gz OFQIDFIPVWYDAK-LGJNPRDNSA-N 0 0 575.945 8.309 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000223931906 571577944 /nfs/dbraw/zinc/57/79/44/571577944.db2.gz LEMQRTKFFDOVON-XZWHSSHBSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000223931795 571577994 /nfs/dbraw/zinc/57/79/94/571577994.db2.gz LEMQRTKFFDOVON-LOYHVIPDSA-N 0 0 523.706 5.811 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223932441 571578009 /nfs/dbraw/zinc/57/80/09/571578009.db2.gz RVCDWZMTPKMVNQ-CONSDPRKSA-N 0 0 537.733 6.065 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223933889 571578220 /nfs/dbraw/zinc/57/82/20/571578220.db2.gz FJBZOXUMXXFMSW-VMPREFPWSA-N 0 0 544.124 6.156 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214297723 571578441 /nfs/dbraw/zinc/57/84/41/571578441.db2.gz RKUJCEDGTHTCKD-ZMOGYAJESA-N 0 0 578.518 5.314 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000223934916 571578599 /nfs/dbraw/zinc/57/85/99/571578599.db2.gz MNIILQPJYHHINU-VMPREFPWSA-N 0 0 588.575 6.265 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223937072 571578996 /nfs/dbraw/zinc/57/89/96/571578996.db2.gz GTOJPIQXPKKINJ-LQJZCPKCSA-N 0 0 580.802 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000223937658 571579134 /nfs/dbraw/zinc/57/91/34/571579134.db2.gz OWQAUEBIJTYXRQ-FIRIVFDPSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000223937969 571579172 /nfs/dbraw/zinc/57/91/72/571579172.db2.gz LHLDCLZMUHIPMR-JSOSNVBQSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223938598 571579337 /nfs/dbraw/zinc/57/93/37/571579337.db2.gz UMQKAUPPLBCECB-CONSDPRKSA-N 0 0 537.733 6.120 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223938975 571579450 /nfs/dbraw/zinc/57/94/50/571579450.db2.gz ODJDBXKFFMDPPI-BHYZAODMSA-N 0 0 551.760 6.428 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223939315 571579475 /nfs/dbraw/zinc/57/94/75/571579475.db2.gz FQKLQSMMQXSRHL-KYJUHHDHSA-N 0 0 558.151 6.465 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000223939801 571579573 /nfs/dbraw/zinc/57/95/73/571579573.db2.gz REBFDMDIELTQKL-KYJUHHDHSA-N 0 0 584.702 5.420 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223939485 571579665 /nfs/dbraw/zinc/57/96/65/571579665.db2.gz IMGHVWVRVUBQPU-XZWHSSHBSA-N 0 0 584.702 5.420 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940795 571579878 /nfs/dbraw/zinc/57/98/78/571579878.db2.gz XJAYOELTTGJRIU-KYJUHHDHSA-N 0 0 584.702 5.420 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223940930 571579896 /nfs/dbraw/zinc/57/98/96/571579896.db2.gz NQZIVTYOYMPMNU-BHYZAODMSA-N 0 0 551.760 6.374 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000223955862 571583249 /nfs/dbraw/zinc/58/32/49/571583249.db2.gz NPCQUGJKVNYJHQ-LOYHVIPDSA-N 0 0 567.715 5.289 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000215211318 571583856 /nfs/dbraw/zinc/58/38/56/571583856.db2.gz BLBLOILLKXZFHJ-LUOAPIJWSA-N 0 0 639.086 6.077 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223961242 571584408 /nfs/dbraw/zinc/58/44/08/571584408.db2.gz STWAFYAHTFOEKU-RRPNLBNLSA-N 0 0 549.622 6.643 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224604116 571584798 /nfs/dbraw/zinc/58/47/98/571584798.db2.gz MRLQQKFUNPHZMV-RPBOFIJWSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224606178 571585058 /nfs/dbraw/zinc/58/50/58/571585058.db2.gz SRIOLSVZWUILHZ-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224606225 571585088 /nfs/dbraw/zinc/58/50/88/571585088.db2.gz SRIOLSVZWUILHZ-RPBOFIJWSA-N 0 0 509.462 6.679 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1 ZINC000223966768 571585267 /nfs/dbraw/zinc/58/52/67/571585267.db2.gz RFVRBDDSXOJZCO-SVBPBHIXSA-N 0 0 532.069 5.984 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609033 571585853 /nfs/dbraw/zinc/58/58/53/571585853.db2.gz HYNNOHSSGLHXLS-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223974820 571586901 /nfs/dbraw/zinc/58/69/01/571586901.db2.gz CEQJHTUEVSMVID-RRPNLBNLSA-N 0 0 516.070 6.278 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977710 571587459 /nfs/dbraw/zinc/58/74/59/571587459.db2.gz VEFIFJCABCWLMN-CONSDPRKSA-N 0 0 552.748 6.471 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223977483 571587484 /nfs/dbraw/zinc/58/74/84/571587484.db2.gz AYQULMSDNFJAED-FQLXRVMXSA-N 0 0 524.694 5.691 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223977838 571587675 /nfs/dbraw/zinc/58/76/75/571587675.db2.gz BVJYKOVXBSYCMT-SXOMAYOGSA-N 0 0 550.515 6.931 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000223979726 571587925 /nfs/dbraw/zinc/58/79/25/571587925.db2.gz UTBIMLGNBDTCTG-NSOVKSMOSA-N 0 0 530.097 6.586 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981199 571588275 /nfs/dbraw/zinc/58/82/75/571588275.db2.gz UNJINYNMMWIVOK-IZLXSDGUSA-N 0 0 556.648 5.541 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1C ZINC000223981250 571588295 /nfs/dbraw/zinc/58/82/95/571588295.db2.gz UNJINYNMMWIVOK-WUFINQPMSA-N 0 0 556.648 5.541 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000224629531 571590483 /nfs/dbraw/zinc/59/04/83/571590483.db2.gz IDJYYQPWOFKOPG-XZWHSSHBSA-N 0 0 517.658 6.854 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000224635538 571591564 /nfs/dbraw/zinc/59/15/64/571591564.db2.gz VCPRCHDEDHKMAH-ACHIHNKUSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224636043 571591771 /nfs/dbraw/zinc/59/17/71/571591771.db2.gz BSGQGIJDCDSKOZ-IOWSJCHKSA-N 0 0 584.667 8.477 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224636469 571592008 /nfs/dbraw/zinc/59/20/08/571592008.db2.gz KODZNWLNPLSXLD-LQJZCPKCSA-N 0 0 544.724 8.021 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000224638702 571592512 /nfs/dbraw/zinc/59/25/12/571592512.db2.gz PEFQRCDXQFQEPW-AJQTZOPKSA-N 0 0 546.696 7.467 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639996 571592849 /nfs/dbraw/zinc/59/28/49/571592849.db2.gz KZVWHZLZKIIMBY-PXLJZGITSA-N 0 0 587.793 8.305 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224640520 571593020 /nfs/dbraw/zinc/59/30/20/571593020.db2.gz MHJDUXZJPWIZRY-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224001884 571593149 /nfs/dbraw/zinc/59/31/49/571593149.db2.gz KXWPWTHFSGHHKH-IHLOFXLRSA-N 0 0 553.688 5.232 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224640880 571593171 /nfs/dbraw/zinc/59/31/71/571593171.db2.gz KQYCFTBZQYSOGA-ZQWAWDFXSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224641094 571593206 /nfs/dbraw/zinc/59/32/06/571593206.db2.gz VRYJGICUTCYJQJ-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642055 571593332 /nfs/dbraw/zinc/59/33/32/571593332.db2.gz OQUUYVWAZIBUQX-AJQTZOPKSA-N 0 0 591.693 7.375 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224643243 571593480 /nfs/dbraw/zinc/59/34/80/571593480.db2.gz ZJLFXWXDYAXDSL-ZFEZZJPFSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224643845 571593607 /nfs/dbraw/zinc/59/36/07/571593607.db2.gz NCIJRWKUSLJSRI-FIRIVFDPSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc21 ZINC000224010741 571594911 /nfs/dbraw/zinc/59/49/11/571594911.db2.gz BXCOIPQHOCBALT-KYJUHHDHSA-N 0 0 518.642 6.548 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(F)(F)F ZINC000224012250 571595054 /nfs/dbraw/zinc/59/50/54/571595054.db2.gz SFZGPMWLWBKTIZ-CLJLJLNGSA-N 0 0 536.579 6.414 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 ZINC000224014818 571595483 /nfs/dbraw/zinc/59/54/83/571595483.db2.gz UDLWCNSAGZGGGJ-UIOOFZCWSA-N 0 0 547.478 6.157 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224016861 571595931 /nfs/dbraw/zinc/59/59/31/571595931.db2.gz KLSRDIJKCHZTSJ-IZLXSDGUSA-N 0 0 511.651 5.461 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224018652 571596223 /nfs/dbraw/zinc/59/62/23/571596223.db2.gz REYCSMNPVOHCHI-KAYWLYCHSA-N 0 0 512.591 5.124 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1C ZINC000224019951 571596345 /nfs/dbraw/zinc/59/63/45/571596345.db2.gz PZRKCZXILLYDMR-SVBPBHIXSA-N 0 0 517.054 6.357 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020307 571596591 /nfs/dbraw/zinc/59/65/91/571596591.db2.gz ZFOGSAJOSUTBJS-SXOMAYOGSA-N 0 0 533.053 6.057 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224660082 571597599 /nfs/dbraw/zinc/59/75/99/571597599.db2.gz CMUJTKBVEWZIAI-LQFQNGICSA-N 0 0 615.803 7.604 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224035791 571599403 /nfs/dbraw/zinc/59/94/03/571599403.db2.gz VTRPQNMPQSKONY-RRPNLBNLSA-N 0 0 526.618 5.182 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224035970 571599555 /nfs/dbraw/zinc/59/95/55/571599555.db2.gz YLWNLXORISTCEN-SXOMAYOGSA-N 0 0 526.618 5.182 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224669836 571599579 /nfs/dbraw/zinc/59/95/79/571599579.db2.gz OEOGSKCMUPRAHG-NOCHOARKSA-N 0 0 558.751 8.329 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224669927 571599588 /nfs/dbraw/zinc/59/95/88/571599588.db2.gz OEOGSKCMUPRAHG-HEVIKAOCSA-N 0 0 558.751 8.329 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224671647 571599887 /nfs/dbraw/zinc/59/98/87/571599887.db2.gz LKEJZTVETHKERM-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673494 571600386 /nfs/dbraw/zinc/60/03/86/571600386.db2.gz OVBXXYZEHGKDKK-XDSPJLLDSA-N 0 0 601.820 8.613 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1Cl ZINC000224042032 571600737 /nfs/dbraw/zinc/60/07/37/571600737.db2.gz AWRDEDZDAMUUIH-IZLXSDGUSA-N 0 0 549.140 6.569 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224677007 571601215 /nfs/dbraw/zinc/60/12/15/571601215.db2.gz IKKCHVFESCEFQH-AJQTZOPKSA-N 0 0 545.712 7.470 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224049860 571602045 /nfs/dbraw/zinc/60/20/45/571602045.db2.gz UCVWHDRYYAKJAN-ACHIHNKUSA-N 0 0 583.157 7.498 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000224051183 571602317 /nfs/dbraw/zinc/60/23/17/571602317.db2.gz WYXFOKTULUEMRV-FQLXRVMXSA-N 0 0 547.124 6.653 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224053236 571602647 /nfs/dbraw/zinc/60/26/47/571602647.db2.gz ATVHLDOHSGUQKX-IZLXSDGUSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224053445 571602670 /nfs/dbraw/zinc/60/26/70/571602670.db2.gz KIBJQSHOTTZKQE-IZLXSDGUSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224053277 571602677 /nfs/dbraw/zinc/60/26/77/571602677.db2.gz ATVHLDOHSGUQKX-WUFINQPMSA-N 0 0 567.542 6.998 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000224054241 571602820 /nfs/dbraw/zinc/60/28/20/571602820.db2.gz VDRLUNRMOZPFMD-WUFINQPMSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224053892 571602853 /nfs/dbraw/zinc/60/28/53/571602853.db2.gz RXHLBBWOTQLOGK-NSOVKSMOSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl ZINC000224053691 571602870 /nfs/dbraw/zinc/60/28/70/571602870.db2.gz SWARVDXRQVZTNI-IZLXSDGUSA-N 0 0 611.993 7.107 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000224054822 571602958 /nfs/dbraw/zinc/60/29/58/571602958.db2.gz YCTKFEPGCSGKBV-VMPREFPWSA-N 0 0 563.123 6.353 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1Cl ZINC000224054366 571602987 /nfs/dbraw/zinc/60/29/87/571602987.db2.gz BUBCNLWDIGQNGZ-NSOVKSMOSA-N 0 0 549.096 6.050 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056398 571603300 /nfs/dbraw/zinc/60/33/00/571603300.db2.gz QOLTUCYZQHZMCS-ACHIHNKUSA-N 0 0 604.220 7.191 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224056094 571603309 /nfs/dbraw/zinc/60/33/09/571603309.db2.gz TVRZMBFGJRFQBQ-XZWHSSHBSA-N 0 0 576.166 6.411 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl ZINC000224058485 571603918 /nfs/dbraw/zinc/60/39/18/571603918.db2.gz NWMGHIZCRAMJIU-URLMMPGGSA-N 0 0 581.569 7.307 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224059087 571604054 /nfs/dbraw/zinc/60/40/54/571604054.db2.gz VCSRMKADDSFTBA-VMPREFPWSA-N 0 0 581.569 7.307 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000224059196 571604105 /nfs/dbraw/zinc/60/41/05/571604105.db2.gz VCSRMKADDSFTBA-URLMMPGGSA-N 0 0 581.569 7.307 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000224060746 571604552 /nfs/dbraw/zinc/60/45/52/571604552.db2.gz PIHPYUDPBMSAMV-NSOVKSMOSA-N 0 0 548.112 6.048 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000224060577 571604578 /nfs/dbraw/zinc/60/45/78/571604578.db2.gz SAXIEEQUVFBLLV-SXOMAYOGSA-N 0 0 548.112 6.048 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224690227 571605055 /nfs/dbraw/zinc/60/50/55/571605055.db2.gz WMMKLJHSOXRTPP-JHOUSYSJSA-N 0 0 588.733 7.554 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224694279 571605855 /nfs/dbraw/zinc/60/58/55/571605855.db2.gz AQTULHKAIBQVIH-LQFQNGICSA-N 0 0 615.803 7.604 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224698835 571606436 /nfs/dbraw/zinc/60/64/36/571606436.db2.gz HUAJNGHJFNGZEU-ROJLCIKYSA-N 0 0 581.141 8.126 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C ZINC000224702989 571606786 /nfs/dbraw/zinc/60/67/86/571606786.db2.gz ZIBDMEYSEFBICX-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1Cl ZINC000224075025 571606848 /nfs/dbraw/zinc/60/68/48/571606848.db2.gz MVAWDUXXOKGLDM-VMPREFPWSA-N 0 0 591.133 6.131 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224702108 571606851 /nfs/dbraw/zinc/60/68/51/571606851.db2.gz WDJBUJUYHFUOPE-LQFQNGICSA-N 0 0 580.757 8.920 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224703480 571606907 /nfs/dbraw/zinc/60/69/07/571606907.db2.gz HPDXTQJKEPCPHZ-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224704505 571606913 /nfs/dbraw/zinc/60/69/13/571606913.db2.gz HTZSLIBTBIUDRI-ACHIHNKUSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224704354 571606949 /nfs/dbraw/zinc/60/69/49/571606949.db2.gz HTZSLIBTBIUDRI-ROJLCIKYSA-N 0 0 548.687 7.906 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224080016 571607171 /nfs/dbraw/zinc/60/71/71/571607171.db2.gz DTOLXXDMSBJKGY-VMPREFPWSA-N 0 0 591.703 7.588 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NC(=O)C(C)C ZINC000224081111 571607264 /nfs/dbraw/zinc/60/72/64/571607264.db2.gz ZMFIJKHRSOWGKU-WDYNHAJCSA-N 0 0 539.749 6.793 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224708459 571607394 /nfs/dbraw/zinc/60/73/94/571607394.db2.gz FMFVTDNEIKXMHJ-KKLWWLSJSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cccc1C ZINC000224708654 571607497 /nfs/dbraw/zinc/60/74/97/571607497.db2.gz WFGOHNWEKBPQJE-ZFEZZJPFSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224709487 571607693 /nfs/dbraw/zinc/60/76/93/571607693.db2.gz TXUBIZGPDXZTQQ-SAIUNTKASA-N 0 0 579.169 8.729 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224709335 571607743 /nfs/dbraw/zinc/60/77/43/571607743.db2.gz SXXLDJBBMOBYLP-QWOOXDRHSA-N 0 0 572.778 8.692 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224085127 571607994 /nfs/dbraw/zinc/60/79/94/571607994.db2.gz QZJFMUDLMBAJAN-URLMMPGGSA-N 0 0 574.150 6.928 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ncccc1C ZINC000224711287 571608129 /nfs/dbraw/zinc/60/81/29/571608129.db2.gz UXIVVEJIHQJQIP-FIRIVFDPSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224711225 571608151 /nfs/dbraw/zinc/60/81/51/571608151.db2.gz ZELIJYJVAQGNRS-ACHIHNKUSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224088828 571608319 /nfs/dbraw/zinc/60/83/19/571608319.db2.gz RVMOWQVEHAUKMW-LQJZCPKCSA-N 0 0 573.766 7.722 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224090895 571608595 /nfs/dbraw/zinc/60/85/95/571608595.db2.gz KWSSZTPFBRDVME-CONSDPRKSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000224091309 571608634 /nfs/dbraw/zinc/60/86/34/571608634.db2.gz YTZWZJKIMXTKFH-URLMMPGGSA-N 0 0 541.696 6.708 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224093403 571608948 /nfs/dbraw/zinc/60/89/48/571608948.db2.gz DAANDPXPULAMOE-URLMMPGGSA-N 0 0 539.705 6.275 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224093349 571608954 /nfs/dbraw/zinc/60/89/54/571608954.db2.gz DAANDPXPULAMOE-WDYNHAJCSA-N 0 0 539.705 6.275 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094986 571609164 /nfs/dbraw/zinc/60/91/64/571609164.db2.gz PJZOCLCQPJHELY-JHOUSYSJSA-N 0 0 594.829 7.415 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cccc1C ZINC000224096198 571609315 /nfs/dbraw/zinc/60/93/15/571609315.db2.gz JQJZONHWOOGAOI-SMCANUKXSA-N 0 0 551.760 7.186 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224096843 571609517 /nfs/dbraw/zinc/60/95/17/571609517.db2.gz CXHJUDKGZCLFJC-XDFJSJKPSA-N 0 0 565.787 7.494 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cc2)cc1 ZINC000224728236 571611678 /nfs/dbraw/zinc/61/16/78/571611678.db2.gz KEDVYRCIKDKHJE-ACHIHNKUSA-N 0 0 614.693 8.486 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C)c3C)cc2)cc1 ZINC000224737121 571612495 /nfs/dbraw/zinc/61/24/95/571612495.db2.gz PJNHJWVAUGGIGC-LQJZCPKCSA-N 0 0 560.723 7.776 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(F)c4)c3C)cc2)cc1 ZINC000224738524 571612605 /nfs/dbraw/zinc/61/26/05/571612605.db2.gz OXDDYRIGBOMJKK-ZWXJPIIXSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(F)c4)c3C)cc2)cc1 ZINC000224738569 571612623 /nfs/dbraw/zinc/61/26/23/571612623.db2.gz OXDDYRIGBOMJKK-AJQTZOPKSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4F)c3C)cc2)cc1 ZINC000224738284 571612624 /nfs/dbraw/zinc/61/26/24/571612624.db2.gz HHOLUBZOMODJLV-ACHIHNKUSA-N 0 0 564.686 7.606 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224738169 571612626 /nfs/dbraw/zinc/61/26/26/571612626.db2.gz BGYSEHXQUKPRKC-SZAHLOSFSA-N 0 0 574.750 8.030 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4Cl)c3C)cc2)cc1 ZINC000224739024 571612636 /nfs/dbraw/zinc/61/26/36/571612636.db2.gz RLEKBGCGXQHMFO-ROJLCIKYSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 ZINC000224739342 571612654 /nfs/dbraw/zinc/61/26/54/571612654.db2.gz UVIYIWKRBWBHFI-ZWXJPIIXSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4Cl)c3C)cc2)cc1 ZINC000224738975 571612655 /nfs/dbraw/zinc/61/26/55/571612655.db2.gz RLEKBGCGXQHMFO-AJQTZOPKSA-N 0 0 581.141 8.121 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)cc1 ZINC000224739847 571612702 /nfs/dbraw/zinc/61/27/02/571612702.db2.gz CTSVJYUQZKKZGH-ROJLCIKYSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(OC)cc4)c3C)cc2)cc1 ZINC000224741357 571612833 /nfs/dbraw/zinc/61/28/33/571612833.db2.gz AVGVOXUXWDWWFQ-CZNDPXEESA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)cc2)cc1 ZINC000224743990 571613015 /nfs/dbraw/zinc/61/30/15/571613015.db2.gz LFERUUZJCYGQOT-QWOOXDRHSA-N 0 0 588.777 8.392 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)cc2)cc1 ZINC000224744344 571613101 /nfs/dbraw/zinc/61/31/01/571613101.db2.gz YNCASXIDUACULL-SAIUNTKASA-N 0 0 621.719 7.384 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000224758321 571614432 /nfs/dbraw/zinc/61/44/32/571614432.db2.gz BXCYINGHWHAMSS-JHOUSYSJSA-N 0 0 604.732 7.254 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c1 ZINC000224758156 571614447 /nfs/dbraw/zinc/61/44/47/571614447.db2.gz COWWLEOTOMUBCB-LQJZCPKCSA-N 0 0 604.732 7.254 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 ZINC000224765449 571615095 /nfs/dbraw/zinc/61/50/95/571615095.db2.gz IAANDZKLONLXQB-KYJUHHDHSA-N 0 0 578.723 7.121 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224772202 571615632 /nfs/dbraw/zinc/61/56/32/571615632.db2.gz MKXHXBUULYVZSW-JHOUSYSJSA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224771934 571615642 /nfs/dbraw/zinc/61/56/42/571615642.db2.gz FZCMNQLVWGIURY-JSOSNVBQSA-N 0 0 645.732 8.744 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224773318 571615810 /nfs/dbraw/zinc/61/58/10/571615810.db2.gz KHOAXUDOJYGHEE-FIRIVFDPSA-N 0 0 612.180 8.379 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224774873 571615912 /nfs/dbraw/zinc/61/59/12/571615912.db2.gz CDJFNQIHQOVYAF-AJQTZOPKSA-N 0 0 607.761 7.734 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224775859 571616003 /nfs/dbraw/zinc/61/60/03/571616003.db2.gz FSIROQRZXKAYRF-SAIUNTKASA-N 0 0 620.804 7.792 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C)c1C ZINC000224776704 571616053 /nfs/dbraw/zinc/61/60/53/571616053.db2.gz DQOSOUFEGCMBCE-JHOUSYSJSA-N 0 0 605.789 8.342 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224776557 571616074 /nfs/dbraw/zinc/61/60/74/571616074.db2.gz RWOXRYQYGGJFSC-CONSDPRKSA-N 0 0 646.625 9.032 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224779121 571616260 /nfs/dbraw/zinc/61/62/60/571616260.db2.gz LUDBYWZPPIITPD-ACHIHNKUSA-N 0 0 652.758 7.642 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000224791513 571617465 /nfs/dbraw/zinc/61/74/65/571617465.db2.gz UQTKCCGWQANFAZ-CONSDPRKSA-N 0 0 593.734 7.426 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000224791819 571617525 /nfs/dbraw/zinc/61/75/25/571617525.db2.gz BBMKYPCOOQYXAB-ZWXJPIIXSA-N 0 0 635.771 7.512 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(OC)c1 ZINC000224796303 571617979 /nfs/dbraw/zinc/61/79/79/571617979.db2.gz LEVDNLYOSLGWAU-FIRIVFDPSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c(OC)c1 ZINC000224800511 571618403 /nfs/dbraw/zinc/61/84/03/571618403.db2.gz WRDHZRMLJPDZGD-SVBPBHIXSA-N 0 0 535.069 6.042 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224805360 571618795 /nfs/dbraw/zinc/61/87/95/571618795.db2.gz PTEWROIQUTVUJJ-URLMMPGGSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c(OC)c1 ZINC000224805905 571618843 /nfs/dbraw/zinc/61/88/43/571618843.db2.gz HUDGZOORLMMLJH-SVBPBHIXSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000224806252 571618870 /nfs/dbraw/zinc/61/88/70/571618870.db2.gz NBRDXYPZLCJUJS-KAYWLYCHSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224808273 571619034 /nfs/dbraw/zinc/61/90/34/571619034.db2.gz MSSUMEJDPAGMIZ-NSOVKSMOSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 ZINC000224809526 571619220 /nfs/dbraw/zinc/61/92/20/571619220.db2.gz OYGCRCYQNVLMQE-SVBPBHIXSA-N 0 0 553.515 6.990 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c(OC)c1 ZINC000224809864 571619226 /nfs/dbraw/zinc/61/92/26/571619226.db2.gz RAEBGUUDZCTBGC-FQLXRVMXSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 ZINC000224810554 571619282 /nfs/dbraw/zinc/61/92/82/571619282.db2.gz ORZMPTAXXYJGRS-NSOVKSMOSA-N 0 0 528.634 5.412 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(OC)c1 ZINC000224811622 571619409 /nfs/dbraw/zinc/61/94/09/571619409.db2.gz ASPILAFZBUKPQJ-WUFINQPMSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(OC)c1 ZINC000224812010 571619423 /nfs/dbraw/zinc/61/94/23/571619423.db2.gz QMQUIRYMLDICOI-WUFINQPMSA-N 0 0 549.096 6.345 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1C ZINC000224812324 571619463 /nfs/dbraw/zinc/61/94/63/571619463.db2.gz DLVBKEAYJRGNNZ-PQHLKRTFSA-N 0 0 526.706 6.554 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)c1 ZINC000224824504 571620666 /nfs/dbraw/zinc/62/06/66/571620666.db2.gz JMONUKSXYDTUCV-VSGBNLITSA-N 0 0 542.661 5.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224825028 571620739 /nfs/dbraw/zinc/62/07/39/571620739.db2.gz GPDJELNRBAMGMX-NSOVKSMOSA-N 0 0 542.661 5.470 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000224828860 571621062 /nfs/dbraw/zinc/62/10/62/571621062.db2.gz FLZYQNKVRLVCDM-SXOMAYOGSA-N 0 0 552.622 6.702 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)c1C ZINC000224838119 571622013 /nfs/dbraw/zinc/62/20/13/571622013.db2.gz SWYUPKSBQZKWLZ-WDYNHAJCSA-N 0 0 512.679 6.246 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1 ZINC000224838757 571622111 /nfs/dbraw/zinc/62/21/11/571622111.db2.gz QVSKLEBFWQKDOX-RRPNLBNLSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1 ZINC000224839052 571622114 /nfs/dbraw/zinc/62/21/14/571622114.db2.gz JHYNIGLWNXSIGH-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000224840036 571622235 /nfs/dbraw/zinc/62/22/35/571622235.db2.gz JIQQIQBKHRDYGD-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224839929 571622270 /nfs/dbraw/zinc/62/22/70/571622270.db2.gz FJQJTMOVXBUVHY-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224840794 571622329 /nfs/dbraw/zinc/62/23/29/571622329.db2.gz NPBKHPDLSZDXHL-VSGBNLITSA-N 0 0 514.651 5.692 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1 ZINC000224842415 571622445 /nfs/dbraw/zinc/62/24/45/571622445.db2.gz OCUAWRQKZGBYGZ-WDYNHAJCSA-N 0 0 512.679 6.300 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224843667 571622552 /nfs/dbraw/zinc/62/25/52/571622552.db2.gz OUBBSLVPPSXXFJ-VSGBNLITSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1 ZINC000224843531 571622559 /nfs/dbraw/zinc/62/25/59/571622559.db2.gz OUBBSLVPPSXXFJ-NSOVKSMOSA-N 0 0 533.097 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860514 571624114 /nfs/dbraw/zinc/62/41/14/571624114.db2.gz SACHDKGNUFBSCG-FQLXRVMXSA-N 0 0 560.123 5.862 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1Cl ZINC000224869547 571625032 /nfs/dbraw/zinc/62/50/32/571625032.db2.gz CYVMKNKDXVFBRO-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000224873272 571625499 /nfs/dbraw/zinc/62/54/99/571625499.db2.gz FCKALEKDBZLCIS-SVBPBHIXSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000224896800 571627844 /nfs/dbraw/zinc/62/78/44/571627844.db2.gz LDWVDWUGLSFGIB-LOYHVIPDSA-N 0 0 506.650 7.267 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1Br ZINC000224899681 571628093 /nfs/dbraw/zinc/62/80/93/571628093.db2.gz IMHDXCKAFIBBAK-FTJBHMTQSA-N 0 0 535.486 6.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224902034 571628330 /nfs/dbraw/zinc/62/83/30/571628330.db2.gz NORHVXLXPMHMTN-UIOOFZCWSA-N 0 0 525.480 7.421 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224903354 571628406 /nfs/dbraw/zinc/62/84/06/571628406.db2.gz CHEDSQSUHXTGRB-RRPNLBNLSA-N 0 0 531.613 6.031 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224902884 571628417 /nfs/dbraw/zinc/62/84/17/571628417.db2.gz JGZUQYQGEXAPIP-SVBPBHIXSA-N 0 0 500.599 5.842 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224903492 571628463 /nfs/dbraw/zinc/62/84/63/571628463.db2.gz XOYAOJPGFKSYLY-SXOMAYOGSA-N 0 0 531.613 6.031 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224927691 571630878 /nfs/dbraw/zinc/63/08/78/571630878.db2.gz BCMLOWUDENLOMW-SVBPBHIXSA-N 0 0 531.523 7.046 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224928103 571630905 /nfs/dbraw/zinc/63/09/05/571630905.db2.gz ZWRUHPCOSARMOC-VSGBNLITSA-N 0 0 545.550 7.300 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224928385 571630914 /nfs/dbraw/zinc/63/09/14/571630914.db2.gz KMTFKRVSQNJNRS-NSOVKSMOSA-N 0 0 545.550 7.300 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224928315 571630915 /nfs/dbraw/zinc/63/09/15/571630915.db2.gz KMTFKRVSQNJNRS-IZLXSDGUSA-N 0 0 545.550 7.300 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224928350 571630930 /nfs/dbraw/zinc/63/09/30/571630930.db2.gz KMTFKRVSQNJNRS-WUFINQPMSA-N 0 0 545.550 7.300 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224929682 571631057 /nfs/dbraw/zinc/63/10/57/571631057.db2.gz WUIBMALPKNVDIX-FTJBHMTQSA-N 0 0 596.392 7.500 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224930226 571631091 /nfs/dbraw/zinc/63/10/91/571631091.db2.gz FUZXLWBVBPOKAZ-FTJBHMTQSA-N 0 0 533.495 6.443 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c1 ZINC000224930398 571631129 /nfs/dbraw/zinc/63/11/29/571631129.db2.gz LGMZEYJWVNDIGH-SXOMAYOGSA-N 0 0 547.522 6.746 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224932125 571631259 /nfs/dbraw/zinc/63/12/59/571631259.db2.gz XRRVMMGUJKTHDY-IZLXSDGUSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224933413 571631435 /nfs/dbraw/zinc/63/14/35/571631435.db2.gz QJKSOTOGVOUNHU-SVBPBHIXSA-N 0 0 592.519 6.654 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c1C ZINC000224934225 571631537 /nfs/dbraw/zinc/63/15/37/571631537.db2.gz QTXHBMMXVYRFAN-PXJZQJOASA-N 0 0 559.577 7.608 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224934794 571631561 /nfs/dbraw/zinc/63/15/61/571631561.db2.gz GOIAZKUUKVSUPI-IZZNHLLZSA-N 0 0 532.511 6.441 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cn1 ZINC000224934834 571631581 /nfs/dbraw/zinc/63/15/81/571631581.db2.gz GOIAZKUUKVSUPI-UIOOFZCWSA-N 0 0 532.511 6.441 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000224956179 571633609 /nfs/dbraw/zinc/63/36/09/571633609.db2.gz RYVNKTBJDRCXIP-KYJUHHDHSA-N 0 0 539.104 7.481 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1Cl ZINC000224956928 571633637 /nfs/dbraw/zinc/63/36/37/571633637.db2.gz WWLJGJNXGPOLFN-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000224957348 571633687 /nfs/dbraw/zinc/63/36/87/571633687.db2.gz SOUURBWPZAPUPE-KAYWLYCHSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000224958533 571633817 /nfs/dbraw/zinc/63/38/17/571633817.db2.gz PEEZCFUMVFMUTA-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000224958811 571633821 /nfs/dbraw/zinc/63/38/21/571633821.db2.gz ZPBLOWXQOBNKMN-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl ZINC000224959182 571633885 /nfs/dbraw/zinc/63/38/85/571633885.db2.gz CNOMEKCVSHYSSL-IZZNHLLZSA-N 0 0 567.940 7.091 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224959694 571633940 /nfs/dbraw/zinc/63/39/40/571633940.db2.gz KVJFVYFAZBIVGY-IZZNHLLZSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl ZINC000224960772 571634073 /nfs/dbraw/zinc/63/40/73/571634073.db2.gz KVAGNJCOMVUTLO-VSGBNLITSA-N 0 0 532.113 6.394 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224961632 571634215 /nfs/dbraw/zinc/63/42/15/571634215.db2.gz BIFGNNYEIHOCQO-VSGBNLITSA-N 0 0 517.098 6.945 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224978500 571635703 /nfs/dbraw/zinc/63/57/03/571635703.db2.gz MUONJRIZFXPULF-GPOMZPHUSA-N 0 0 641.285 7.393 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000224979330 571635717 /nfs/dbraw/zinc/63/57/17/571635717.db2.gz GAGOWYPKWSODJI-FIRIVFDPSA-N 0 0 572.222 7.780 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224982310 571636064 /nfs/dbraw/zinc/63/60/64/571636064.db2.gz VHEIXHCKKUIJFQ-IOWSJCHKSA-N 0 0 606.623 7.915 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000224985051 571636361 /nfs/dbraw/zinc/63/63/61/571636361.db2.gz QGHXTHZUQJKESF-OIDHKYIRSA-N 0 0 606.239 8.709 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224986039 571636443 /nfs/dbraw/zinc/63/64/43/571636443.db2.gz ZMYJQOFYVAHFPI-AJQTZOPKSA-N 0 0 570.206 7.864 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000224985963 571636444 /nfs/dbraw/zinc/63/64/44/571636444.db2.gz ZMYJQOFYVAHFPI-ROJLCIKYSA-N 0 0 570.206 7.864 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224986506 571636490 /nfs/dbraw/zinc/63/64/90/571636490.db2.gz NIIXQAYNTDODNL-SAIUNTKASA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000224987021 571636592 /nfs/dbraw/zinc/63/65/92/571636592.db2.gz ZQBUOQMBLKDWLG-JSOSNVBQSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224988099 571636688 /nfs/dbraw/zinc/63/66/88/571636688.db2.gz TVGOCJHMFZLHAW-IOWSJCHKSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224989935 571636906 /nfs/dbraw/zinc/63/69/06/571636906.db2.gz HHLLHWSZQAUTJL-IOWSJCHKSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224989899 571636931 /nfs/dbraw/zinc/63/69/31/571636931.db2.gz HHLLHWSZQAUTJL-JSOSNVBQSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224990960 571637026 /nfs/dbraw/zinc/63/70/26/571637026.db2.gz NWKVMNRRMULWCQ-UZNNEEJFSA-N 0 0 598.260 8.481 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224990787 571637039 /nfs/dbraw/zinc/63/70/39/571637039.db2.gz DAOMIZIWUBAFGN-AJQTZOPKSA-N 0 0 600.188 7.285 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000224991573 571637117 /nfs/dbraw/zinc/63/71/17/571637117.db2.gz UHGGOAJFAUUKMW-ZWXJPIIXSA-N 0 0 604.651 8.518 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ncccc1C ZINC000224992612 571637193 /nfs/dbraw/zinc/63/71/93/571637193.db2.gz LCFGCDOHKORODG-XZWHSSHBSA-N 0 0 571.194 7.259 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)n1-c1ccccc1 ZINC000225002305 571638166 /nfs/dbraw/zinc/63/81/66/571638166.db2.gz XRFXHKGIOIIOFV-LOYHVIPDSA-N 0 0 542.152 7.248 40 10 KKCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)n1-c1ccccc1 ZINC000225002374 571638192 /nfs/dbraw/zinc/63/81/92/571638192.db2.gz XRFXHKGIOIIOFV-XZWHSSHBSA-N 0 0 542.152 7.248 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225035176 571640906 /nfs/dbraw/zinc/64/09/06/571640906.db2.gz XREPKZKFXUQCEW-IZLXSDGUSA-N 0 0 549.666 6.983 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225039103 571641170 /nfs/dbraw/zinc/64/11/70/571641170.db2.gz GWJXRVQSNYSAJK-VSGBNLITSA-N 0 0 532.113 6.323 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225041895 571641378 /nfs/dbraw/zinc/64/13/78/571641378.db2.gz CSVWWCOJNZEJMN-ROJLCIKYSA-N 0 0 531.729 7.117 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225044375 571641553 /nfs/dbraw/zinc/64/15/53/571641553.db2.gz JMETYRPDDSLFQO-NSOVKSMOSA-N 0 0 516.114 6.617 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000225044845 571641615 /nfs/dbraw/zinc/64/16/15/571641615.db2.gz LJPQPGNSTLINHX-WUFINQPMSA-N 0 0 560.565 6.726 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225044729 571641629 /nfs/dbraw/zinc/64/16/29/571641629.db2.gz WEDLDDXUEFQMSZ-NSOVKSMOSA-N 0 0 560.565 6.726 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225045702 571641730 /nfs/dbraw/zinc/64/17/30/571641730.db2.gz DSMUYRPNJYVQRZ-VMPREFPWSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225046680 571641895 /nfs/dbraw/zinc/64/18/95/571641895.db2.gz SNTVLUXXIPCMDY-IZLXSDGUSA-N 0 0 550.559 7.271 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000225047449 571641935 /nfs/dbraw/zinc/64/19/35/571641935.db2.gz RJNQTNKUXQADAL-JDXGNMNLSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)ccc1C ZINC000225047277 571641942 /nfs/dbraw/zinc/64/19/42/571641942.db2.gz WHJBVZFEEWYBEU-KYJUHHDHSA-N 0 0 509.723 6.581 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225047510 571642003 /nfs/dbraw/zinc/64/20/03/571642003.db2.gz PUYQDFXIXYNBLN-LOYHVIPDSA-N 0 0 509.723 6.581 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225049116 571642132 /nfs/dbraw/zinc/64/21/32/571642132.db2.gz XLRDKZUDYKQYHM-URLMMPGGSA-N 0 0 556.692 5.881 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225068018 571643744 /nfs/dbraw/zinc/64/37/44/571643744.db2.gz WIEFRQAGIVNVNW-JHOUSYSJSA-N 0 0 624.166 7.043 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225070879 571644041 /nfs/dbraw/zinc/64/40/41/571644041.db2.gz VRFGZGOAQAUIKO-PQQNNWGCSA-N 0 0 623.782 7.837 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000225071367 571644125 /nfs/dbraw/zinc/64/41/25/571644125.db2.gz KOQUIIWNMWOBFJ-SAIUNTKASA-N 0 0 573.722 6.684 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000225071721 571644138 /nfs/dbraw/zinc/64/41/38/571644138.db2.gz MTXOGXHAQHGKOS-NOCHOARKSA-N 0 0 587.749 6.992 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225072222 571644170 /nfs/dbraw/zinc/64/41/70/571644170.db2.gz CDFMDUQEEAEEGG-VSJLXWSYSA-N 0 0 601.776 7.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1F ZINC000225072622 571644193 /nfs/dbraw/zinc/64/41/93/571644193.db2.gz UCVMBYYNNRICJF-SAIUNTKASA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225076546 571644665 /nfs/dbraw/zinc/64/46/65/571644665.db2.gz WHRQRJQQPLAMQY-VSJLXWSYSA-N 0 0 601.776 7.301 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078164 571644861 /nfs/dbraw/zinc/64/48/61/571644861.db2.gz YWKMJVGWETXZCA-HEVIKAOCSA-N 0 0 648.745 6.601 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078317 571644886 /nfs/dbraw/zinc/64/48/86/571644886.db2.gz BMTUCBFYHRUULD-GIWKVKTRSA-N 0 0 615.803 7.555 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225078830 571644941 /nfs/dbraw/zinc/64/49/41/571644941.db2.gz AACJUYFGIVMXJC-LQJZCPKCSA-N 0 0 588.737 6.387 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)c1 ZINC000225089165 571646221 /nfs/dbraw/zinc/64/62/21/571646221.db2.gz SBEQPNCYLHICNC-SZAHLOSFSA-N 0 0 631.758 6.470 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225089472 571646268 /nfs/dbraw/zinc/64/62/68/571646268.db2.gz VKOVSFVHZLDEGG-NOCHOARKSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1NC(=O)C(C)(C)C ZINC000225097061 571646907 /nfs/dbraw/zinc/64/69/07/571646907.db2.gz WQSAMEZNAHEEEY-WDYNHAJCSA-N 0 0 604.176 7.018 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100685 571647257 /nfs/dbraw/zinc/64/72/57/571647257.db2.gz IYBJDQXUAMLVKJ-IHLOFXLRSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101539 571647302 /nfs/dbraw/zinc/64/73/02/571647302.db2.gz NHXQRBXDUAPVMU-VMPREFPWSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101877 571647362 /nfs/dbraw/zinc/64/73/62/571647362.db2.gz PFNWGQRFLJZGOF-VMPREFPWSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225102297 571647412 /nfs/dbraw/zinc/64/74/12/571647412.db2.gz HUBRHINGVWXMMK-FQLXRVMXSA-N 0 0 588.177 7.313 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104608 571647656 /nfs/dbraw/zinc/64/76/56/571647656.db2.gz QJRKWCQJDCXNFD-WDYNHAJCSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104918 571647673 /nfs/dbraw/zinc/64/76/73/571647673.db2.gz RUUVMAXWUSRZTH-CONSDPRKSA-N 0 0 581.786 7.276 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104861 571647685 /nfs/dbraw/zinc/64/76/85/571647685.db2.gz DYWSNOJOQQNVJU-FQLXRVMXSA-N 0 0 622.622 7.966 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225105943 571647833 /nfs/dbraw/zinc/64/78/33/571647833.db2.gz UGIVTMZDRHTRCM-KYJUHHDHSA-N 0 0 602.204 7.621 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106578 571647853 /nfs/dbraw/zinc/64/78/53/571647853.db2.gz NOOIZTYQUTYWCW-LOYHVIPDSA-N 0 0 602.204 7.621 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225107190 571647949 /nfs/dbraw/zinc/64/79/49/571647949.db2.gz FVMRCGANMYORMG-BHYZAODMSA-N 0 0 595.813 7.530 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NC(=O)C(C)(C)C ZINC000225117804 571649123 /nfs/dbraw/zinc/64/91/23/571649123.db2.gz PBKZMDKRCDPKNH-NSOVKSMOSA-N 0 0 539.705 6.351 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225118681 571649235 /nfs/dbraw/zinc/64/92/35/571649235.db2.gz AQVPDQJHLIMNAZ-XZWHSSHBSA-N 0 0 611.768 6.446 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225121993 571649530 /nfs/dbraw/zinc/64/95/30/571649530.db2.gz PHMZHYNQNWDENS-VSGBNLITSA-N 0 0 612.121 7.933 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225125800 571649882 /nfs/dbraw/zinc/64/98/82/571649882.db2.gz WQNIDSGFWTYYRO-VSGBNLITSA-N 0 0 594.568 7.273 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000225128505 571650059 /nfs/dbraw/zinc/65/00/59/571650059.db2.gz VOBICISRJUYTMQ-ROJLCIKYSA-N 0 0 594.184 8.067 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000225130346 571650187 /nfs/dbraw/zinc/65/01/87/571650187.db2.gz LFAACKRZSMLEDJ-VSGBNLITSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000225130740 571650231 /nfs/dbraw/zinc/65/02/31/571650231.db2.gz ITGPJBWXIGYXSQ-WUFINQPMSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225130944 571650243 /nfs/dbraw/zinc/65/02/43/571650243.db2.gz ICTRRICVUPSXDZ-NSOVKSMOSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000225130706 571650249 /nfs/dbraw/zinc/65/02/49/571650249.db2.gz ITGPJBWXIGYXSQ-IZLXSDGUSA-N 0 0 578.569 7.568 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000225131440 571650305 /nfs/dbraw/zinc/65/03/05/571650305.db2.gz ZTRFYLKXCBWUEG-NSOVKSMOSA-N 0 0 623.020 7.677 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)c1 ZINC000225132058 571650339 /nfs/dbraw/zinc/65/03/39/571650339.db2.gz HTNZSQLIVLCWTA-VMPREFPWSA-N 0 0 574.150 6.923 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225132885 571650367 /nfs/dbraw/zinc/65/03/67/571650367.db2.gz SBKMGYQILOBKSB-KYJUHHDHSA-N 0 0 587.193 6.980 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225134000 571650497 /nfs/dbraw/zinc/65/04/97/571650497.db2.gz FTANXPZGMBNMGA-XZWHSSHBSA-N 0 0 572.178 7.531 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225134494 571650571 /nfs/dbraw/zinc/65/05/71/571650571.db2.gz PSAFOTDXJGTQJE-VMPREFPWSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)ccn1 ZINC000225135692 571650681 /nfs/dbraw/zinc/65/06/81/571650681.db2.gz JRYAWMBXSZMXOY-IZLXSDGUSA-N 0 0 559.139 6.618 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225149589 571652354 /nfs/dbraw/zinc/65/23/54/571652354.db2.gz ZIHJGXZJALINDL-WDYNHAJCSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225149666 571652378 /nfs/dbraw/zinc/65/23/78/571652378.db2.gz ZIHJGXZJALINDL-FQLXRVMXSA-N 0 0 577.676 7.342 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225156580 571652968 /nfs/dbraw/zinc/65/29/68/571652968.db2.gz IKOSZURZUYUDAR-VMPREFPWSA-N 0 0 509.679 6.323 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225156869 571653044 /nfs/dbraw/zinc/65/30/44/571653044.db2.gz PDHKVSZWZHOFMH-LOYHVIPDSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225157041 571653046 /nfs/dbraw/zinc/65/30/46/571653046.db2.gz ATXOXNPKROZQMN-LOYHVIPDSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C ZINC000225156755 571653048 /nfs/dbraw/zinc/65/30/48/571653048.db2.gz PDHKVSZWZHOFMH-KYJUHHDHSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1C ZINC000225157421 571653075 /nfs/dbraw/zinc/65/30/75/571653075.db2.gz NOFLOFHJPRPZDC-CONSDPRKSA-N 0 0 537.733 6.886 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225158127 571653152 /nfs/dbraw/zinc/65/31/52/571653152.db2.gz MBMYRCDMLYTLPF-VMPREFPWSA-N 0 0 527.669 6.462 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225159508 571653231 /nfs/dbraw/zinc/65/32/31/571653231.db2.gz VMMHVAJJROXPKV-VMPREFPWSA-N 0 0 525.678 6.029 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C ZINC000225159867 571653293 /nfs/dbraw/zinc/65/32/93/571653293.db2.gz TZKQHYWXVVDXRK-IHLOFXLRSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1C ZINC000225160726 571653353 /nfs/dbraw/zinc/65/33/53/571653353.db2.gz VAAHVIIIPUVBTB-SAIUNTKASA-N 0 0 580.802 7.169 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225162744 571653561 /nfs/dbraw/zinc/65/35/61/571653561.db2.gz HUEUYYCWSGIISN-LOYHVIPDSA-N 0 0 584.702 6.240 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1C ZINC000225163478 571653586 /nfs/dbraw/zinc/65/35/86/571653586.db2.gz WBZNIQGHSIMDRH-CDZUIXILSA-N 0 0 551.760 7.194 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1C ZINC000225163696 571653597 /nfs/dbraw/zinc/65/35/97/571653597.db2.gz LVPPQFCTDNBAIK-WDYNHAJCSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1OC ZINC000225185149 571655684 /nfs/dbraw/zinc/65/56/84/571655684.db2.gz MCEJQMWAUZFQTA-XZWHSSHBSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1OC ZINC000225187985 571656030 /nfs/dbraw/zinc/65/60/30/571656030.db2.gz GMFZHTIBZXKMRG-LOYHVIPDSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1OC ZINC000225187867 571656049 /nfs/dbraw/zinc/65/60/49/571656049.db2.gz GMFZHTIBZXKMRG-KYJUHHDHSA-N 0 0 555.704 6.032 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC ZINC000225190644 571656315 /nfs/dbraw/zinc/65/63/15/571656315.db2.gz KUZXFVSHRPDWQS-KYJUHHDHSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1OC ZINC000225202500 571657442 /nfs/dbraw/zinc/65/74/42/571657442.db2.gz RUIXDKQDXXVKOL-KYJUHHDHSA-N 0 0 583.714 5.810 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1OC ZINC000225202363 571657474 /nfs/dbraw/zinc/65/74/74/571657474.db2.gz XKSMFRQPQCDMTI-IHLOFXLRSA-N 0 0 583.714 5.810 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000225207248 571657958 /nfs/dbraw/zinc/65/79/58/571657958.db2.gz GFLVYDJIMDRNCJ-IZLXSDGUSA-N 0 0 562.139 6.129 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000225210979 571658297 /nfs/dbraw/zinc/65/82/97/571658297.db2.gz RUCVKSLHMRHQQB-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000225213723 571658546 /nfs/dbraw/zinc/65/85/46/571658546.db2.gz DMEQGDQULAIKHS-VMPREFPWSA-N 0 0 525.678 5.560 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)cc2)c1C ZINC000225214140 571658572 /nfs/dbraw/zinc/65/85/72/571658572.db2.gz GARRWBVYPVOFDP-XZWHSSHBSA-N 0 0 539.705 5.814 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000225215089 571658709 /nfs/dbraw/zinc/65/87/09/571658709.db2.gz SEFMZYQTGMICNQ-NSOVKSMOSA-N 0 0 546.096 5.905 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000225215800 571658744 /nfs/dbraw/zinc/65/87/44/571658744.db2.gz ARHZMMFXLDLPSI-IZLXSDGUSA-N 0 0 590.547 6.014 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000225217590 571658940 /nfs/dbraw/zinc/65/89/40/571658940.db2.gz QSYSPTQFCQABSA-WUFINQPMSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000225217691 571658954 /nfs/dbraw/zinc/65/89/54/571658954.db2.gz CSCUHSXATKUUQK-NSOVKSMOSA-N 0 0 580.541 6.558 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217461 571658968 /nfs/dbraw/zinc/65/89/68/571658968.db2.gz AXGLTJBANHXVTG-ACHIHNKUSA-N 0 0 582.774 6.097 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000225218979 571659101 /nfs/dbraw/zinc/65/91/01/571659101.db2.gz PKUBOZAKXDHEIR-URLMMPGGSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000225230404 571660464 /nfs/dbraw/zinc/66/04/64/571660464.db2.gz RYMCILREKVRPJI-VMPREFPWSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1Cl ZINC000225235168 571660918 /nfs/dbraw/zinc/66/09/18/571660918.db2.gz QGYPTMZYIKFCOK-NSOVKSMOSA-N 0 0 596.584 6.782 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000225241807 571661686 /nfs/dbraw/zinc/66/16/86/571661686.db2.gz PDZJHWYNGBMEPC-WUFINQPMSA-N 0 0 614.093 6.923 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225242106 571661714 /nfs/dbraw/zinc/66/17/14/571661714.db2.gz NPBSJOYOVJOEFF-IHLOFXLRSA-N 0 0 574.150 6.467 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl ZINC000225242827 571661787 /nfs/dbraw/zinc/66/17/87/571661787.db2.gz HKGTYCOJJYBNDH-VSGBNLITSA-N 0 0 580.541 6.558 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000225243621 571661922 /nfs/dbraw/zinc/66/19/22/571661922.db2.gz ATZCMQKIJSSWOL-VSGBNLITSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1Cl ZINC000225244291 571661934 /nfs/dbraw/zinc/66/19/34/571661934.db2.gz KMKAROAETQRDGC-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1Cl ZINC000225244115 571661952 /nfs/dbraw/zinc/66/19/52/571661952.db2.gz ZDRKZXPJFIOTEO-FQLXRVMXSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000225245330 571662044 /nfs/dbraw/zinc/66/20/44/571662044.db2.gz OLXPCEKORZRILF-IZLXSDGUSA-N 0 0 614.986 7.211 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl ZINC000225246939 571662212 /nfs/dbraw/zinc/66/22/12/571662212.db2.gz LFSQUWOIUDFWSI-WDYNHAJCSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1Cl ZINC000225248099 571662333 /nfs/dbraw/zinc/66/23/33/571662333.db2.gz NSBGADBACLUCMF-WUFINQPMSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000225257429 571663334 /nfs/dbraw/zinc/66/33/34/571663334.db2.gz IVOROEWYECIKKX-WUFINQPMSA-N 0 0 562.095 5.605 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000225257929 571663412 /nfs/dbraw/zinc/66/34/12/571663412.db2.gz KFLZVXZLKTWUGW-URLMMPGGSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1Cl ZINC000225257852 571663413 /nfs/dbraw/zinc/66/34/13/571663413.db2.gz KFLZVXZLKTWUGW-VMPREFPWSA-N 0 0 604.132 5.691 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC000225261376 571663822 /nfs/dbraw/zinc/66/38/22/571663822.db2.gz PIRSMIMXTQWTCL-FQLXRVMXSA-N 0 0 593.675 6.578 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C ZINC000225268629 571664740 /nfs/dbraw/zinc/66/47/40/571664740.db2.gz HIVMIJJJVVDEMW-FQLXRVMXSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C ZINC000225268875 571664750 /nfs/dbraw/zinc/66/47/50/571664750.db2.gz VNQVLKHVTAZYLH-WDYNHAJCSA-N 0 0 543.668 5.699 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225271704 571665115 /nfs/dbraw/zinc/66/51/15/571665115.db2.gz YNDRDJFYOIJDQQ-JSOSNVBQSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1C ZINC000225271870 571665133 /nfs/dbraw/zinc/66/51/33/571665133.db2.gz GMKHLACMFLJUGF-JSOSNVBQSA-N 0 0 553.732 6.176 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1C ZINC000225273103 571665222 /nfs/dbraw/zinc/66/52/22/571665222.db2.gz LSKRNWLWKPPUEP-LOYHVIPDSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225274346 571665371 /nfs/dbraw/zinc/66/53/71/571665371.db2.gz AJQSQWRDOUNVIW-URLMMPGGSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1C ZINC000225274311 571665399 /nfs/dbraw/zinc/66/53/99/571665399.db2.gz AJQSQWRDOUNVIW-WDYNHAJCSA-N 0 0 540.693 5.263 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1C ZINC000225283735 571666328 /nfs/dbraw/zinc/66/63/28/571666328.db2.gz IFZZBWHSHSLKEP-WDYNHAJCSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1OC ZINC000225291460 571667276 /nfs/dbraw/zinc/66/72/76/571667276.db2.gz BZRZKGRTMMZSJI-VMPREFPWSA-N 0 0 592.121 5.619 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1OC ZINC000225294430 571667710 /nfs/dbraw/zinc/66/77/10/571667710.db2.gz ILADFKUMKIIYKK-FQLXRVMXSA-N 0 0 541.677 5.260 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1OC ZINC000225294928 571667736 /nfs/dbraw/zinc/66/77/36/571667736.db2.gz YNXCHJXGTSLONB-VMPREFPWSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1OC ZINC000225294956 571667808 /nfs/dbraw/zinc/66/78/08/571667808.db2.gz YNXCHJXGTSLONB-WDYNHAJCSA-N 0 0 609.674 6.279 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1OC ZINC000225295432 571667828 /nfs/dbraw/zinc/66/78/28/571667828.db2.gz MUUXASTUZDLSPZ-URLMMPGGSA-N 0 0 559.667 5.399 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1OC ZINC000225295756 571667885 /nfs/dbraw/zinc/66/78/85/571667885.db2.gz NLLFZOJKWNGQDB-WDYNHAJCSA-N 0 0 576.122 5.913 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1OC ZINC000225296257 571667987 /nfs/dbraw/zinc/66/79/87/571667987.db2.gz ANFIZWCAOWJELR-FQLXRVMXSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1OC ZINC000225296238 571667992 /nfs/dbraw/zinc/66/79/92/571667992.db2.gz ANFIZWCAOWJELR-URLMMPGGSA-N 0 0 620.573 6.022 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1OC ZINC000225299454 571668482 /nfs/dbraw/zinc/66/84/82/571668482.db2.gz RGQYTLCXXJBYKD-KYJUHHDHSA-N 0 0 616.700 5.177 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)ccc1OC ZINC000225309137 571669828 /nfs/dbraw/zinc/66/98/28/571669828.db2.gz ZVIBLAFVQMRZPG-IHLOFXLRSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1NC(C)=O ZINC000225312782 571670616 /nfs/dbraw/zinc/67/06/16/571670616.db2.gz SHCYJFHFCAONPW-IZLXSDGUSA-N 0 0 527.694 5.857 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NC(C)=O ZINC000225315250 571671192 /nfs/dbraw/zinc/67/11/92/571671192.db2.gz PWFGBNQJQDKVEU-IZLXSDGUSA-N 0 0 562.095 5.992 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1NC(C)=O ZINC000225315279 571671214 /nfs/dbraw/zinc/67/12/14/571671214.db2.gz PWFGBNQJQDKVEU-WUFINQPMSA-N 0 0 562.095 5.992 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1NC(C)=O ZINC000225318804 571672559 /nfs/dbraw/zinc/67/25/59/571672559.db2.gz LJLIDFRRZTUEFE-VSGBNLITSA-N 0 0 579.648 6.652 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225318897 571672873 /nfs/dbraw/zinc/67/28/73/571672873.db2.gz YFFMXYWDOGDUJG-XZWHSSHBSA-N 0 0 539.705 6.196 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NC(C)=O ZINC000225319672 571673943 /nfs/dbraw/zinc/67/39/43/571673943.db2.gz BMKDNUZRJAIACL-NSOVKSMOSA-N 0 0 590.547 6.396 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320198 571675377 /nfs/dbraw/zinc/67/53/77/571675377.db2.gz PEZZYKYAGHCDHF-WDYNHAJCSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1NC(C)=O ZINC000225321698 571677218 /nfs/dbraw/zinc/67/72/18/571677218.db2.gz WCBSLCIJDCOLFS-PQHLKRTFSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1NC(C)=O ZINC000225322065 571677473 /nfs/dbraw/zinc/67/74/73/571677473.db2.gz FCCFWZYJFRWGFQ-SMCANUKXSA-N 0 0 553.732 6.559 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NC(C)=O ZINC000225323152 571679190 /nfs/dbraw/zinc/67/91/90/571679190.db2.gz ZJQPFACAOQSMOU-VMPREFPWSA-N 0 0 586.674 5.550 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000225323342 571679248 /nfs/dbraw/zinc/67/92/48/571679248.db2.gz VRTXBZODWJPAPV-VEEOACQBSA-N 0 0 553.732 6.504 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NC(C)=O ZINC000225323771 571679611 /nfs/dbraw/zinc/67/96/11/571679611.db2.gz ZHDVMJOITLMBEK-NSOVKSMOSA-N 0 0 526.666 5.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225342155 571701276 /nfs/dbraw/zinc/70/12/76/571701276.db2.gz IVOFIGTXHDLSKI-ZWXJPIIXSA-N 0 0 532.713 7.607 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225343683 571702929 /nfs/dbraw/zinc/70/29/29/571702929.db2.gz HYDCHMUHWZICRB-KYJUHHDHSA-N 0 0 510.707 7.016 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225343455 571702939 /nfs/dbraw/zinc/70/29/39/571702939.db2.gz SEQGNROXCINALJ-IHLOFXLRSA-N 0 0 510.707 7.016 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225343998 571703288 /nfs/dbraw/zinc/70/32/88/571703288.db2.gz JMJUGCZVNIKPGA-VSGBNLITSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225347273 571707701 /nfs/dbraw/zinc/70/77/01/571707701.db2.gz OMRTWRQXAOAGOH-LOYHVIPDSA-N 0 0 510.707 7.070 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225347631 571708415 /nfs/dbraw/zinc/70/84/15/571708415.db2.gz GRWYIAJWORPCSD-VEEOACQBSA-N 0 0 524.734 7.379 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801668 571709387 /nfs/dbraw/zinc/70/93/87/571709387.db2.gz KMBMVTIDRCAWID-LEWJYISDSA-N 0 0 521.708 5.387 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C ZINC000225348930 571709599 /nfs/dbraw/zinc/70/95/99/571709599.db2.gz YDFGJOCMXPQJIR-VEEOACQBSA-N 0 0 524.734 7.324 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225359221 571720669 /nfs/dbraw/zinc/72/06/69/571720669.db2.gz IVWCYGVOXUDDBG-FQLXRVMXSA-N 0 0 540.689 6.240 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225362329 571724657 /nfs/dbraw/zinc/72/46/57/571724657.db2.gz WCCBCHLQHCHXKO-XZWHSSHBSA-N 0 0 576.688 8.006 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1 ZINC000225368592 571732887 /nfs/dbraw/zinc/73/28/87/571732887.db2.gz SESRJJNCOIKUDP-KYJUHHDHSA-N 0 0 508.691 6.988 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C ZINC000225368660 571733449 /nfs/dbraw/zinc/73/34/49/571733449.db2.gz AWXOUUQCBLEQJB-JSOSNVBQSA-N 0 0 522.718 7.296 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225369430 571734029 /nfs/dbraw/zinc/73/40/29/571734029.db2.gz GFGRTVLRXBTWFM-ZWXJPIIXSA-N 0 0 536.745 7.550 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225369914 571734534 /nfs/dbraw/zinc/73/45/34/571734534.db2.gz XOXDCGQWSNDCFP-XZWHSSHBSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225370226 571734999 /nfs/dbraw/zinc/73/49/99/571734999.db2.gz VPPFDBKAEOVBDP-XZWHSSHBSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225370154 571735027 /nfs/dbraw/zinc/73/50/27/571735027.db2.gz VPPFDBKAEOVBDP-LOYHVIPDSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000225370106 571735143 /nfs/dbraw/zinc/73/51/43/571735143.db2.gz UTFUTPQYAWNBSU-KYJUHHDHSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225370376 571735543 /nfs/dbraw/zinc/73/55/43/571735543.db2.gz JIVUQALJDXRYAY-XZWHSSHBSA-N 0 0 543.136 7.641 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225371111 571736020 /nfs/dbraw/zinc/73/60/20/571736020.db2.gz GBUBGMFSZSBXFO-IHLOFXLRSA-N 0 0 524.690 6.693 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225373384 571739072 /nfs/dbraw/zinc/73/90/72/571739072.db2.gz QVSHFLTXSUVSTI-WEZIJMHWSA-N 0 0 550.772 7.913 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000225373920 571739520 /nfs/dbraw/zinc/73/95/20/571739520.db2.gz VHAAJLPSGORXLP-JSOSNVBQSA-N 0 0 557.163 7.949 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c([N+](=O)[O-])c1 ZINC000225373803 571739633 /nfs/dbraw/zinc/73/96/33/571739633.db2.gz QNUSQTCIVNNSIX-IOWSJCHKSA-N 0 0 583.714 6.904 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225374250 571740139 /nfs/dbraw/zinc/74/01/39/571740139.db2.gz NUNYWSOBVJYBIF-IOWSJCHKSA-N 0 0 573.162 7.650 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225382901 571750713 /nfs/dbraw/zinc/75/07/13/571750713.db2.gz IWWDTTYXLVNTLY-KYJUHHDHSA-N 0 0 524.690 6.688 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225382829 571750845 /nfs/dbraw/zinc/75/08/45/571750845.db2.gz IWWDTTYXLVNTLY-IHLOFXLRSA-N 0 0 524.690 6.688 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000260851227 571751330 /nfs/dbraw/zinc/75/13/30/571751330.db2.gz KOPMEAZIPOUTEM-URLMMPGGSA-N 0 0 560.167 6.676 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225383147 571751530 /nfs/dbraw/zinc/75/15/30/571751530.db2.gz QJWFSMVAQXCJLB-IOWSJCHKSA-N 0 0 566.727 6.774 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1OC ZINC000260851087 571751511 /nfs/dbraw/zinc/75/15/11/571751511.db2.gz DLKXMSAVWDQDMK-URLMMPGGSA-N 0 0 592.165 6.137 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225383469 571752013 /nfs/dbraw/zinc/75/20/13/571752013.db2.gz ZFCPOLUJNCCADT-CONSDPRKSA-N 0 0 566.727 6.774 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852526 571752804 /nfs/dbraw/zinc/75/28/04/571752804.db2.gz RFTXGSXVXXGCOM-IZLXSDGUSA-N 0 0 594.612 7.792 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)cc21 ZINC000225386770 571756074 /nfs/dbraw/zinc/75/60/74/571756074.db2.gz KUJDTVLXPUMPPR-CLJLJLNGSA-N 0 0 533.723 5.262 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225389811 571758967 /nfs/dbraw/zinc/75/89/67/571758967.db2.gz AMFDMZCXAVGZPE-UIOOFZCWSA-N 0 0 568.124 5.397 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225392596 571761488 /nfs/dbraw/zinc/76/14/88/571761488.db2.gz KXGLVEXADJETNH-LOYHVIPDSA-N 0 0 567.740 6.191 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225394076 571763405 /nfs/dbraw/zinc/76/34/05/571763405.db2.gz QLLYKSGFCYXUII-VSGBNLITSA-N 0 0 545.734 5.600 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225394340 571763467 /nfs/dbraw/zinc/76/34/67/571763467.db2.gz GCPXUFHVYNJXEY-WUFINQPMSA-N 0 0 545.734 5.600 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225395382 571764650 /nfs/dbraw/zinc/76/46/50/571764650.db2.gz BYAGOOGOESXLGP-FTJBHMTQSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br ZINC000225395641 571764702 /nfs/dbraw/zinc/76/47/02/571764702.db2.gz GQOMXXIOENUUCV-UIOOFZCWSA-N 0 0 596.576 5.800 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225397656 571767729 /nfs/dbraw/zinc/76/77/29/571767729.db2.gz SAOBEWDJBAUBLO-CLJLJLNGSA-N 0 0 586.570 6.345 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225398698 571768800 /nfs/dbraw/zinc/76/88/00/571768800.db2.gz UJURFDVORJGTTF-NSOVKSMOSA-N 0 0 545.734 5.655 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NS(C)(=O)=O ZINC000225424579 571791221 /nfs/dbraw/zinc/79/12/21/571791221.db2.gz NAKFJGCBSSHFBG-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225426357 571792980 /nfs/dbraw/zinc/79/29/80/571792980.db2.gz NKYQESCQRWAUOX-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427365 571794109 /nfs/dbraw/zinc/79/41/09/571794109.db2.gz UARNNQQUZUKWCF-WUFINQPMSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427569 571794690 /nfs/dbraw/zinc/79/46/90/571794690.db2.gz YBDSGDRMWJZJJU-NSOVKSMOSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1NS(C)(=O)=O ZINC000225429380 571796944 /nfs/dbraw/zinc/79/69/44/571796944.db2.gz KNQSFOYQAJFIJL-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225429670 571797436 /nfs/dbraw/zinc/79/74/36/571797436.db2.gz ZAXIGLCVAKGPII-PXJZQJOASA-N 0 0 575.760 5.663 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC000225452625 571823933 /nfs/dbraw/zinc/82/39/33/571823933.db2.gz WOOMOOBICDHWPB-SXOMAYOGSA-N 0 0 531.707 5.346 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225453990 571825688 /nfs/dbraw/zinc/82/56/88/571825688.db2.gz PVVNTUXDCVAEBQ-SVBPBHIXSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000225454591 571826008 /nfs/dbraw/zinc/82/60/08/571826008.db2.gz VSHRWJFBAGYZPG-RRPNLBNLSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Br ZINC000225454791 571826096 /nfs/dbraw/zinc/82/60/96/571826096.db2.gz WUTLOWQPFCBZGC-SVBPBHIXSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1Br ZINC000225454759 571826174 /nfs/dbraw/zinc/82/61/74/571826174.db2.gz WUTLOWQPFCBZGC-RRPNLBNLSA-N 0 0 610.603 6.109 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225454356 571826230 /nfs/dbraw/zinc/82/62/30/571826230.db2.gz JZEPEMKDEYCJQE-KAYWLYCHSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225454464 571826250 /nfs/dbraw/zinc/82/62/50/571826250.db2.gz JZEPEMKDEYCJQE-SVBPBHIXSA-N 0 0 566.152 6.000 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225455688 571827099 /nfs/dbraw/zinc/82/70/99/571827099.db2.gz VUJMLVZQJQSBGB-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225455359 571827116 /nfs/dbraw/zinc/82/71/16/571827116.db2.gz XLCVRUSNPLLLOW-SXOMAYOGSA-N 0 0 547.706 5.052 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225457101 571828609 /nfs/dbraw/zinc/82/86/09/571828609.db2.gz DDTIHQSFVHUGIH-WDYNHAJCSA-N 0 0 559.761 5.963 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225457523 571829128 /nfs/dbraw/zinc/82/91/28/571829128.db2.gz SQGOPZWLNRFNSI-VSGBNLITSA-N 0 0 575.716 5.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ncccc1C ZINC000225458946 571831076 /nfs/dbraw/zinc/83/10/76/571831076.db2.gz MRBOCRMCRYBPRJ-CLJLJLNGSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ncccc1C ZINC000225459016 571831095 /nfs/dbraw/zinc/83/10/95/571831095.db2.gz MRBOCRMCRYBPRJ-IZZNHLLZSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)n1-c1ccccc1 ZINC000225468094 571839284 /nfs/dbraw/zinc/83/92/84/571839284.db2.gz VPFIAJWWZDQVLR-UIOOFZCWSA-N 0 0 517.680 5.038 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000260912107 571841226 /nfs/dbraw/zinc/84/12/26/571841226.db2.gz FBJFEZBNKXIRET-HBFWWTAJSA-N 0 0 588.196 7.941 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21 ZINC000260914349 571844422 /nfs/dbraw/zinc/84/44/22/571844422.db2.gz GKAONXQAADHXEL-FTJBHMTQSA-N 0 0 519.070 6.273 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000260914466 571844444 /nfs/dbraw/zinc/84/44/44/571844444.db2.gz GRNXKFBMLKYBIE-WTRTXXQSSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000260916261 571847970 /nfs/dbraw/zinc/84/79/70/571847970.db2.gz IDELWIIDLWQHFM-QGKSIAKZSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000260916483 571848677 /nfs/dbraw/zinc/84/86/77/571848677.db2.gz JBXLZHOAKOBGNJ-WHYVHFBVSA-N 0 0 639.096 9.109 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225479221 571849423 /nfs/dbraw/zinc/84/94/23/571849423.db2.gz HQYHRACHLYSKDD-IZLXSDGUSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225479401 571849455 /nfs/dbraw/zinc/84/94/55/571849455.db2.gz HXVCDNHPJWLRHL-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225479249 571849503 /nfs/dbraw/zinc/84/95/03/571849503.db2.gz HQYHRACHLYSKDD-WUFINQPMSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1NS(C)(=O)=O ZINC000225480183 571850560 /nfs/dbraw/zinc/85/05/60/571850560.db2.gz PXSAYYACWBEFRP-KAYWLYCHSA-N 0 0 565.696 5.185 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480713 571850786 /nfs/dbraw/zinc/85/07/86/571850786.db2.gz YXVRFBYEQBCBIV-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225480492 571850836 /nfs/dbraw/zinc/85/08/36/571850836.db2.gz HFOKWAXTEUPALK-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225480425 571850872 /nfs/dbraw/zinc/85/08/72/571850872.db2.gz HFOKWAXTEUPALK-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NS(C)(=O)=O ZINC000225480453 571850922 /nfs/dbraw/zinc/85/09/22/571850922.db2.gz HFOKWAXTEUPALK-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NS(C)(=O)=O ZINC000225480781 571851197 /nfs/dbraw/zinc/85/11/97/571851197.db2.gz YXVRFBYEQBCBIV-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1NS(C)(=O)=O ZINC000225480872 571851223 /nfs/dbraw/zinc/85/12/23/571851223.db2.gz ZATDXNXITKEFNI-SXOMAYOGSA-N 0 0 626.602 5.809 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1NS(C)(=O)=O ZINC000225483182 571853757 /nfs/dbraw/zinc/85/37/57/571853757.db2.gz TYOPADAZRTVFPF-FQLXRVMXSA-N 0 0 575.760 5.663 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1NS(C)(=O)=O ZINC000225484205 571854674 /nfs/dbraw/zinc/85/46/74/571854674.db2.gz XJCNDSVGQGMRMR-NSOVKSMOSA-N 0 0 612.177 5.708 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)cc21 ZINC000260920988 571856080 /nfs/dbraw/zinc/85/60/80/571856080.db2.gz NWSFYMYJPYRRAV-JYBFMWMBSA-N 0 0 586.249 8.026 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc2ccccc21 ZINC000260921280 571856988 /nfs/dbraw/zinc/85/69/88/571856988.db2.gz PDZBXFLVLLLCGC-VVCCXMFKSA-N 0 0 620.266 8.955 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260925564 571864555 /nfs/dbraw/zinc/86/45/55/571864555.db2.gz VPVWOHYAGRXPLX-AJQTZOPKSA-N 0 0 546.740 7.991 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260925625 571865105 /nfs/dbraw/zinc/86/51/05/571865105.db2.gz WHTHMBIODHWUPK-DQEYMECFSA-N 0 0 553.957 7.306 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225500598 571870462 /nfs/dbraw/zinc/87/04/62/571870462.db2.gz SCZRQTVLVARNMU-SXOMAYOGSA-N 0 0 532.069 5.459 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225503911 571874264 /nfs/dbraw/zinc/87/42/64/571874264.db2.gz SZUAIQFLJVMQNJ-RRPNLBNLSA-N 0 0 549.622 6.119 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C ZINC000225503997 571874369 /nfs/dbraw/zinc/87/43/69/571874369.db2.gz UTMNJJYRCXXJLQ-FQLXRVMXSA-N 0 0 509.679 5.663 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225505280 571875455 /nfs/dbraw/zinc/87/54/55/571875455.db2.gz MKQAOOGIXLJCSH-RRPNLBNLSA-N 0 0 560.521 5.863 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225505093 571875509 /nfs/dbraw/zinc/87/55/09/571875509.db2.gz OPIALAFEEXEKJK-SXOMAYOGSA-N 0 0 516.070 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000225505543 571876083 /nfs/dbraw/zinc/87/60/83/571876083.db2.gz PPBUYYXNSVYNKC-SXOMAYOGSA-N 0 0 560.521 5.863 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506199 571876379 /nfs/dbraw/zinc/87/63/79/571876379.db2.gz AJHGXLBALHQASL-NSOVKSMOSA-N 0 0 511.651 5.109 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506171 571876408 /nfs/dbraw/zinc/87/64/08/571876408.db2.gz AJHGXLBALHQASL-WUFINQPMSA-N 0 0 511.651 5.109 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225506746 571877594 /nfs/dbraw/zinc/87/75/94/571877594.db2.gz GKYFMHLARCEJEO-URLMMPGGSA-N 0 0 524.694 5.166 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1C ZINC000225508236 571879552 /nfs/dbraw/zinc/87/95/52/571879552.db2.gz ORMDMCLKDLXSGO-WUFINQPMSA-N 0 0 530.097 6.062 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)cc21 ZINC000225523419 571891253 /nfs/dbraw/zinc/89/12/53/571891253.db2.gz KZMDHVKFMZJDBZ-VSGBNLITSA-N 0 0 546.140 6.368 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000225527970 571894470 /nfs/dbraw/zinc/89/44/70/571894470.db2.gz KHBKCOYQNZVTHZ-VMPREFPWSA-N 0 0 509.679 5.799 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000225528831 571895366 /nfs/dbraw/zinc/89/53/66/571895366.db2.gz ZQIYOQWCLNKZBX-WUFINQPMSA-N 0 0 530.097 6.144 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br ZINC000225529129 571896029 /nfs/dbraw/zinc/89/60/29/571896029.db2.gz KDCMIZSYQKOXRK-WUFINQPMSA-N 0 0 574.548 6.253 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ncccc1C ZINC000225532235 571898943 /nfs/dbraw/zinc/89/89/43/571898943.db2.gz NQBKPZAORCYJNY-RRPNLBNLSA-N 0 0 510.667 5.194 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225548109 571911039 /nfs/dbraw/zinc/91/10/39/571911039.db2.gz OVKSSQPUDLSJKD-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225548205 571911134 /nfs/dbraw/zinc/91/11/34/571911134.db2.gz FZIIDQXNTYPQFX-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000225548235 571911409 /nfs/dbraw/zinc/91/14/09/571911409.db2.gz FZIIDQXNTYPQFX-IOWSJCHKSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C ZINC000225548645 571911484 /nfs/dbraw/zinc/91/14/84/571911484.db2.gz SXHHBWKNTYOUQZ-AJQTZOPKSA-N 0 0 551.760 6.615 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000225549509 571912029 /nfs/dbraw/zinc/91/20/29/571912029.db2.gz GKPUFEUIRPMOMV-XZWHSSHBSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225549890 571912674 /nfs/dbraw/zinc/91/26/74/571912674.db2.gz CKFTZNOFKXCPIQ-KYJUHHDHSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225550373 571913271 /nfs/dbraw/zinc/91/32/71/571913271.db2.gz SFEDTXAIDYBPQA-XZWHSSHBSA-N 0 0 539.705 5.758 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C ZINC000225551279 571914103 /nfs/dbraw/zinc/91/41/03/571914103.db2.gz UUAMYGDUNXFVGD-NOCHOARKSA-N 0 0 594.829 6.899 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000225552166 571915112 /nfs/dbraw/zinc/91/51/12/571915112.db2.gz UWZIQXOZJYJNDO-CONSDPRKSA-N 0 0 567.715 5.782 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000225552751 571915820 /nfs/dbraw/zinc/91/58/20/571915820.db2.gz ATFMTTLHNIUQJT-CONSDPRKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225552889 571915890 /nfs/dbraw/zinc/91/58/90/571915890.db2.gz KOORTDIAFAYBNO-CONSDPRKSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225552698 571915938 /nfs/dbraw/zinc/91/59/38/571915938.db2.gz LZUWZTAJBIFTMX-FIRIVFDPSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000225552989 571915945 /nfs/dbraw/zinc/91/59/45/571915945.db2.gz KOORTDIAFAYBNO-FIRIVFDPSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225553646 571916247 /nfs/dbraw/zinc/91/62/47/571916247.db2.gz OJTIQZYZWRLHPA-XZWHSSHBSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000225561388 571923578 /nfs/dbraw/zinc/92/35/78/571923578.db2.gz DCCXNILTLAAVQN-KYJUHHDHSA-N 0 0 539.705 5.753 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000225561814 571923872 /nfs/dbraw/zinc/92/38/72/571923872.db2.gz QCSGGKLYOAPZPJ-IOWSJCHKSA-N 0 0 581.742 5.839 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000225561875 571923954 /nfs/dbraw/zinc/92/39/54/571923954.db2.gz IJRFUQPVLYLCFK-CONSDPRKSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225564452 571926463 /nfs/dbraw/zinc/92/64/63/571926463.db2.gz YOIMMBSWBFTIBU-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000225566213 571928332 /nfs/dbraw/zinc/92/83/32/571928332.db2.gz QEFGQYBKIOIBMX-IZLXSDGUSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225569276 571931343 /nfs/dbraw/zinc/93/13/43/571931343.db2.gz HQZZQZKVVDQBAO-LQJZCPKCSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000225569898 571931787 /nfs/dbraw/zinc/93/17/87/571931787.db2.gz MZJPRVUYZTYGND-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225570451 571931929 /nfs/dbraw/zinc/93/19/29/571931929.db2.gz IXNAOZUZMCIQCM-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225570066 571931937 /nfs/dbraw/zinc/93/19/37/571931937.db2.gz IEBTUAZJCJJEON-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1F ZINC000225570307 571931940 /nfs/dbraw/zinc/93/19/40/571931940.db2.gz ZUNBREMQQFWIRE-FQLXRVMXSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1F ZINC000225570390 571932092 /nfs/dbraw/zinc/93/20/92/571932092.db2.gz ZUNBREMQQFWIRE-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000225571100 571932354 /nfs/dbraw/zinc/93/23/54/571932354.db2.gz GAHOEESZOJCAGU-FQLXRVMXSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000225570840 571932411 /nfs/dbraw/zinc/93/24/11/571932411.db2.gz VXAGTIKESYBYQV-FQLXRVMXSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000225571409 571932863 /nfs/dbraw/zinc/93/28/63/571932863.db2.gz RNIODMWTLKREJK-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000225571193 571932894 /nfs/dbraw/zinc/93/28/94/571932894.db2.gz GAHOEESZOJCAGU-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225571663 571933139 /nfs/dbraw/zinc/93/31/39/571933139.db2.gz BEUXEOHXPQKXJL-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572502 571933611 /nfs/dbraw/zinc/93/36/11/571933611.db2.gz KGSWXZGRFQFZQQ-CZNDPXEESA-N 0 0 580.802 6.645 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225573702 571934184 /nfs/dbraw/zinc/93/41/84/571934184.db2.gz PIWLNYYZAZPXCO-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574357 571934803 /nfs/dbraw/zinc/93/48/03/571934803.db2.gz LZTHPAVUECOSRC-LOYHVIPDSA-N 0 0 574.150 6.461 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225575073 571935453 /nfs/dbraw/zinc/93/54/53/571935453.db2.gz PPKIQTYMUDYPGQ-URLMMPGGSA-N 0 0 524.694 5.502 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225590720 571947124 /nfs/dbraw/zinc/94/71/24/571947124.db2.gz SRRIYWLWPZPQHB-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225592571 571948505 /nfs/dbraw/zinc/94/85/05/571948505.db2.gz HPOSFITVOONIBY-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225593335 571949217 /nfs/dbraw/zinc/94/92/17/571949217.db2.gz KTTNMRGKBJSLSF-IZLXSDGUSA-N 0 0 582.532 6.936 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225594382 571950049 /nfs/dbraw/zinc/95/00/49/571950049.db2.gz JYFBJXFUZZLLFT-FQLXRVMXSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225594521 571950053 /nfs/dbraw/zinc/95/00/53/571950053.db2.gz ZCVGCNUCSBYJQN-FQLXRVMXSA-N 0 0 588.665 5.546 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225595293 571950297 /nfs/dbraw/zinc/95/02/97/571950297.db2.gz IMXLGIXAUHXWHQ-BVRKHOPBSA-N 0 0 555.723 6.500 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225603198 571956876 /nfs/dbraw/zinc/95/68/76/571956876.db2.gz NUHXOGCIONIDQD-WDYNHAJCSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000225610723 571962889 /nfs/dbraw/zinc/96/28/89/571962889.db2.gz SIEINTBFOVUBRT-NSOVKSMOSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F ZINC000225611409 571963310 /nfs/dbraw/zinc/96/33/10/571963310.db2.gz UASWHIVDWBEJAX-VSGBNLITSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000225611701 571963692 /nfs/dbraw/zinc/96/36/92/571963692.db2.gz JVLIAGXPFSNWTC-WUFINQPMSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Br ZINC000225612149 571964335 /nfs/dbraw/zinc/96/43/35/571964335.db2.gz OBKVRYBFNYGUDG-IZLXSDGUSA-N 0 0 592.538 6.392 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225613405 571965067 /nfs/dbraw/zinc/96/50/67/571965067.db2.gz SLWZNZVEJJGSBW-KYJUHHDHSA-N 0 0 556.711 5.696 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613509 571965097 /nfs/dbraw/zinc/96/50/97/571965097.db2.gz JBDFKNIMVZSJSI-AJQTZOPKSA-N 0 0 584.765 6.476 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cc(C)cc1C ZINC000225614529 571965548 /nfs/dbraw/zinc/96/55/48/571965548.db2.gz JRKBOLCVZPCNJC-BVRKHOPBSA-N 0 0 555.723 6.555 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1C ZINC000225615099 571966027 /nfs/dbraw/zinc/96/60/27/571966027.db2.gz LQFNITZBXLIOHQ-VMPREFPWSA-N 0 0 562.114 6.591 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225614829 571966058 /nfs/dbraw/zinc/96/60/58/571966058.db2.gz OVIQDICQLXOJLN-URLMMPGGSA-N 0 0 588.665 5.546 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1C ZINC000225614861 571966071 /nfs/dbraw/zinc/96/60/71/571966071.db2.gz OVIQDICQLXOJLN-VMPREFPWSA-N 0 0 588.665 5.546 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)ccn1 ZINC000225615647 571966286 /nfs/dbraw/zinc/96/62/86/571966286.db2.gz RUJYEZXWNSTBML-VSGBNLITSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000225629015 571980875 /nfs/dbraw/zinc/98/08/75/571980875.db2.gz MCTCIUGXVXVNSY-CONSDPRKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000225628948 571980918 /nfs/dbraw/zinc/98/09/18/571980918.db2.gz MCTCIUGXVXVNSY-FIRIVFDPSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(F)c1 ZINC000225629634 571981872 /nfs/dbraw/zinc/98/18/72/571981872.db2.gz NMNQNWUFHXCYAU-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225629932 571981901 /nfs/dbraw/zinc/98/19/01/571981901.db2.gz OTDSFDAQLYPAIZ-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225629910 571981995 /nfs/dbraw/zinc/98/19/95/571981995.db2.gz OTDSFDAQLYPAIZ-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225630810 571982718 /nfs/dbraw/zinc/98/27/18/571982718.db2.gz QNIGNOKRGICYPF-IOWSJCHKSA-N 0 0 553.732 6.116 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225631989 571984145 /nfs/dbraw/zinc/98/41/45/571984145.db2.gz SPVOBWJCDAFCBW-AJQTZOPKSA-N 0 0 551.760 6.724 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c([N+](=O)[O-])c1 ZINC000225632508 571984623 /nfs/dbraw/zinc/98/46/23/571984623.db2.gz OGWWFMIJQLFRJP-FIRIVFDPSA-N 0 0 598.729 6.024 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ncccc1C ZINC000225633285 571984938 /nfs/dbraw/zinc/98/49/38/571984938.db2.gz DUAYGPWXHKYDTM-FQLXRVMXSA-N 0 0 538.721 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225633248 571985053 /nfs/dbraw/zinc/98/50/53/571985053.db2.gz VRUAVXSJSGMAME-KYJUHHDHSA-N 0 0 538.721 5.811 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225632906 571985083 /nfs/dbraw/zinc/98/50/83/571985083.db2.gz RJZNYAKTSXWRJY-CONSDPRKSA-N 0 0 588.177 6.769 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225633479 571985478 /nfs/dbraw/zinc/98/54/78/571985478.db2.gz VGEUVGDAJWJEGC-KYJUHHDHSA-N 0 0 538.721 5.811 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000225639097 571990406 /nfs/dbraw/zinc/99/04/06/571990406.db2.gz CZHZEQAHTVDJPZ-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225639397 571990673 /nfs/dbraw/zinc/99/06/73/571990673.db2.gz YLRGJAPLFOKUHG-JSOSNVBQSA-N 0 0 581.742 5.894 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225639513 571990742 /nfs/dbraw/zinc/99/07/42/571990742.db2.gz XTJJBKVRWIVLKE-IOWSJCHKSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225641736 571992047 /nfs/dbraw/zinc/99/20/47/571992047.db2.gz MDWNESYMMGRSJA-CZNDPXEESA-N 0 0 594.785 5.635 40 10 KKCBRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000225642369 571992408 /nfs/dbraw/zinc/99/24/08/571992408.db2.gz KOPMEAZIPOUTEM-WDYNHAJCSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccn1 ZINC000225643226 571992746 /nfs/dbraw/zinc/99/27/46/571992746.db2.gz UBKAVVFTIAPYJU-IZLXSDGUSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225646097 571995100 /nfs/dbraw/zinc/99/51/00/571995100.db2.gz TYKGMMRLLVMOGA-SAIUNTKASA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225646679 571995667 /nfs/dbraw/zinc/99/56/67/571995667.db2.gz SUANQRVUIMGGFC-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225647214 571995979 /nfs/dbraw/zinc/99/59/79/571995979.db2.gz OMTXKJDDKQAFJV-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225648013 571996941 /nfs/dbraw/zinc/99/69/41/571996941.db2.gz VRGDKUMLCLDIBZ-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000225647908 571997057 /nfs/dbraw/zinc/99/70/57/571997057.db2.gz JHUHJWPFTUBBNP-URLMMPGGSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1O ZINC000225648126 571997075 /nfs/dbraw/zinc/99/70/75/571997075.db2.gz XKCOIZIQHAGTJI-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1c(C)cccc1C ZINC000225649550 571998188 /nfs/dbraw/zinc/99/81/88/571998188.db2.gz BFZXBXXZHULKFM-BVRKHOPBSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225649123 571998223 /nfs/dbraw/zinc/99/82/23/571998223.db2.gz AOTVMLNGYXDQMK-WDYNHAJCSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225650884 571999186 /nfs/dbraw/zinc/99/91/86/571999186.db2.gz HALRQFYZASGGIL-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000225660500 572005769 /nfs/dbraw/zinc/00/57/69/572005769.db2.gz IZFPDNYWJWFAFY-SAIUNTKASA-N 0 0 610.784 5.336 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225665031 572008619 /nfs/dbraw/zinc/00/86/19/572008619.db2.gz VFRFHLWLLXNUTI-SAIUNTKASA-N 0 0 575.738 6.652 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000225665058 572008795 /nfs/dbraw/zinc/00/87/95/572008795.db2.gz VFRFHLWLLXNUTI-JHOUSYSJSA-N 0 0 575.738 6.652 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225666012 572009029 /nfs/dbraw/zinc/00/90/29/572009029.db2.gz AQYDMTNNSCXERT-FIRIVFDPSA-N 0 0 553.732 6.061 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000225665881 572009116 /nfs/dbraw/zinc/00/91/16/572009116.db2.gz WTDJGFQOIUSIQL-VMPREFPWSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225667069 572009868 /nfs/dbraw/zinc/00/98/68/572009868.db2.gz YRXYSNUMLHDHOG-FQLXRVMXSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225667198 572009881 /nfs/dbraw/zinc/00/98/81/572009881.db2.gz RXEULPSFODLTGV-FQLXRVMXSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000225667235 572009888 /nfs/dbraw/zinc/00/98/88/572009888.db2.gz ZDQWEESISROZQL-VMPREFPWSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000225667413 572009906 /nfs/dbraw/zinc/00/99/06/572009906.db2.gz XODMNMBNIMHIPL-URLMMPGGSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000225668600 572010706 /nfs/dbraw/zinc/01/07/06/572010706.db2.gz DCZCDHCAGIALGD-FQLXRVMXSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000225668730 572010869 /nfs/dbraw/zinc/01/08/69/572010869.db2.gz MHWVOCRQWWLYCJ-FQLXRVMXSA-N 0 0 594.568 6.806 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225669678 572011240 /nfs/dbraw/zinc/01/12/40/572011240.db2.gz KGXGASRFFBAZSO-IHLOFXLRSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225670260 572011894 /nfs/dbraw/zinc/01/18/94/572011894.db2.gz VTLKQQWHZVJSAI-KYJUHHDHSA-N 0 0 600.701 5.416 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225677953 572016828 /nfs/dbraw/zinc/01/68/28/572016828.db2.gz BHSPJDXOQVGOJJ-LOYHVIPDSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccn1 ZINC000225681776 572019135 /nfs/dbraw/zinc/01/91/35/572019135.db2.gz YPEXRGKAKXXRMM-WUFINQPMSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000225685260 572021532 /nfs/dbraw/zinc/02/15/32/572021532.db2.gz LLHKYMVAHKMQQG-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C ZINC000225685165 572021588 /nfs/dbraw/zinc/02/15/88/572021588.db2.gz NYAMJAJDNNHLEL-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(F)(F)F ZINC000225685447 572021994 /nfs/dbraw/zinc/02/19/94/572021994.db2.gz IAOLEHHZSNIZLQ-FQLXRVMXSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225685960 572022479 /nfs/dbraw/zinc/02/24/79/572022479.db2.gz ACBLJWOLZUOLFV-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Br ZINC000225686313 572022881 /nfs/dbraw/zinc/02/28/81/572022881.db2.gz CQCBSQBJNWQHEO-VMPREFPWSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000225688064 572023916 /nfs/dbraw/zinc/02/39/16/572023916.db2.gz VONPAERYPWBXNY-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225688129 572023943 /nfs/dbraw/zinc/02/39/43/572023943.db2.gz VSMMVUPQCOECHM-LOYHVIPDSA-N 0 0 553.688 5.528 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225688310 572024337 /nfs/dbraw/zinc/02/43/37/572024337.db2.gz QGFBANKMFCJBSB-XDFJSJKPSA-N 0 0 551.760 6.724 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000225691813 572026425 /nfs/dbraw/zinc/02/64/25/572026425.db2.gz AOVNHRZOLIDGKA-UHFFFAOYSA-N 0 0 527.690 5.858 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)c1 ZINC000225696706 572029238 /nfs/dbraw/zinc/02/92/38/572029238.db2.gz OTMHDMMQEOKGDJ-KYJUHHDHSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000225703921 572034899 /nfs/dbraw/zinc/03/48/99/572034899.db2.gz RTKHYKLTLQJJLH-ROJLCIKYSA-N 0 0 545.712 6.644 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225704634 572035304 /nfs/dbraw/zinc/03/53/04/572035304.db2.gz BIROKEFKZIVXPK-SZAHLOSFSA-N 0 0 573.766 7.206 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Cl ZINC000225705027 572035579 /nfs/dbraw/zinc/03/55/79/572035579.db2.gz XGWGNHMDWHXQMO-ROJLCIKYSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1Cl ZINC000225705096 572035583 /nfs/dbraw/zinc/03/55/83/572035583.db2.gz XGWGNHMDWHXQMO-ACHIHNKUSA-N 0 0 580.157 7.297 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1O ZINC000225705798 572036189 /nfs/dbraw/zinc/03/61/89/572036189.db2.gz RAOWHXFMEDJPJI-ACHIHNKUSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1O ZINC000225705771 572036281 /nfs/dbraw/zinc/03/62/81/572036281.db2.gz RAOWHXFMEDJPJI-AJQTZOPKSA-N 0 0 561.711 6.349 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706159 572036721 /nfs/dbraw/zinc/03/67/21/572036721.db2.gz ZDJQKKSZGCIJNO-LQJZCPKCSA-N 0 0 575.738 6.652 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C)c1C ZINC000225707024 572037226 /nfs/dbraw/zinc/03/72/26/572037226.db2.gz ZREYMKFIVBMNEX-NOCHOARKSA-N 0 0 573.766 7.260 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)c([N+](=O)[O-])c1 ZINC000225707948 572038037 /nfs/dbraw/zinc/03/80/37/572038037.db2.gz GARBKZJKUOOEAS-SAIUNTKASA-N 0 0 620.735 6.560 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1C ZINC000225707747 572038070 /nfs/dbraw/zinc/03/80/70/572038070.db2.gz WCOMBUPZNOIIAE-JHOUSYSJSA-N 0 0 594.184 7.605 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225707857 572038145 /nfs/dbraw/zinc/03/81/45/572038145.db2.gz ABVQIVBZSPEYMI-JHOUSYSJSA-N 0 0 620.735 6.560 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708437 572038482 /nfs/dbraw/zinc/03/84/82/572038482.db2.gz FFGLEJOGIKOEAY-JHOUSYSJSA-N 0 0 620.735 6.560 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225708500 572038598 /nfs/dbraw/zinc/03/85/98/572038598.db2.gz OGXIJLNKLYLDPN-VLZNPVHKSA-N 0 0 587.793 7.514 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C)ccn1 ZINC000225708642 572038827 /nfs/dbraw/zinc/03/88/27/572038827.db2.gz PFRXOCCXFRQBAI-ZWXJPIIXSA-N 0 0 560.727 6.347 40 10 KKCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225792564 572069470 /nfs/dbraw/zinc/06/94/70/572069470.db2.gz NMHGOIFVMAFHRP-FQEVSTJZSA-N 0 0 556.153 6.041 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000225806011 572072627 /nfs/dbraw/zinc/07/26/27/572072627.db2.gz VEKXQAAKTGWQOK-LJQANCHMSA-N 0 0 542.126 5.795 40 10 KKCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2)C1 ZINC000225806367 572072740 /nfs/dbraw/zinc/07/27/40/572072740.db2.gz NVOXNQXRHPPSOL-IBGZPJMESA-N 0 0 542.126 5.480 40 10 KKCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225808811 572073670 /nfs/dbraw/zinc/07/36/70/572073670.db2.gz APROHGONGKRMKI-UHFFFAOYSA-N 0 0 516.088 5.089 40 10 KKCBRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225951926 572085906 /nfs/dbraw/zinc/08/59/06/572085906.db2.gz WFRNZCOQKSEKCI-SZPZYZBQSA-N 0 0 507.752 5.036 40 10 KKCBRN CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952412 572086444 /nfs/dbraw/zinc/08/64/44/572086444.db2.gz IPCBTSCUQRQNQF-JOCHJYFZSA-N 0 0 507.752 5.036 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1 ZINC000225954413 572087010 /nfs/dbraw/zinc/08/70/10/572087010.db2.gz VIDRPYFAMDAKSP-UHFFFAOYSA-N 0 0 536.705 5.918 40 10 KKCBRN C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225954228 572087088 /nfs/dbraw/zinc/08/70/88/572087088.db2.gz OVPZYQKXHLWZPQ-DHIUTWEWSA-N 0 0 521.779 5.426 40 10 KKCBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408526272 572157102 /nfs/dbraw/zinc/15/71/02/572157102.db2.gz AOSQIDYPFSCZLJ-SSZFMOIBSA-N 0 0 547.874 5.546 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408528996 572166463 /nfs/dbraw/zinc/16/64/63/572166463.db2.gz GHKJHZMMJPVTKI-IUXPMGMMSA-N 0 0 529.880 5.564 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccc(I)cc1 ZINC000408531596 572176504 /nfs/dbraw/zinc/17/65/04/572176504.db2.gz KWPOUFZSBWGEGQ-YBEGLDIGSA-N 0 0 510.173 5.389 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408533242 572182676 /nfs/dbraw/zinc/18/26/76/572182676.db2.gz OHDLXAHPOIUCGP-VQNDASPWSA-N 0 0 545.771 8.341 40 10 KKCBRN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)c(C)c1 ZINC000408535716 572189180 /nfs/dbraw/zinc/18/91/80/572189180.db2.gz ZVBKDFCVZIPGNK-ZHZULCJRSA-N 0 0 533.492 5.123 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408536614 572191586 /nfs/dbraw/zinc/19/15/86/572191586.db2.gz WVNNCRFBEVLKLM-VQNDASPWSA-N 0 0 588.796 8.050 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408536631 572191844 /nfs/dbraw/zinc/19/18/44/572191844.db2.gz WXJZIZOILLCHCZ-IVQJCJPDSA-N 0 0 655.847 6.390 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C ZINC000408537076 572193296 /nfs/dbraw/zinc/19/32/96/572193296.db2.gz YZZMFJZNRSOYMW-XYGWBWBKSA-N 0 0 575.551 7.270 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(Br)c(C)c1 ZINC000408537238 572193682 /nfs/dbraw/zinc/19/36/82/572193682.db2.gz ZRLNEQNPLKHHMD-XYGWBWBKSA-N 0 0 504.472 6.944 40 10 KKCBRN CCOc1cc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537933 572196548 /nfs/dbraw/zinc/19/65/48/572196548.db2.gz IEQQOFZSTDRVLC-UHFFFAOYSA-N 0 0 624.693 7.827 40 10 KKCBRN COc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538530 572198684 /nfs/dbraw/zinc/19/86/84/572198684.db2.gz OJTJAACKDAVMEW-UHFFFAOYSA-N 0 0 543.428 5.074 40 10 KKCBRN COc1cc(COc2c(Cl)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)ccc1OCc1ccccc1 ZINC000408538649 572199041 /nfs/dbraw/zinc/19/90/41/572199041.db2.gz BAQOEXKOGWLHTL-YUMHPJSZSA-N 0 0 569.057 7.321 40 10 KKCBRN COc1cc(COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408538741 572199507 /nfs/dbraw/zinc/19/95/07/572199507.db2.gz QBHBTKPRPHGYAL-UHFFFAOYSA-N 0 0 689.562 8.199 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539537 572202559 /nfs/dbraw/zinc/20/25/59/572202559.db2.gz XCXAIEKCJPLNFU-UHFFFAOYSA-N 0 0 640.692 7.445 40 10 KKCBRN COc1cc(COc2c(Br)cc(C=C3SC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539618 572202913 /nfs/dbraw/zinc/20/29/13/572202913.db2.gz ITEGJXCUXAZDKG-YDZHTSKRSA-N 0 0 572.502 6.113 40 10 KKCBRN CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408539708 572203297 /nfs/dbraw/zinc/20/32/97/572203297.db2.gz JMRIXBHLOMIXKM-BRPDVVIDSA-N 0 0 597.509 7.812 40 10 KKCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408539803 572203382 /nfs/dbraw/zinc/20/33/82/572203382.db2.gz YZRKEZXJCMYRDU-UHFFFAOYSA-N 0 0 537.443 7.536 40 10 KKCBRN CCOc1cc(COc2c(Cl)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540240 572205037 /nfs/dbraw/zinc/20/50/37/572205037.db2.gz OZCQZDSKUUSEMI-AFUMVMLFSA-N 0 0 571.482 6.657 40 10 KKCBRN COc1cc(COc2c(Br)cc(/C=C3/SC(NC(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540227 572205107 /nfs/dbraw/zinc/20/51/07/572205107.db2.gz OVNFZSVOJIIDHW-AFUMVMLFSA-N 0 0 597.487 5.731 40 10 KKCBRN CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2Br)ccc1OCc1ccccc1 ZINC000408540440 572205904 /nfs/dbraw/zinc/20/59/04/572205904.db2.gz RVWCLEMIATYDBI-YUMHPJSZSA-N 0 0 676.405 8.574 40 10 KKCBRN CCOc1cc(COc2ccc(/C=C3/SC(NC(C)=O)=NC3=O)cc2)ccc1OCc1ccccc1 ZINC000408541154 572207883 /nfs/dbraw/zinc/20/78/83/572207883.db2.gz YBNJXDBHLDTVLG-WGOQTCKBSA-N 0 0 502.592 5.350 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550114 572233420 /nfs/dbraw/zinc/23/34/20/572233420.db2.gz BPQYXPYNNGCMFC-UHFFFAOYSA-N 0 0 709.380 7.756 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408550060 572233544 /nfs/dbraw/zinc/23/35/44/572233544.db2.gz DDGXINKCYPBTIB-YZSQISJMSA-N 0 0 515.635 5.332 40 10 KKCBRN O=C(COc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550422 572234326 /nfs/dbraw/zinc/23/43/26/572234326.db2.gz DUIQEDRWMDRSOA-XKZIYDEJSA-N 0 0 700.214 8.370 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550711 572234602 /nfs/dbraw/zinc/23/46/02/572234602.db2.gz GQJSDPPKFXMCTM-UHFFFAOYSA-N 0 0 756.380 7.598 40 10 KKCBRN O=C(COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408551330 572236162 /nfs/dbraw/zinc/23/61/62/572236162.db2.gz KEGJBFKKIULOQE-UQQQWYQISA-N 0 0 542.422 6.845 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551887 572237239 /nfs/dbraw/zinc/23/72/39/572237239.db2.gz NFSIMAHXTSHKEO-IWIPYMOSSA-N 0 0 665.371 8.007 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552086 572237845 /nfs/dbraw/zinc/23/78/45/572237845.db2.gz HESIUXLTDIVPLT-UHFFFAOYSA-N 0 0 665.327 7.357 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552597 572238666 /nfs/dbraw/zinc/23/86/66/572238666.db2.gz KDRBZVLCDXBFMP-UCQKPKSFSA-N 0 0 651.344 7.617 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408571502 572257159 /nfs/dbraw/zinc/25/71/59/572257159.db2.gz BISZFMRVHACHKQ-HAHDFKILSA-N 0 0 542.604 6.167 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)c1 ZINC000408572605 572257895 /nfs/dbraw/zinc/25/78/95/572257895.db2.gz HIYULXKIRSBICJ-UCQKPKSFSA-N 0 0 506.605 5.127 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c(C)c1 ZINC000408572689 572258038 /nfs/dbraw/zinc/25/80/38/572258038.db2.gz HQKFWPKOWUULIM-UCQKPKSFSA-N 0 0 506.624 6.174 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408572754 572258086 /nfs/dbraw/zinc/25/80/86/572258086.db2.gz IBKJHZWSURTOGV-UCQKPKSFSA-N 0 0 525.051 5.768 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cc(C)cc4C)c3)SC2=S)cc1 ZINC000408574695 572259869 /nfs/dbraw/zinc/25/98/69/572259869.db2.gz BUGSTEDCVZKXJA-IWIPYMOSSA-N 0 0 502.661 6.344 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408574893 572260003 /nfs/dbraw/zinc/26/00/03/572260003.db2.gz MZYXKYCSJZKJMC-HAHDFKILSA-N 0 0 509.052 6.326 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)SC2=S)cc1 ZINC000408575234 572260357 /nfs/dbraw/zinc/26/03/57/572260357.db2.gz HXWDFGPUTWXZJT-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1Cl ZINC000408575303 572260362 /nfs/dbraw/zinc/26/03/62/572260362.db2.gz NRMXUQUIFKDWQF-NDENLUEZSA-N 0 0 533.433 6.556 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)NCc3ccccc3)SC2=S)cc1 ZINC000408575297 572260396 /nfs/dbraw/zinc/26/03/96/572260396.db2.gz JEEDLIQBIQSDDH-JLPGSUDCSA-N 0 0 504.633 5.186 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408575377 572260475 /nfs/dbraw/zinc/26/04/75/572260475.db2.gz OCBKHAJPBMCVBH-QRVIBDJDSA-N 0 0 601.519 6.637 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(OC)cc3)SC2=S)cc1 ZINC000408576531 572261342 /nfs/dbraw/zinc/26/13/42/572261342.db2.gz WEGNLSMWKLQYNM-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408576698 572261381 /nfs/dbraw/zinc/26/13/81/572261381.db2.gz QMQNEXFZQASAIT-RMORIDSASA-N 0 0 559.496 6.421 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408576723 572261408 /nfs/dbraw/zinc/26/14/08/572261408.db2.gz QPZPGIAOMKULBK-MYYYXRDXSA-N 0 0 553.105 6.466 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1C ZINC000408577156 572261783 /nfs/dbraw/zinc/26/17/83/572261783.db2.gz RMHBIGYIBKFPOD-UCQKPKSFSA-N 0 0 509.052 6.380 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1cccc(Cl)c1Cl ZINC000408577204 572261880 /nfs/dbraw/zinc/26/18/80/572261880.db2.gz RWMDNNUYXZFGFC-BKUYFWCQSA-N 0 0 529.470 6.412 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000408577678 572262216 /nfs/dbraw/zinc/26/22/16/572262216.db2.gz UGGUPHPMJCAGCI-BWAHOGKJSA-N 0 0 502.661 5.710 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OCC)c3)SC2=S)cc1 ZINC000408578212 572262827 /nfs/dbraw/zinc/26/28/27/572262827.db2.gz WVQPHSZQKOXLIE-XYGWBWBKSA-N 0 0 613.555 6.670 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408578153 572262841 /nfs/dbraw/zinc/26/28/41/572262841.db2.gz WESIWWKSWQQNEF-FMCGGJTJSA-N 0 0 593.941 7.469 40 10 KKCBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000408578573 572263209 /nfs/dbraw/zinc/26/32/09/572263209.db2.gz YWCDYJHAWBCQQR-QRVIBDJDSA-N 0 0 509.052 6.067 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000408578608 572263276 /nfs/dbraw/zinc/26/32/76/572263276.db2.gz ZFVWDALHXLTXEO-JLPGSUDCSA-N 0 0 504.633 5.504 40 10 KKCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408600326 572272418 /nfs/dbraw/zinc/27/24/18/572272418.db2.gz BODCXLGKHJVCJJ-LSCVHKIXSA-N 0 0 517.297 7.197 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000408600264 572272429 /nfs/dbraw/zinc/27/24/29/572272429.db2.gz XUJRTYPGOMTVPC-FBHDLOMBSA-N 0 0 508.398 7.256 40 10 KKCBRN O=C1C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408602477 572273262 /nfs/dbraw/zinc/27/32/62/572273262.db2.gz OLHCVGBCXKRBEY-UHFFFAOYSA-N 0 0 513.893 6.092 40 10 KKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408603507 572273586 /nfs/dbraw/zinc/27/35/86/572273586.db2.gz RKXWEZBTCOUNGJ-VCHYOVAHSA-N 0 0 525.877 5.684 40 10 KKCBRN O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408603598 572273742 /nfs/dbraw/zinc/27/37/42/572273742.db2.gz RWLLKBIBIRYGCV-UHFFFAOYSA-N 0 0 503.341 6.837 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000408604644 572274077 /nfs/dbraw/zinc/27/40/77/572274077.db2.gz VXHCKXFBQNHUCV-FBHDLOMBSA-N 0 0 569.304 7.880 40 10 KKCBRN O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408661391 572308980 /nfs/dbraw/zinc/30/89/80/572308980.db2.gz QQLDGPOHTXIJFH-BWGIGBOHSA-N 0 0 633.531 7.554 40 10 KKCBRN Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1C ZINC000408666684 572312329 /nfs/dbraw/zinc/31/23/29/572312329.db2.gz OQBQPFMTZQQTSQ-UHFFFAOYSA-N 0 0 589.486 7.302 40 10 KKCBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)c1 ZINC000408669643 572314137 /nfs/dbraw/zinc/31/41/37/572314137.db2.gz XUYVYACNBGJHQS-UHFFFAOYSA-N 0 0 557.559 5.840 40 10 KKCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 ZINC000260567828 572322613 /nfs/dbraw/zinc/32/26/13/572322613.db2.gz MVPUIWKYYGTZNK-HNEZCVDCSA-N 0 0 528.074 6.136 40 10 KKCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C ZINC000260573715 572322749 /nfs/dbraw/zinc/32/27/49/572322749.db2.gz ZLOURKJHLIWDMT-OYPWENPISA-N 0 0 512.075 6.354 40 10 KKCBRN CC(=O)[C@@H](N=Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H](N=Nc3ccc(Cl)cc3Cl)C(C)=O)c(C)c2)cc1C ZINC000095866422 1069688313 /nfs/dbraw/zinc/68/83/13/1069688313.db2.gz JFMYRCRXYIIGBB-ZWGIPOMMSA-N 0 0 726.448 9.944 40 10 KKCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccco1 ZINC000097957612 1069689998 /nfs/dbraw/zinc/68/99/98/1069689998.db2.gz UBRITXXCFJZSJS-LDADJPATSA-N 0 0 540.420 5.244 40 10 KKCBRN O=C1/C(=C\c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000097957616 1069690722 /nfs/dbraw/zinc/69/07/22/1069690722.db2.gz QKGIEFCULNULTI-CIAFOILYSA-N 0 0 550.017 5.270 40 10 KKCBRN CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000102687590 1069707200 /nfs/dbraw/zinc/70/72/00/1069707200.db2.gz PDSKTXSBFGTOID-AHDHHBBCSA-N 0 0 511.672 6.900 40 10 KKCBRN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000102686389 1069705979 /nfs/dbraw/zinc/70/59/79/1069705979.db2.gz KNGDOQKFLOYANO-KOEQRZSOSA-N 0 0 521.086 6.684 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000102686392 1069706146 /nfs/dbraw/zinc/70/61/46/1069706146.db2.gz ZDOBWZJPTMWKKE-NLRVBDNBSA-N 0 0 535.113 7.074 40 10 KKCBRN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1Cl ZINC000102686466 1069706755 /nfs/dbraw/zinc/70/67/55/1069706755.db2.gz SGPITDOFVZQKHX-XQNSMLJCSA-N 0 0 528.099 6.219 40 10 KKCBRN CCOc1ccc(C(=O)C(=NNc2ccc([N+](=O)[O-])cc2)Sc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000103796025 1069713696 /nfs/dbraw/zinc/71/36/96/1069713696.db2.gz WQAXCOMGELFNCC-TZZCOHIRSA-N 0 0 575.647 8.148 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408873336 1069747996 /nfs/dbraw/zinc/74/79/96/1069747996.db2.gz TYGZFDXUAWJTIA-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000409090312 1069775125 /nfs/dbraw/zinc/77/51/25/1069775125.db2.gz OVFBGZLTVGRYRY-JLPGSUDCSA-N 0 0 557.419 7.010 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1c1ccccc1 ZINC000409132090 1069783405 /nfs/dbraw/zinc/78/34/05/1069783405.db2.gz LABZTROLIKKNHF-FMCGGJTJSA-N 0 0 539.907 7.511 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)S1)c1ccccc1 ZINC000409137138 1069787765 /nfs/dbraw/zinc/78/77/65/1069787765.db2.gz UCTVTFCTBBSWAE-BKUYFWCQSA-N 0 0 511.372 5.568 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339138 1069805567 /nfs/dbraw/zinc/80/55/67/1069805567.db2.gz FFHDJSKDGBMWKN-UUYOSTAYSA-N 0 0 568.545 6.008 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n32)c1 ZINC000408768067 1069872064 /nfs/dbraw/zinc/87/20/64/1069872064.db2.gz SQYYWGBRGNTVPJ-QQMBNGEASA-N 0 0 643.596 6.597 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408773760 1069888190 /nfs/dbraw/zinc/88/81/90/1069888190.db2.gz SJGPYQYTXPEEPU-YQYKVWLJSA-N 0 0 561.751 7.757 40 10 KKCBRN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c1C)CCCC2 ZINC000408779322 1069899731 /nfs/dbraw/zinc/89/97/31/1069899731.db2.gz VCEJNEZDEGUWKA-USHMODERSA-N 0 0 623.800 7.186 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821553 1069997618 /nfs/dbraw/zinc/99/76/18/1069997618.db2.gz IUBNLXTUXQVIMQ-AOFXREQWSA-N 0 0 611.808 6.291 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408821151 1069995922 /nfs/dbraw/zinc/99/59/22/1069995922.db2.gz CYBMHPHEQNTBCM-PECNEJNESA-N 0 0 682.242 6.837 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000408828901 1070004312 /nfs/dbraw/zinc/00/43/12/1070004312.db2.gz NCFXNNMNWVWZDL-WYEJZRMESA-N 0 0 514.822 7.656 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000408837414 1070030394 /nfs/dbraw/zinc/03/03/94/1070030394.db2.gz DYUVCOWMIFKKOU-QQMBNGEASA-N 0 0 566.101 6.519 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408846090 1070053314 /nfs/dbraw/zinc/05/33/14/1070053314.db2.gz OQLGXQDTPKFKEK-BJTUUJGZSA-N 0 0 582.682 5.707 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Br)cc2)cc1 ZINC000408848694 1070060830 /nfs/dbraw/zinc/06/08/30/1070060830.db2.gz XUPXPAFYTLFQRF-PXLXIMEGSA-N 0 0 526.228 6.445 40 10 KKCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408858227 1070069347 /nfs/dbraw/zinc/06/93/47/1070069347.db2.gz XVMXFOOOZIOOCJ-RDRPBHBLSA-N 0 0 643.589 6.983 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408859559 1070075849 /nfs/dbraw/zinc/07/58/49/1070075849.db2.gz VDHIPUFRTLVIOD-ULJHMMPZSA-N 0 0 527.374 6.601 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C)c1OCc1ccc(Br)cc1 ZINC000408855442 1070074412 /nfs/dbraw/zinc/07/44/12/1070074412.db2.gz FCIMUJVHEPBWRF-HYARGMPZSA-N 0 0 510.478 7.051 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408865747 1070083419 /nfs/dbraw/zinc/08/34/19/1070083419.db2.gz FAZIURXNESCMGH-UHFFFAOYSA-N 0 0 506.533 6.009 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408867251 1070087448 /nfs/dbraw/zinc/08/74/48/1070087448.db2.gz KXHYJOVRAITSEV-UHFFFAOYSA-N 0 0 642.493 7.091 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408868845 1070090099 /nfs/dbraw/zinc/09/00/99/1070090099.db2.gz NRCFEJWNIHFMFN-UHFFFAOYSA-N 0 0 696.566 7.780 40 10 KKCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408868975 1070090758 /nfs/dbraw/zinc/09/07/58/1070090758.db2.gz QIIAHTXGPYGVEO-OGLMXYFKSA-N 0 0 597.133 6.043 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408873110 1070098734 /nfs/dbraw/zinc/09/87/34/1070098734.db2.gz MZWXYQAAPCTYJN-WPWMEQJKSA-N 0 0 671.986 7.508 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408871744 1070096020 /nfs/dbraw/zinc/09/60/20/1070096020.db2.gz WYWGQGZWNPKVCK-UHFFFAOYSA-N 0 0 597.465 7.010 40 10 KKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000408871963 1070096618 /nfs/dbraw/zinc/09/66/18/1070096618.db2.gz IMHRLNBXNZIMLD-SWYRRKHMSA-N 0 0 534.450 7.040 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880124 1070105658 /nfs/dbraw/zinc/10/56/58/1070105658.db2.gz FWZDOYVXJPVAPI-UHFFFAOYSA-N 0 0 555.403 6.762 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408876375 1070109602 /nfs/dbraw/zinc/10/96/02/1070109602.db2.gz OCQDHLCZALBNOB-UHFFFAOYSA-N 0 0 543.019 6.806 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408876394 1070109616 /nfs/dbraw/zinc/10/96/16/1070109616.db2.gz OGTIDHZITVIZEW-UXHLAJHPSA-N 0 0 696.019 7.272 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408876280 1070109638 /nfs/dbraw/zinc/10/96/38/1070109638.db2.gz KNTNYUBSZJCGDV-WYEJZRMESA-N 0 0 610.173 8.933 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408883318 1070129143 /nfs/dbraw/zinc/12/91/43/1070129143.db2.gz PDLXXDFSXWUQMN-UHFFFAOYSA-N 0 0 615.524 7.326 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408886246 1070135379 /nfs/dbraw/zinc/13/53/79/1070135379.db2.gz IZPCEFXMPLQBQN-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408892616 1070153625 /nfs/dbraw/zinc/15/36/25/1070153625.db2.gz CFOSUDZKFDNTTF-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901255 1070166694 /nfs/dbraw/zinc/16/66/94/1070166694.db2.gz CQCJWVJQNYEZFP-UDWIEESQSA-N 0 0 595.765 7.850 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000408901398 1070167707 /nfs/dbraw/zinc/16/77/07/1070167707.db2.gz DZLBSBGOZSARKZ-RGVLZGJSSA-N 0 0 638.218 6.420 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408901525 1070168592 /nfs/dbraw/zinc/16/85/92/1070168592.db2.gz GGVSNCXKMKOROL-UDWIEESQSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901981 1070170224 /nfs/dbraw/zinc/17/02/24/1070170224.db2.gz JNERFULCRFLHEE-UDWIEESQSA-N 0 0 673.310 7.020 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408897727 1070172487 /nfs/dbraw/zinc/17/24/87/1070172487.db2.gz SSDYMCUVBGYNKQ-UHFFFAOYSA-N 0 0 588.641 6.499 40 10 KKCBRN Cc1cc(C)cc(COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408898096 1070174029 /nfs/dbraw/zinc/17/40/29/1070174029.db2.gz KNTLNRWWZVLFOM-UHFFFAOYSA-N 0 0 553.083 7.284 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408902798 1070184930 /nfs/dbraw/zinc/18/49/30/1070184930.db2.gz ROARZPPRQZEALV-YBFXNURJSA-N 0 0 560.673 7.250 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408903415 1070186321 /nfs/dbraw/zinc/18/63/21/1070186321.db2.gz XKWGTSDPGFWIJO-FYJGNVAPSA-N 0 0 512.322 5.815 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408903268 1070186395 /nfs/dbraw/zinc/18/63/95/1070186395.db2.gz WSIKIZZFUMGBQT-YZSQISJMSA-N 0 0 576.537 7.986 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408903482 1070187242 /nfs/dbraw/zinc/18/72/42/1070187242.db2.gz YLOUNTUQNZIABU-HZHRSRAPSA-N 0 0 587.504 6.983 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408903505 1070187248 /nfs/dbraw/zinc/18/72/48/1070187248.db2.gz YWCJRSVZUKODPI-KGENOOAVSA-N 0 0 529.424 6.276 40 10 KKCBRN COCCCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C ZINC000408907944 1070192575 /nfs/dbraw/zinc/19/25/75/1070192575.db2.gz QLPGUVKSZCPLOX-PCLIKHOPSA-N 0 0 667.995 6.340 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408910500 1070201411 /nfs/dbraw/zinc/20/14/11/1070201411.db2.gz INQHPBRGCMWOAI-UOZQHNDTSA-N 0 0 603.744 5.742 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)sc2=N1 ZINC000408919740 1070222839 /nfs/dbraw/zinc/22/28/39/1070222839.db2.gz BUVFDFJNAIEFLT-KFOJKGMOSA-N 0 0 707.678 7.022 40 10 KKCBRN CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N(C)C1=O ZINC000408920355 1070225125 /nfs/dbraw/zinc/22/51/25/1070225125.db2.gz ISVBKVFNUBOCMC-UHFFFAOYSA-N 0 0 671.056 5.215 40 10 KKCBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1 ZINC000408927389 1070246509 /nfs/dbraw/zinc/24/65/09/1070246509.db2.gz WIXUMYRLDRZCQF-USDTVRPUSA-N 0 0 571.768 5.625 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000408929468 1070256228 /nfs/dbraw/zinc/25/62/28/1070256228.db2.gz JWEXUGHMBJVJAA-PCLIKHOPSA-N 0 0 521.459 5.796 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408930006 1070258505 /nfs/dbraw/zinc/25/85/05/1070258505.db2.gz QSXSWYWXEOMYHD-MTJSOVHGSA-N 0 0 529.232 5.712 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408935335 1070273543 /nfs/dbraw/zinc/27/35/43/1070273543.db2.gz CWYMFCJRMZLFSM-CIAFOILYSA-N 0 0 539.813 6.132 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939109 1070281507 /nfs/dbraw/zinc/28/15/07/1070281507.db2.gz MVBQZFNRKWIAAN-ZXXDOZTISA-N 0 0 696.269 7.225 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n21 ZINC000408941750 1070282030 /nfs/dbraw/zinc/28/20/30/1070282030.db2.gz CZAZSNDNHBNRSE-YRSDHNRQSA-N 0 0 665.566 5.274 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1ccccc1F ZINC000408940199 1070284766 /nfs/dbraw/zinc/28/47/66/1070284766.db2.gz UOLZBOHRGNFYAU-FYJGNVAPSA-N 0 0 584.385 5.850 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408944812 1070298388 /nfs/dbraw/zinc/29/83/88/1070298388.db2.gz VKQZHCSCDCKSSW-HYARGMPZSA-N 0 0 509.787 6.123 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408946205 1070302158 /nfs/dbraw/zinc/30/21/58/1070302158.db2.gz YMGVAYGOUZHING-ZVHZXABRSA-N 0 0 519.439 6.850 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000408946901 1070310164 /nfs/dbraw/zinc/31/01/64/1070310164.db2.gz MZHVNDLYUUAPEM-UHAPOFRNSA-N 0 0 728.656 6.593 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408947683 1070311890 /nfs/dbraw/zinc/31/18/90/1070311890.db2.gz QTPOIEMOTIONDO-SXYIDQFDSA-N 0 0 576.118 5.095 40 10 KKCBRN Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000408954042 1070316590 /nfs/dbraw/zinc/31/65/90/1070316590.db2.gz RDEDMGPDOJJXCN-RWPZCVJISA-N 0 0 520.633 5.623 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1C ZINC000408961645 1070327670 /nfs/dbraw/zinc/32/76/70/1070327670.db2.gz UIUVJAFTYMHBRP-UCQKPKSFSA-N 0 0 508.043 6.293 40 10 KKCBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000408979550 1070343956 /nfs/dbraw/zinc/34/39/56/1070343956.db2.gz RMRLAHSITAEWRF-ATCUAFMPSA-N 0 0 680.830 6.966 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408982778 1070341832 /nfs/dbraw/zinc/34/18/32/1070341832.db2.gz FGVCCAAAJYBEFF-PKYOQBLNSA-N 0 0 606.144 5.267 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1Br ZINC000408983373 1070343073 /nfs/dbraw/zinc/34/30/73/1070343073.db2.gz BJLSKVUCPNLRKA-CPNJWEJPSA-N 0 0 538.825 6.759 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1Br ZINC000408985762 1070346247 /nfs/dbraw/zinc/34/62/47/1070346247.db2.gz NDKAYYIAGIHAAV-XSFVSMFZSA-N 0 0 505.368 6.536 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(I)c(C)c3)C2=O)cc1 ZINC000408986628 1070348259 /nfs/dbraw/zinc/34/82/59/1070348259.db2.gz RQVOFMBAGKXIOE-HMMYKYKNSA-N 0 0 541.816 7.123 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N=C(SCC(=O)Nc2ccccc2C(C)C)N1 ZINC000408987664 1070350532 /nfs/dbraw/zinc/35/05/32/1070350532.db2.gz GFFQUHRYBTZSEU-LJAQVGFWSA-N 0 0 541.721 6.161 40 10 KKCBRN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4cc(OC)ccc4OC)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000408989717 1070354543 /nfs/dbraw/zinc/35/45/43/1070354543.db2.gz LRNWOABTVNPZPU-UHFFFAOYSA-N 0 0 640.714 6.057 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408995194 1070363057 /nfs/dbraw/zinc/36/30/57/1070363057.db2.gz ASILUSUNSRGCEX-LGUFXXKBSA-N 0 0 540.645 5.950 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408995202 1070363235 /nfs/dbraw/zinc/36/32/35/1070363235.db2.gz LEBTZTVUNGEPFB-IEIVDPGYSA-N 0 0 617.727 5.130 40 10 KKCBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000409001225 1070376472 /nfs/dbraw/zinc/37/64/72/1070376472.db2.gz VOGZDXLLYYJZBP-BXTSTYNKSA-N 0 0 504.677 6.117 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409004500 1070379782 /nfs/dbraw/zinc/37/97/82/1070379782.db2.gz AHUUFXJSLGOYNI-UHFFFAOYSA-N 0 0 530.411 6.984 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409007092 1070383408 /nfs/dbraw/zinc/38/34/08/1070383408.db2.gz MVROQAUYSRNOOL-UHFFFAOYSA-N 0 0 575.621 5.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409007311 1070383652 /nfs/dbraw/zinc/38/36/52/1070383652.db2.gz PFJAJDSVHKSECN-WQRHYEAKSA-N 0 0 512.878 6.301 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409007453 1070383819 /nfs/dbraw/zinc/38/38/19/1070383819.db2.gz OVPWFTOUWWOXLE-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012711 1070390532 /nfs/dbraw/zinc/39/05/32/1070390532.db2.gz RKUGRGSVMBCQQE-UDWIEESQSA-N 0 0 577.331 6.727 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409018729 1070393395 /nfs/dbraw/zinc/39/33/95/1070393395.db2.gz YTMBGHWAKVVDQV-LDADJPATSA-N 0 0 505.810 6.470 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409019304 1070393414 /nfs/dbraw/zinc/39/34/14/1070393414.db2.gz IONILGRNMDYFHP-YZSQISJMSA-N 0 0 593.547 5.550 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409019007 1070393435 /nfs/dbraw/zinc/39/34/35/1070393435.db2.gz ZZZRZKUUMRCGBH-RDRPBHBLSA-N 0 0 621.086 6.340 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409013999 1070393771 /nfs/dbraw/zinc/39/37/71/1070393771.db2.gz OJXPTPAZOBSPKS-OYKKKHCWSA-N 0 0 505.412 6.042 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cccn2-c2ccc(I)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409015572 1070395047 /nfs/dbraw/zinc/39/50/47/1070395047.db2.gz CGYUHRIAURYPLS-LTGZKZEYSA-N 0 0 541.414 5.036 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023389 1070400704 /nfs/dbraw/zinc/40/07/04/1070400704.db2.gz LUYPKZAHGAECJV-UPWSPCOFSA-N 0 0 620.569 5.285 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)sc2=N1 ZINC000409021876 1070398366 /nfs/dbraw/zinc/39/83/66/1070398366.db2.gz CYFXFJLESFKDLL-OBDCIHEFSA-N 0 0 648.623 6.066 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1 ZINC000409022020 1070399176 /nfs/dbraw/zinc/39/91/76/1070399176.db2.gz CDVVSTXTWBRZCD-UNDLXJOSSA-N 0 0 569.727 5.301 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409019159 1070402244 /nfs/dbraw/zinc/40/22/44/1070402244.db2.gz YUILISSYPOJFAZ-GOQPZEPVSA-N 0 0 619.812 6.373 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409029401 1070406821 /nfs/dbraw/zinc/40/68/21/1070406821.db2.gz ALWFTNQNFZYKGN-LHHJGKSTSA-N 0 0 683.198 7.687 40 10 KKCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000409024572 1070408206 /nfs/dbraw/zinc/40/82/06/1070408206.db2.gz DYELAUUHAGVBJB-IDUWFGFVSA-N 0 0 500.201 5.441 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000409031032 1070414573 /nfs/dbraw/zinc/41/45/73/1070414573.db2.gz GIOMYNKSJAQYPJ-AWNIVKPZSA-N 0 0 697.623 7.788 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032103 1070418277 /nfs/dbraw/zinc/41/82/77/1070418277.db2.gz IWFQAOGUQJXDJT-BDYBYDPESA-N 0 0 782.743 6.481 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409037940 1070426791 /nfs/dbraw/zinc/42/67/91/1070426791.db2.gz UWXDLXTXTWEAIA-CHHVJCJISA-N 0 0 572.273 6.982 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1Cl ZINC000409038202 1070427497 /nfs/dbraw/zinc/42/74/97/1070427497.db2.gz ZUONSXXKGVILJL-OQLLNIDSSA-N 0 0 522.857 6.429 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409039654 1070431362 /nfs/dbraw/zinc/43/13/62/1070431362.db2.gz HGAPQPSZNQXXTN-YVLHZVERSA-N 0 0 537.282 6.530 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1cccc(Cl)c1 ZINC000409034425 1070432144 /nfs/dbraw/zinc/43/21/44/1070432144.db2.gz HMTPVXCFUVJJFZ-SXGWCWSVSA-N 0 0 522.857 6.429 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409035611 1070434865 /nfs/dbraw/zinc/43/48/65/1070434865.db2.gz QIDQYFDLIWVREQ-GRSHGNNSSA-N 0 0 510.450 6.033 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035934 1070435486 /nfs/dbraw/zinc/43/54/86/1070435486.db2.gz KPJOZDKXNYDBJX-JLHDDXNDSA-N 0 0 585.726 5.002 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409036407 1070436998 /nfs/dbraw/zinc/43/69/98/1070436998.db2.gz RGMZCHHVRNKILN-NHDPSOOVSA-N 0 0 506.487 6.284 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccccc1 ZINC000409037304 1070439817 /nfs/dbraw/zinc/43/98/17/1070439817.db2.gz MVELGVYPDOUZCE-OVCLIPMQSA-N 0 0 614.308 6.380 40 10 KKCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409047836 1070460148 /nfs/dbraw/zinc/46/01/48/1070460148.db2.gz PSRYUROTOBOTRP-LGJNPRDNSA-N 0 0 518.679 6.161 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409051639 1070466674 /nfs/dbraw/zinc/46/66/74/1070466674.db2.gz BUILTEUVZPGRJX-OYKKKHCWSA-N 0 0 619.521 7.118 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409060446 1070473676 /nfs/dbraw/zinc/47/36/76/1070473676.db2.gz VEYVITLLIWPNMX-MTJSOVHGSA-N 0 0 541.431 6.295 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409061427 1070476936 /nfs/dbraw/zinc/47/69/36/1070476936.db2.gz XAUUIQLIKKGBPJ-OYKKKHCWSA-N 0 0 505.014 6.250 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409081807 1070505571 /nfs/dbraw/zinc/50/55/71/1070505571.db2.gz LCAQTXMTQQFMJI-XHPQRKPJSA-N 0 0 509.403 6.863 40 10 KKCBRN O=C1/C(=C\c2c(OCc3cccc4ccccc43)ccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409083748 1070508944 /nfs/dbraw/zinc/50/89/44/1070508944.db2.gz UJNUGDQWERSAIL-BCJTWVECSA-N 0 0 530.627 8.407 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409090500 1070525043 /nfs/dbraw/zinc/52/50/43/1070525043.db2.gz PSXZTBIOPNQLSV-DSDJNCIMSA-N 0 0 534.497 5.725 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104609 1070529101 /nfs/dbraw/zinc/52/91/01/1070529101.db2.gz GAISPSOBUGFLAG-GARKAJJMSA-N 0 0 594.781 5.174 40 10 KKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409096781 1070529650 /nfs/dbraw/zinc/52/96/50/1070529650.db2.gz DYSKPWGCHZJRCR-BUVRLJJBSA-N 0 0 522.623 6.281 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Br)ccc4Br)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409112521 1070538469 /nfs/dbraw/zinc/53/84/69/1070538469.db2.gz DMPKLIPEKVQKCR-KMBIYUNPSA-N 0 0 671.411 5.649 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108624 1070542832 /nfs/dbraw/zinc/54/28/32/1070542832.db2.gz XSMAYAWXLLMSLQ-YWNFARGVSA-N 0 0 630.814 6.187 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409106701 1070541062 /nfs/dbraw/zinc/54/10/62/1070541062.db2.gz SSTQTAUXURWRPV-LPYMAVHISA-N 0 0 522.579 5.036 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c1 ZINC000409107365 1070541655 /nfs/dbraw/zinc/54/16/55/1070541655.db2.gz PANKRSLCSJJRGJ-WKULSOCRSA-N 0 0 632.569 8.794 40 10 KKCBRN COc1cc(Cl)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1O ZINC000409107690 1070542152 /nfs/dbraw/zinc/54/21/52/1070542152.db2.gz TXLXQPXCTTZGRO-RGVLZGJSSA-N 0 0 514.987 5.851 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1Cc1cccnc1 ZINC000409125022 1070552656 /nfs/dbraw/zinc/55/26/56/1070552656.db2.gz MCUZDQDROKBLJQ-ROTLSHHCSA-N 0 0 515.616 5.245 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000409127727 1070554792 /nfs/dbraw/zinc/55/47/92/1070554792.db2.gz JNUTWRYTVMEJFW-PMIGXTIBSA-N 0 0 557.535 6.171 40 10 KKCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 ZINC000409127695 1070554813 /nfs/dbraw/zinc/55/48/13/1070554813.db2.gz QXLJSROKYODZCZ-FBHDLOMBSA-N 0 0 545.480 5.377 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409133282 1070558465 /nfs/dbraw/zinc/55/84/65/1070558465.db2.gz RXCCQQYQIPQZHT-NLIBPXKJSA-N 0 0 547.927 6.486 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c(Br)c4)c3C)N(CC(=O)OC)C2=S)cc1 ZINC000409134956 1070559636 /nfs/dbraw/zinc/55/96/36/1070559636.db2.gz OVRWJDCTRNAFEF-QRQIAZFYSA-N 0 0 653.599 5.240 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409135995 1070560785 /nfs/dbraw/zinc/56/07/85/1070560785.db2.gz XGMKDTBUTHIUND-MTJSOVHGSA-N 0 0 515.860 7.368 40 10 KKCBRN Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21 ZINC000409148995 1070567417 /nfs/dbraw/zinc/56/74/17/1070567417.db2.gz VOQBNAQMCHARSA-MXAYSNPKSA-N 0 0 564.530 6.588 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149709 1070567857 /nfs/dbraw/zinc/56/78/57/1070567857.db2.gz OGPGFKBBVTUUTL-AWQFTUOYSA-N 0 0 533.502 6.702 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Cl ZINC000409156905 1070579291 /nfs/dbraw/zinc/57/92/91/1070579291.db2.gz SZPCBGMRAVJAQC-XODNFHPESA-N 0 0 691.033 7.924 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409157180 1070579864 /nfs/dbraw/zinc/57/98/64/1070579864.db2.gz UXNDKPSNAQZUOS-SRGWNRLKSA-N 0 0 567.257 8.448 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409162434 1070581582 /nfs/dbraw/zinc/58/15/82/1070581582.db2.gz DXLUSUAVIJQGHL-OJLQRUNKSA-N 0 0 565.722 8.823 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@H]21 ZINC000409166610 1070584710 /nfs/dbraw/zinc/58/47/10/1070584710.db2.gz FLINIEJIASEWGC-XHNVNVPESA-N 0 0 537.410 6.780 40 10 KKCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 ZINC000409176320 1070590948 /nfs/dbraw/zinc/59/09/48/1070590948.db2.gz KJDZVHOTSPVLRC-FMCGGJTJSA-N 0 0 528.461 6.638 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181764 1070599575 /nfs/dbraw/zinc/59/95/75/1070599575.db2.gz DLEQPXNTQGLITB-JAIQZWGSSA-N 0 0 581.024 5.569 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409181087 1070598681 /nfs/dbraw/zinc/59/86/81/1070598681.db2.gz VULMUNKEWUASPN-JJFYIABZSA-N 0 0 564.885 7.235 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186234 1070606389 /nfs/dbraw/zinc/60/63/89/1070606389.db2.gz ZFFJOANPSFIMBG-OQYXOYRJSA-N 0 0 688.762 7.257 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409196913 1070617136 /nfs/dbraw/zinc/61/71/36/1070617136.db2.gz RZHLDLAGEOENNW-AWQFTUOYSA-N 0 0 647.241 8.053 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409198133 1070619346 /nfs/dbraw/zinc/61/93/46/1070619346.db2.gz XXFRDLBUBSOGOT-UFFVCSGVSA-N 0 0 579.303 6.838 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000409207571 1070623103 /nfs/dbraw/zinc/62/31/03/1070623103.db2.gz WUGMWKMJMDQOQB-CIAFOILYSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1 ZINC000409205773 1070632490 /nfs/dbraw/zinc/63/24/90/1070632490.db2.gz FOPAAVZUVWRRRS-OGLMXYFKSA-N 0 0 506.652 7.257 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409219118 1070641587 /nfs/dbraw/zinc/64/15/87/1070641587.db2.gz NJKCFKBXNPYQPG-VULFUBBASA-N 0 0 568.070 6.579 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409228429 1070646309 /nfs/dbraw/zinc/64/63/09/1070646309.db2.gz ACCPBTAIJHKSLO-BKUYFWCQSA-N 0 0 573.465 6.020 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)SC1=S ZINC000409240097 1070655612 /nfs/dbraw/zinc/65/56/12/1070655612.db2.gz JPQUSDSINHHYJW-XMSCMFJESA-N 0 0 553.503 6.429 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409231642 1070656657 /nfs/dbraw/zinc/65/66/57/1070656657.db2.gz DRDAODJSUSNBDO-CFRMEGHHSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409231367 1070656820 /nfs/dbraw/zinc/65/68/20/1070656820.db2.gz CLCWTKQLJAULHJ-HAHDFKILSA-N 0 0 573.523 6.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409241182 1070668589 /nfs/dbraw/zinc/66/85/89/1070668589.db2.gz RWBMXBVXWLFGKK-JLPGSUDCSA-N 0 0 568.120 6.228 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c(C)c1 ZINC000409241149 1070668615 /nfs/dbraw/zinc/66/86/15/1070668615.db2.gz ROTNHBLVJOQQHN-YDZHTSKRSA-N 0 0 538.025 5.518 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409244423 1070672058 /nfs/dbraw/zinc/67/20/58/1070672058.db2.gz CLPUENANZMNISC-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409242039 1070669938 /nfs/dbraw/zinc/66/99/38/1070669938.db2.gz UBHUXZOTQOTBEC-YMKHCOABSA-N 0 0 587.550 7.372 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000409242800 1070670598 /nfs/dbraw/zinc/67/05/98/1070670598.db2.gz PCDXRFRMTXTMTC-MTJSOVHGSA-N 0 0 557.491 6.078 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409248461 1070664748 /nfs/dbraw/zinc/66/47/48/1070664748.db2.gz DJAJQTVZGUAKCU-UHFFFAOYSA-N 0 0 624.093 6.956 40 10 KKCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000409249373 1070665603 /nfs/dbraw/zinc/66/56/03/1070665603.db2.gz HNSWDNCRBBRSQK-XYGWBWBKSA-N 0 0 518.660 5.989 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)cc3)SC2=S)cc1Cl ZINC000409255705 1070674743 /nfs/dbraw/zinc/67/47/43/1070674743.db2.gz MTHFHJOYWWCANR-QRVIBDJDSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409253329 1070686076 /nfs/dbraw/zinc/68/60/76/1070686076.db2.gz TZHCOWXYYBJYGH-OYKKKHCWSA-N 0 0 573.523 6.463 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409253700 1070686713 /nfs/dbraw/zinc/68/67/13/1070686713.db2.gz GIWWRKAYHTYFCT-OLRBPVQESA-N 0 0 547.098 5.445 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000409266427 1070690227 /nfs/dbraw/zinc/69/02/27/1070690227.db2.gz WRRWPPVXMZVDLV-UCQKPKSFSA-N 0 0 543.497 6.455 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409264905 1070688256 /nfs/dbraw/zinc/68/82/56/1070688256.db2.gz GZDQWFWBXSKOTL-ZDLGFXPLSA-N 0 0 511.452 5.629 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409265476 1070689097 /nfs/dbraw/zinc/68/90/97/1070689097.db2.gz SUAQLRPUFZNBFR-UUYOSTAYSA-N 0 0 543.497 7.034 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409268771 1070694323 /nfs/dbraw/zinc/69/43/23/1070694323.db2.gz AFAVJABLONPIIV-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409260498 1070695540 /nfs/dbraw/zinc/69/55/40/1070695540.db2.gz RAGDUMKIKUXMIN-HAHDFKILSA-N 0 0 528.696 5.266 40 10 KKCBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2OC)cc1 ZINC000409261054 1070697095 /nfs/dbraw/zinc/69/70/95/1070697095.db2.gz AMXUSGWAXYNBFW-IWIPYMOSSA-N 0 0 520.632 5.436 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409262115 1070698605 /nfs/dbraw/zinc/69/86/05/1070698605.db2.gz CSXAYMQYKZDSTL-NAGKPISUSA-N 0 0 523.463 5.391 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409262629 1070699088 /nfs/dbraw/zinc/69/90/88/1070699088.db2.gz JEOJGOFYFWUVGS-JMIUGGIZSA-N 0 0 525.479 6.019 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)c(C)c1 ZINC000409262581 1070699093 /nfs/dbraw/zinc/69/90/93/1070699093.db2.gz IAFJGJGEQMXNAZ-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409262660 1070699248 /nfs/dbraw/zinc/69/92/48/1070699248.db2.gz IMHCOPCHWOVZOQ-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409263231 1070700174 /nfs/dbraw/zinc/70/01/74/1070700174.db2.gz BGBNDEHSSFUKKA-ZPZBNPFISA-N 0 0 526.680 5.100 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2Cl)cc1 ZINC000409271531 1070708231 /nfs/dbraw/zinc/70/82/31/1070708231.db2.gz MFKVDGWSYLREAB-IWIPYMOSSA-N 0 0 523.079 6.634 40 10 KKCBRN O=C1C(=Cc2ccc(Cc3cccc(F)c3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408879803 1070791437 /nfs/dbraw/zinc/79/14/37/1070791437.db2.gz GTTSJJWTYPBLJC-UHFFFAOYSA-N 0 0 510.952 6.653 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408880607 1070787555 /nfs/dbraw/zinc/78/75/55/1070787555.db2.gz FZHWFUHFZNPFPY-UHFFFAOYSA-N 0 0 587.857 7.265 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408879004 1070797552 /nfs/dbraw/zinc/79/75/52/1070797552.db2.gz DRGOOWGCJUUGTD-UHFFFAOYSA-N 0 0 694.978 7.671 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408878093 1070802582 /nfs/dbraw/zinc/80/25/82/1070802582.db2.gz WKPBFGBFJBYTTG-QQXSKIMKSA-N 0 0 549.465 5.781 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F ZINC000408877563 1070808194 /nfs/dbraw/zinc/80/81/94/1070808194.db2.gz VTWAFISZCSXUJX-UHFFFAOYSA-N 0 0 522.601 6.173 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409328391 1070829493 /nfs/dbraw/zinc/82/94/93/1070829493.db2.gz UERPLNCCWIPGST-SSDVNMTOSA-N 0 0 555.615 6.432 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1 ZINC000409328554 1070829783 /nfs/dbraw/zinc/82/97/83/1070829783.db2.gz XMAGQWBLPOXAFR-LPYMAVHISA-N 0 0 623.363 7.734 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC ZINC000409333280 1070838134 /nfs/dbraw/zinc/83/81/34/1070838134.db2.gz RQKJWQWUMIXZOH-GZTJUZNOSA-N 0 0 590.302 6.257 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409328434 1070829922 /nfs/dbraw/zinc/82/99/22/1070829922.db2.gz VFQHYVUDXQFOCH-UUYOSTAYSA-N 0 0 663.471 6.491 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409328653 1070830021 /nfs/dbraw/zinc/83/00/21/1070830021.db2.gz ZLUZUVZIZDOOGX-ROTLSHHCSA-N 0 0 645.616 7.015 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409329333 1070831211 /nfs/dbraw/zinc/83/12/11/1070831211.db2.gz DVCBVVFOZWDFNY-BUVRLJJBSA-N 0 0 508.590 7.423 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409329859 1070832900 /nfs/dbraw/zinc/83/29/00/1070832900.db2.gz HTAZIKAWHOSDOO-QFEZKATASA-N 0 0 597.556 6.806 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1O ZINC000409330089 1070832959 /nfs/dbraw/zinc/83/29/59/1070832959.db2.gz JMVHFWZQMSVJIF-NVNXTCNLSA-N 0 0 504.349 5.978 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(Cl)c3)c(OC)c2)SC1=S ZINC000409329752 1070833052 /nfs/dbraw/zinc/83/30/52/1070833052.db2.gz IANCHCAPUDKRAA-NVMNQCDNSA-N 0 0 541.876 5.350 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409331174 1070835019 /nfs/dbraw/zinc/83/50/19/1070835019.db2.gz MIVDVTLWMNGLHD-WSDLNYQXSA-N 0 0 576.534 7.304 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)cc1 ZINC000409333765 1070838763 /nfs/dbraw/zinc/83/87/63/1070838763.db2.gz VQNAJHKGYLYABH-ZVHZXABRSA-N 0 0 501.608 6.133 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409331838 1070836034 /nfs/dbraw/zinc/83/60/34/1070836034.db2.gz ONERZZSMEKKQND-PCLIKHOPSA-N 0 0 552.121 6.311 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1Cl ZINC000409332652 1070836665 /nfs/dbraw/zinc/83/66/65/1070836665.db2.gz QTBWUUBLNUSGCR-LSFURLLWSA-N 0 0 615.785 8.403 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409334181 1070839574 /nfs/dbraw/zinc/83/95/74/1070839574.db2.gz VVYJKINGGNBGLZ-LSHDLFTRSA-N 0 0 659.889 8.626 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409340119 1070845765 /nfs/dbraw/zinc/84/57/65/1070845765.db2.gz QRFMVMQRXFNRBK-BKUYFWCQSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409340176 1070846002 /nfs/dbraw/zinc/84/60/02/1070846002.db2.gz RRWGGDJCKSEPBY-LSFURLLWSA-N 0 0 670.788 7.767 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409335240 1070855014 /nfs/dbraw/zinc/85/50/14/1070855014.db2.gz ZQGHKKPUXHJCNX-JAIQZWGSSA-N 0 0 513.984 5.671 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409342460 1070850095 /nfs/dbraw/zinc/85/00/95/1070850095.db2.gz DIQZZKJPIITBAK-ZVBGSRNCSA-N 0 0 585.759 8.394 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409342593 1070850252 /nfs/dbraw/zinc/85/02/52/1070850252.db2.gz DXESBXNGQACTEY-NVNXTCNLSA-N 0 0 593.249 5.619 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409344457 1070852571 /nfs/dbraw/zinc/85/25/71/1070852571.db2.gz JRFJHKKNVDWTGE-MTJSOVHGSA-N 0 0 577.440 6.424 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccccc1F ZINC000409344410 1070852738 /nfs/dbraw/zinc/85/27/38/1070852738.db2.gz JDKKAFONCUDRIY-JMIUGGIZSA-N 0 0 599.381 7.713 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC ZINC000409344320 1070852948 /nfs/dbraw/zinc/85/29/48/1070852948.db2.gz ISSOXBJFKKKNHG-YVLHZVERSA-N 0 0 556.403 5.403 40 10 KKCBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409348378 1070865557 /nfs/dbraw/zinc/86/55/57/1070865557.db2.gz SGBBIBURNQNPHM-MTJSOVHGSA-N 0 0 516.869 7.087 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409348606 1070865944 /nfs/dbraw/zinc/86/59/44/1070865944.db2.gz NSCDLPHCPJALBG-MTJSOVHGSA-N 0 0 581.340 7.749 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409349025 1070866126 /nfs/dbraw/zinc/86/61/26/1070866126.db2.gz UOHDVKPVNRSNAM-WSDLNYQXSA-N 0 0 623.534 7.146 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409354689 1070874368 /nfs/dbraw/zinc/87/43/68/1070874368.db2.gz AHRQOTWRKGQJOO-OYKKKHCWSA-N 0 0 518.063 6.198 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408891967 1070874790 /nfs/dbraw/zinc/87/47/90/1070874790.db2.gz WNDDKXKCCDJLTG-UHFFFAOYSA-N 0 0 599.506 6.785 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409345347 1070876699 /nfs/dbraw/zinc/87/66/99/1070876699.db2.gz LOVPMQKFRCUSKW-YDZHTSKRSA-N 0 0 524.645 6.310 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409345642 1070877266 /nfs/dbraw/zinc/87/72/66/1070877266.db2.gz JUAVJDVGCLZFOB-BUVRLJJBSA-N 0 0 565.629 5.127 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408891407 1070878875 /nfs/dbraw/zinc/87/88/75/1070878875.db2.gz QEQDHWSJVLBJNL-UHFFFAOYSA-N 0 0 617.079 6.398 40 10 KKCBRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)C(C)C)cc1 ZINC000409364864 1070881519 /nfs/dbraw/zinc/88/15/19/1070881519.db2.gz NKGFHKKOATWAIS-XKHIVHIHSA-N 0 0 541.681 6.397 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408890112 1070885690 /nfs/dbraw/zinc/88/56/90/1070885690.db2.gz OAAODDVRSIXARA-UHFFFAOYSA-N 0 0 562.691 7.029 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409368331 1070891490 /nfs/dbraw/zinc/89/14/90/1070891490.db2.gz YLMFICRHSPJHHH-AWQFTUOYSA-N 0 0 782.250 7.720 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409370687 1070893729 /nfs/dbraw/zinc/89/37/29/1070893729.db2.gz CGFUIUNLDXSKRO-IFRROFPPSA-N 0 0 757.140 9.342 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)SC1=S ZINC000409384649 1070901733 /nfs/dbraw/zinc/90/17/33/1070901733.db2.gz DTOQGJIWHUCXFY-NDENLUEZSA-N 0 0 518.885 7.056 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408903499 1070903914 /nfs/dbraw/zinc/90/39/14/1070903914.db2.gz YSPQSRPTNZYAQX-WSDLNYQXSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408903199 1070905482 /nfs/dbraw/zinc/90/54/82/1070905482.db2.gz VNBZGICJWACJJH-CIAFOILYSA-N 0 0 522.355 5.751 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C2=O)o1 ZINC000409387205 1070909038 /nfs/dbraw/zinc/90/90/38/1070909038.db2.gz URYVEJFOGGQORM-JFLMPSFJSA-N 0 0 560.603 6.428 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902436 1070911401 /nfs/dbraw/zinc/91/14/01/1070911401.db2.gz NQBCHVDGWOEYJF-HZHRSRAPSA-N 0 0 630.529 6.422 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408902306 1070912458 /nfs/dbraw/zinc/91/24/58/1070912458.db2.gz MXAQTJHCVVAWGW-FYJGNVAPSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902200 1070913837 /nfs/dbraw/zinc/91/38/37/1070913837.db2.gz LSUYFVNEDGYXCH-WSDLNYQXSA-N 0 0 557.447 6.351 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000408901960 1070914652 /nfs/dbraw/zinc/91/46/52/1070914652.db2.gz JIRWMUSXEDFQRQ-UDWIEESQSA-N 0 0 598.314 7.583 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408902053 1070915457 /nfs/dbraw/zinc/91/54/57/1070915457.db2.gz KCRQCCLBAFDOCZ-LPYMAVHISA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408901882 1070915993 /nfs/dbraw/zinc/91/59/93/1070915993.db2.gz IIPRMSIPQHAWOV-KGENOOAVSA-N 0 0 555.475 5.881 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408901929 1070916801 /nfs/dbraw/zinc/91/68/01/1070916801.db2.gz IZWWRFBMVSUDGY-JAIQZWGSSA-N 0 0 635.417 6.314 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408901459 1070921201 /nfs/dbraw/zinc/92/12/01/1070921201.db2.gz FJMRWNDOXUAZHW-FYJGNVAPSA-N 0 0 574.421 6.184 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(I)cc2)SC(=S)N1c1ccccc1 ZINC000408901225 1070921967 /nfs/dbraw/zinc/92/19/67/1070921967.db2.gz CFZYXMQWPNURPH-KGENOOAVSA-N 0 0 529.424 6.276 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408901329 1070923576 /nfs/dbraw/zinc/92/35/76/1070923576.db2.gz DGFYELHUSFQPBT-GIJQJNRQSA-N 0 0 550.667 7.794 40 10 KKCBRN O=C1/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000408901325 1070923777 /nfs/dbraw/zinc/92/37/77/1070923777.db2.gz DEGYKBJDJGHUJA-ANYBSYGZSA-N 0 0 593.571 8.980 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408901188 1070925935 /nfs/dbraw/zinc/92/59/35/1070925935.db2.gz BTIHIIAMAJJHNS-JVWAILMASA-N 0 0 576.537 7.986 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408901217 1070926016 /nfs/dbraw/zinc/92/60/16/1070926016.db2.gz CDKUNSMGDRLIJX-FYJGNVAPSA-N 0 0 527.421 6.342 40 10 KKCBRN O=C1C(=Cc2ccccc2OCc2ccccc2Br)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408900189 1070938882 /nfs/dbraw/zinc/93/88/82/1070938882.db2.gz TYUALGNSAQBEQC-UHFFFAOYSA-N 0 0 569.480 6.776 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408908417 1070984079 /nfs/dbraw/zinc/98/40/79/1070984079.db2.gz DVRLDRIWOSUVCT-JESJEVRBSA-N 0 0 672.634 7.049 40 10 KKCBRN Cc1ccc(Sc2oc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408912419 1071024683 /nfs/dbraw/zinc/02/46/83/1071024683.db2.gz QRNKECJVKFBSJA-UHFFFAOYSA-N 0 0 559.441 7.085 40 10 KKCBRN CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286728 1071040391 /nfs/dbraw/zinc/04/03/91/1071040391.db2.gz UKCDRVWHWQKFAE-MGBGTMOVSA-N 0 0 600.200 5.127 40 10 KKCBRN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C)cc1 ZINC000408925398 1071077704 /nfs/dbraw/zinc/07/77/04/1071077704.db2.gz KAAKUVNABHGLDH-GONGWJOBSA-N 0 0 572.734 5.898 40 10 KKCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000408929003 1071175918 /nfs/dbraw/zinc/17/59/18/1071175918.db2.gz OGCCREOTYYWMRS-AFUMVMLFSA-N 0 0 531.634 5.481 40 10 KKCBRN CCCCN(CCCC)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(Cl)cc4)NN32)cc1 ZINC000588226339 1071181996 /nfs/dbraw/zinc/18/19/96/1071181996.db2.gz SUCHYPQXFLIREL-GDLZYMKVSA-N 0 0 560.167 5.823 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408936933 1071206683 /nfs/dbraw/zinc/20/66/83/1071206683.db2.gz LJFYFDJMENWHMV-ZVHZXABRSA-N 0 0 594.449 6.328 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408936632 1071209791 /nfs/dbraw/zinc/20/97/91/1071209791.db2.gz HBKOQHKCXDWVCI-HYARGMPZSA-N 0 0 554.238 6.233 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208707057 1071213733 /nfs/dbraw/zinc/21/37/33/1071213733.db2.gz WQICHIMEKNGZHI-NHDPSOOVSA-N 0 0 587.388 7.877 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000208702166 1071213744 /nfs/dbraw/zinc/21/37/44/1071213744.db2.gz JFGLCLOZFBACKP-NHDPSOOVSA-N 0 0 547.441 6.895 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000208702085 1071212971 /nfs/dbraw/zinc/21/29/71/1071212971.db2.gz RLISBCYUYOPMQG-UCQKPKSFSA-N 0 0 516.471 7.377 40 10 KKCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408934351 1071236771 /nfs/dbraw/zinc/23/67/71/1071236771.db2.gz AHBJSDWSMXXNNC-RGVLZGJSSA-N 0 0 544.232 6.777 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408938756 1071327535 /nfs/dbraw/zinc/32/75/35/1071327535.db2.gz SEVPGXIKAIIFDO-FBHDLOMBSA-N 0 0 519.226 6.256 40 10 KKCBRN COc1ccc(-n2cccc2/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408951635 1071349570 /nfs/dbraw/zinc/34/95/70/1071349570.db2.gz JJQYODAMBFSBBM-DIBXZPPDSA-N 0 0 507.615 5.851 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(OCc6ccccc6)cc5)c4C)c(=O)n32)cc1OCC ZINC000408948847 1071362689 /nfs/dbraw/zinc/36/26/89/1071362689.db2.gz ROYXBVBFNDGEQI-PNJLSFFLSA-N 0 0 663.796 5.802 40 10 KKCBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n21 ZINC000408954887 1071388159 /nfs/dbraw/zinc/38/81/59/1071388159.db2.gz PPVJDQNKSKKQMG-UWRMONIRSA-N 0 0 673.004 6.158 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972693 1071449136 /nfs/dbraw/zinc/44/91/36/1071449136.db2.gz UUUCBGKARBFDDJ-ZHZULCJRSA-N 0 0 501.302 6.377 40 10 KKCBRN CN1C(=O)C(=Cc2cc(Cl)c(OCCOc3ccc(C4CCCCC4)cc3)c(Cl)c2)C(=O)N(C)C1=O ZINC000408971304 1071452410 /nfs/dbraw/zinc/45/24/10/1071452410.db2.gz FUFJOPVVEBGPRE-UHFFFAOYSA-N 0 0 531.436 5.933 40 10 KKCBRN O=C1/C(=C\c2cc(Br)cc(I)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971422 1071452516 /nfs/dbraw/zinc/45/25/16/1071452516.db2.gz OICAEMDVAMLNGI-GHXNOFRVSA-N 0 0 537.073 5.108 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971297 1071453069 /nfs/dbraw/zinc/45/30/69/1071453069.db2.gz IGJLNAKWMMOUEK-STZFKDTASA-N 0 0 501.302 6.377 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408970160 1071455862 /nfs/dbraw/zinc/45/58/62/1071455862.db2.gz BTHSLHYFKJBLSB-WQRHYEAKSA-N 0 0 521.322 6.930 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000408970037 1071456508 /nfs/dbraw/zinc/45/65/08/1071456508.db2.gz ZBYSDKCCYBONMK-UHFFFAOYSA-N 0 0 541.044 5.678 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408969482 1071458830 /nfs/dbraw/zinc/45/88/30/1071458830.db2.gz OJUKEFOBFSOHDM-ODLFYWEKSA-N 0 0 565.773 7.039 40 10 KKCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c2C)c1 ZINC000408967762 1071465805 /nfs/dbraw/zinc/46/58/05/1071465805.db2.gz UPSSLWLUFSXBLZ-UCQKPKSFSA-N 0 0 582.476 5.708 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408978978 1071481057 /nfs/dbraw/zinc/48/10/57/1071481057.db2.gz BGYURSQYIXGGAK-GSASKQFNSA-N 0 0 587.745 5.960 40 10 KKCBRN CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1 ZINC000408986683 1071487940 /nfs/dbraw/zinc/48/79/40/1071487940.db2.gz SLJMJVMPKXTNSE-LMTFXULLSA-N 0 0 503.598 7.718 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408985958 1071495499 /nfs/dbraw/zinc/49/54/99/1071495499.db2.gz OFUWCZCYOGFRJV-XMHGGMMESA-N 0 0 525.240 7.082 40 10 KKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3)C2=O)cc1Br ZINC000408985546 1071499297 /nfs/dbraw/zinc/49/92/97/1071499297.db2.gz MTFPIQFLQZAZIX-KGENOOAVSA-N 0 0 504.380 6.106 40 10 KKCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)c(C(=O)OC)c4)C3=O)o2)cc1 ZINC000408985066 1071503140 /nfs/dbraw/zinc/50/31/40/1071503140.db2.gz LFAGVHIJAUFVFI-CJLVFECKSA-N 0 0 539.971 6.645 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408727203 1071510741 /nfs/dbraw/zinc/51/07/41/1071510741.db2.gz YYWJZNSJPSNYRN-UHFFFAOYSA-N 0 0 573.432 7.164 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408726846 1071510749 /nfs/dbraw/zinc/51/07/49/1071510749.db2.gz VUQXWBYYRDVFGU-TWKHWXDSSA-N 0 0 647.525 8.082 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408726176 1071512874 /nfs/dbraw/zinc/51/28/74/1071512874.db2.gz QQTPLFMZYZRHAH-UHFFFAOYSA-N 0 0 597.136 7.683 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408726541 1071516397 /nfs/dbraw/zinc/51/63/97/1071516397.db2.gz SNEWQGHEHIXJEP-UHFFFAOYSA-N 0 0 577.593 6.383 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408726119 1071517731 /nfs/dbraw/zinc/51/77/31/1071517731.db2.gz PNCUGLDBMLOOPR-UHFFFAOYSA-N 0 0 567.041 7.128 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408725989 1071518464 /nfs/dbraw/zinc/51/84/64/1071518464.db2.gz NUWQWYYHVMKDHF-NJZRLIGZSA-N 0 0 617.101 8.363 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408982758 1071523783 /nfs/dbraw/zinc/52/37/83/1071523783.db2.gz FECOAUNAPFOMJT-PEPUGYCWSA-N 0 0 658.607 6.659 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1 ZINC000408724686 1071524657 /nfs/dbraw/zinc/52/46/57/1071524657.db2.gz DLKYYBZEKFFPGL-DFKUXCBWSA-N 0 0 582.656 7.709 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408982984 1071521050 /nfs/dbraw/zinc/52/10/50/1071521050.db2.gz KGBJZXJYRBZEFC-MIUGUJGPSA-N 0 0 634.596 5.594 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408725056 1071522392 /nfs/dbraw/zinc/52/23/92/1071522392.db2.gz GLXHJSLEADWSIF-UHFFFAOYSA-N 0 0 562.691 6.948 40 10 KKCBRN O=C1C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)SC(=S)N1c1cccc(Cl)c1 ZINC000408724995 1071523037 /nfs/dbraw/zinc/52/30/37/1071523037.db2.gz CPBOJYRESPVUHP-SJZNRDSESA-N 0 0 502.020 8.020 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408724792 1071523499 /nfs/dbraw/zinc/52/34/99/1071523499.db2.gz CFZRJOPANKXDHM-XIHDXPBISA-N 0 0 697.595 5.136 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723398 1071528288 /nfs/dbraw/zinc/52/82/88/1071528288.db2.gz UATGMGMKYUOPKZ-WSDLNYQXSA-N 0 0 703.385 7.560 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc6ccccc65)c4C)c(=O)n32)c(OC)c1 ZINC000408979827 1071542192 /nfs/dbraw/zinc/54/21/92/1071542192.db2.gz SOMAGAWYCXYFQI-NPRXSWCKSA-N 0 0 654.792 6.452 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408980124 1071541018 /nfs/dbraw/zinc/54/10/18/1071541018.db2.gz DQIISRWFPXYVIM-DAIZXWHWSA-N 0 0 666.199 6.173 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408978652 1071546954 /nfs/dbraw/zinc/54/69/54/1071546954.db2.gz AEWFRKDRKHLMAI-MIUGUJGPSA-N 0 0 634.596 5.594 40 10 KKCBRN O=C(Oc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)c1ccccc1I ZINC000408727268 1071549548 /nfs/dbraw/zinc/54/95/48/1071549548.db2.gz PNLDLEUJDRIZCZ-MOSHPQCFSA-N 0 0 588.404 5.824 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735828 1071558673 /nfs/dbraw/zinc/55/86/73/1071558673.db2.gz YECOPKACPVOOMT-FKIODOFUSA-N 0 0 661.824 6.670 40 10 KKCBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734637 1071563700 /nfs/dbraw/zinc/56/37/00/1071563700.db2.gz AQPBJEPJJUEMCF-HXUWFJFHSA-N 0 0 505.622 6.202 40 10 KKCBRN Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408734716 1071564185 /nfs/dbraw/zinc/56/41/85/1071564185.db2.gz ISTZKGIOQMYXCC-UHFFFAOYSA-N 0 0 528.659 7.410 40 10 KKCBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)C1 ZINC000408734672 1071564253 /nfs/dbraw/zinc/56/42/53/1071564253.db2.gz BPHUKBGXAUENNN-FQEVSTJZSA-N 0 0 521.690 6.367 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408733242 1071572892 /nfs/dbraw/zinc/57/28/92/1071572892.db2.gz GYWCDTTWLPPOOL-FUFNRSNVSA-N 0 0 610.563 6.211 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408991465 1071579668 /nfs/dbraw/zinc/57/96/68/1071579668.db2.gz XMOCJAJVVDXFJB-FOQAXWDGSA-N 0 0 647.797 5.977 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3ccc(Sc4nc5ccccc5s4)o3)sc2=N1 ZINC000408989329 1071597816 /nfs/dbraw/zinc/59/78/16/1071597816.db2.gz HJNMYFZNPVSFCN-ZHGFHMGHSA-N 0 0 649.823 6.294 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408727933 1071597889 /nfs/dbraw/zinc/59/78/89/1071597889.db2.gz ZTYZTOKJVWTQKI-IPAKXIGBSA-N 0 0 697.595 5.136 40 10 KKCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(=O)/c(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)sc2=N1 ZINC000408989008 1071599444 /nfs/dbraw/zinc/59/94/44/1071599444.db2.gz GMMKTHVRSYNVAC-ATGSENMFSA-N 0 0 622.835 6.241 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408989051 1071599662 /nfs/dbraw/zinc/59/96/62/1071599662.db2.gz GRMLJECNGDVGOO-OREGWCPLSA-N 0 0 559.540 7.115 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408988581 1071603632 /nfs/dbraw/zinc/60/36/32/1071603632.db2.gz DVKAZBDEEORMOD-UHFFFAOYSA-N 0 0 650.782 7.308 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408988646 1071603674 /nfs/dbraw/zinc/60/36/74/1071603674.db2.gz FEUHDYOYIJTMMV-CLCZQPDDSA-N 0 0 569.546 6.571 40 10 KKCBRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 ZINC000408988641 1071603689 /nfs/dbraw/zinc/60/36/89/1071603689.db2.gz FDQZYZABABPJNQ-UHFFFAOYSA-N 0 0 740.888 8.823 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000408727448 1071600933 /nfs/dbraw/zinc/60/09/33/1071600933.db2.gz YMYPUHWNHUHAJI-BKUYFWCQSA-N 0 0 510.524 5.368 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408739632 1071602192 /nfs/dbraw/zinc/60/21/92/1071602192.db2.gz DLVHGKAJFBHCJK-PKAZHMFMSA-N 0 0 615.524 7.532 40 10 KKCBRN O=C1C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408739276 1071605027 /nfs/dbraw/zinc/60/50/27/1071605027.db2.gz ASKIQTGBYUQARZ-UHFFFAOYSA-N 0 0 601.731 8.560 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738758 1071607036 /nfs/dbraw/zinc/60/70/36/1071607036.db2.gz NVAJYQLYTJCVRF-UNDLXJOSSA-N 0 0 569.727 5.221 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738069 1071611476 /nfs/dbraw/zinc/61/14/76/1071611476.db2.gz IRPMFJYVUVABRS-DDBFQISPSA-N 0 0 585.726 5.003 40 10 KKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1 ZINC000408738108 1071612091 /nfs/dbraw/zinc/61/20/91/1071612091.db2.gz OERHBSVGAZAHKM-LTGZKZEYSA-N 0 0 502.397 8.123 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737973 1071612494 /nfs/dbraw/zinc/61/24/94/1071612494.db2.gz GYFLGVXPNMNPMR-VILXJFMTSA-N 0 0 623.819 6.652 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408987503 1071613488 /nfs/dbraw/zinc/61/34/88/1071613488.db2.gz QIMXXOHUKVRMNY-DTDQMKFYSA-N 0 0 624.162 6.005 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(I)cc1 ZINC000408737518 1071614082 /nfs/dbraw/zinc/61/40/82/1071614082.db2.gz CJUQNPGXIMCDHG-NBVRZTHBSA-N 0 0 584.240 8.329 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408996415 1071617418 /nfs/dbraw/zinc/61/74/18/1071617418.db2.gz DNGAVDCOJXTJNY-FQKMCRJQSA-N 0 0 579.644 5.533 40 10 KKCBRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c1 ZINC000408996321 1071618541 /nfs/dbraw/zinc/61/85/41/1071618541.db2.gz CZXNUXQNTKDWAM-UQQQWYQISA-N 0 0 571.054 6.752 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408742983 1071619489 /nfs/dbraw/zinc/61/94/89/1071619489.db2.gz QXPROKFYPXUUHM-LFIBNONCSA-N 0 0 509.268 6.039 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1 ZINC000408996217 1071619587 /nfs/dbraw/zinc/61/95/87/1071619587.db2.gz OWDVNOWZDHVHPV-BXTSTYNKSA-N 0 0 520.676 5.817 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408742526 1071620631 /nfs/dbraw/zinc/62/06/31/1071620631.db2.gz PNJHZZKYLZZDBW-XDHOZWIPSA-N 0 0 512.197 6.772 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409006030 1071627555 /nfs/dbraw/zinc/62/75/55/1071627555.db2.gz HCNKOGWLOVLZSX-UPWSPCOFSA-N 0 0 610.563 5.911 40 10 KKCBRN CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1I ZINC000408742122 1071622296 /nfs/dbraw/zinc/62/22/96/1071622296.db2.gz NDCYOCJEYFUARL-VIZOYTHASA-N 0 0 572.136 5.111 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408741000 1071627736 /nfs/dbraw/zinc/62/77/36/1071627736.db2.gz GHMAQXKACVCRMB-VCHYOVAHSA-N 0 0 576.668 7.434 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408742031 1071622763 /nfs/dbraw/zinc/62/27/63/1071622763.db2.gz MNDAJAOPVLYSKD-VCHYOVAHSA-N 0 0 591.093 7.534 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408742060 1071622769 /nfs/dbraw/zinc/62/27/69/1071622769.db2.gz MSJMLTXRNDKTOB-XDHOZWIPSA-N 0 0 508.324 5.926 40 10 KKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408741894 1071623306 /nfs/dbraw/zinc/62/33/06/1071623306.db2.gz LXELOZSDPFSIMM-WOJGMQOQSA-N 0 0 530.187 6.911 40 10 KKCBRN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408741500 1071624589 /nfs/dbraw/zinc/62/45/89/1071624589.db2.gz JGRAGUAWKDOAOG-LPYMAVHISA-N 0 0 639.283 7.776 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000409006529 1071624631 /nfs/dbraw/zinc/62/46/31/1071624631.db2.gz KGFMOVKWTLJTKK-WQRHYEAKSA-N 0 0 559.878 6.143 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409006053 1071626054 /nfs/dbraw/zinc/62/60/54/1071626054.db2.gz HEJCQCWFFHXBHM-UHFFFAOYSA-N 0 0 561.594 5.605 40 10 KKCBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)NC1=S ZINC000409005476 1071628485 /nfs/dbraw/zinc/62/84/85/1071628485.db2.gz DXXIRBHVJDVZPX-PXNMLYILSA-N 0 0 516.244 5.421 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2Br)cc1 ZINC000408755731 1071642585 /nfs/dbraw/zinc/64/25/85/1071642585.db2.gz OYNJLBLBFXNXAN-PXLXIMEGSA-N 0 0 507.384 5.700 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409000286 1071650494 /nfs/dbraw/zinc/65/04/94/1071650494.db2.gz YHWFJUYLDMWGPD-GSASKQFNSA-N 0 0 647.753 5.138 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000408753526 1071657367 /nfs/dbraw/zinc/65/73/67/1071657367.db2.gz NEMZEMJJHRCMPS-GZTJUZNOSA-N 0 0 531.233 7.244 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408999144 1071656458 /nfs/dbraw/zinc/65/64/58/1071656458.db2.gz SPMMONKFRPWFHW-XQNSMLJCSA-N 0 0 500.580 5.026 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408997541 1071664431 /nfs/dbraw/zinc/66/44/31/1071664431.db2.gz NBRIHDGPJQPHID-IMRQLAEWSA-N 0 0 526.589 5.288 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409016928 1071665556 /nfs/dbraw/zinc/66/55/56/1071665556.db2.gz LXLCKXOKLIILMI-UQQQWYQISA-N 0 0 543.616 5.207 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409016953 1071665591 /nfs/dbraw/zinc/66/55/91/1071665591.db2.gz BSBQZQSODYYRGA-FOQAXWDGSA-N 0 0 691.806 5.455 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409016163 1071668832 /nfs/dbraw/zinc/66/88/32/1071668832.db2.gz UUJUAQWLKVOBBW-XYGWBWBKSA-N 0 0 579.491 5.789 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409016173 1071668861 /nfs/dbraw/zinc/66/88/61/1071668861.db2.gz DLHBIHMRQLXECT-STBIYBPSSA-N 0 0 569.061 6.166 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409015214 1071673390 /nfs/dbraw/zinc/67/33/90/1071673390.db2.gz YYVHDRZQITYPTQ-MTDXEUNCSA-N 0 0 604.559 7.544 40 10 KKCBRN CCOc1cc(Br)c(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409014732 1071674462 /nfs/dbraw/zinc/67/44/62/1071674462.db2.gz YHQFMWWHCVZCGE-MHWRWJLKSA-N 0 0 523.836 5.073 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409014371 1071675604 /nfs/dbraw/zinc/67/56/04/1071675604.db2.gz PBKZRFWBPQEFJB-MFKUBSTISA-N 0 0 555.052 5.412 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409014241 1071676086 /nfs/dbraw/zinc/67/60/86/1071676086.db2.gz HNRGYNNIWYEGPX-BKUYFWCQSA-N 0 0 509.375 5.873 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000409012121 1071685689 /nfs/dbraw/zinc/68/56/89/1071685689.db2.gz IWGSWCBIQRUFIJ-MYYYXRDXSA-N 0 0 535.438 6.133 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000409013105 1071681496 /nfs/dbraw/zinc/68/14/96/1071681496.db2.gz MLXSPAHUOXFGPD-FDAWAROLSA-N 0 0 611.720 5.555 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409010984 1071689828 /nfs/dbraw/zinc/68/98/28/1071689828.db2.gz GPALDTYHARGNMG-TURZUDJPSA-N 0 0 542.705 5.603 40 10 KKCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409009596 1071695133 /nfs/dbraw/zinc/69/51/33/1071695133.db2.gz GQKVBVRZYCLTMO-BRPDVVIDSA-N 0 0 567.617 5.837 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000409009619 1071695210 /nfs/dbraw/zinc/69/52/10/1071695210.db2.gz GXXJYKGLTNYIGW-QJOMJCCJSA-N 0 0 508.540 6.028 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409008207 1071701356 /nfs/dbraw/zinc/70/13/56/1071701356.db2.gz WLZWLSKUSHLZHB-SXGWCWSVSA-N 0 0 547.721 6.665 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409017168 1071704108 /nfs/dbraw/zinc/70/41/08/1071704108.db2.gz LCMUYCZSDBWUFT-TVRVIFGSSA-N 0 0 696.225 6.100 40 10 KKCBRN COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408757793 1071710222 /nfs/dbraw/zinc/71/02/22/1071710222.db2.gz CCMJMQWZJUQQJV-CPNJWEJPSA-N 0 0 553.865 7.169 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409025388 1071709060 /nfs/dbraw/zinc/70/90/60/1071709060.db2.gz QNBLLARNOBKSMO-ZDLGFXPLSA-N 0 0 509.809 5.187 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)c2C)c1C ZINC000409023352 1071715826 /nfs/dbraw/zinc/71/58/26/1071715826.db2.gz KSIQKOFVZCWCDH-SAGCDJCOSA-N 0 0 634.733 5.516 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409024398 1071712309 /nfs/dbraw/zinc/71/23/09/1071712309.db2.gz RXOXXYFBVOZKFC-KQWNVCNZSA-N 0 0 583.495 5.961 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409023509 1071715457 /nfs/dbraw/zinc/71/54/57/1071715457.db2.gz GBSIERCZPYRPIX-XCQFLATRSA-N 0 0 591.708 5.791 40 10 KKCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000408757326 1071713077 /nfs/dbraw/zinc/71/30/77/1071713077.db2.gz YOBGINPOFCAMPW-KGENOOAVSA-N 0 0 512.201 6.055 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)sc2=N1 ZINC000409023776 1071714079 /nfs/dbraw/zinc/71/40/79/1071714079.db2.gz PFWQSJKDOJMGHG-ASUJOLEISA-N 0 0 627.763 5.090 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409023679 1071715112 /nfs/dbraw/zinc/71/51/12/1071715112.db2.gz BQKFTSNLUJNAGY-ZDLGFXPLSA-N 0 0 509.809 5.187 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409023636 1071715120 /nfs/dbraw/zinc/71/51/20/1071715120.db2.gz ZZEQXFFQOISIBG-UHFFFAOYSA-N 0 0 517.031 7.136 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408767180 1071716296 /nfs/dbraw/zinc/71/62/96/1071716296.db2.gz DVLAACINYYPANQ-UHFFFAOYSA-N 0 0 586.276 7.088 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409022600 1071718105 /nfs/dbraw/zinc/71/81/05/1071718105.db2.gz CFGMKYJQPMNUNO-KEPJHFNWSA-N 0 0 618.155 5.343 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccccc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408766720 1071719071 /nfs/dbraw/zinc/71/90/71/1071719071.db2.gz DMQGKDSOFYRWPP-XNMXCUJWSA-N 0 0 573.718 5.743 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000409021338 1071723556 /nfs/dbraw/zinc/72/35/56/1071723556.db2.gz BZBLQNFIGGLTMG-BFOKUZPWSA-N 0 0 579.747 5.713 40 10 KKCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409021269 1071723560 /nfs/dbraw/zinc/72/35/60/1071723560.db2.gz ZSCVBYLNIBWLNE-LQKURTRISA-N 0 0 597.133 5.961 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000409021228 1071724417 /nfs/dbraw/zinc/72/44/17/1071724417.db2.gz ZHNIEVZMILIWAZ-LPYMAVHISA-N 0 0 591.867 5.051 40 10 KKCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409020964 1071724425 /nfs/dbraw/zinc/72/44/25/1071724425.db2.gz WHFIMWXNUPTDMM-XHLNEMQHSA-N 0 0 519.601 5.786 40 10 KKCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409021076 1071724825 /nfs/dbraw/zinc/72/48/25/1071724825.db2.gz XPWWIMDMQNPOHI-QQXSKIMKSA-N 0 0 505.014 5.671 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409020648 1071725256 /nfs/dbraw/zinc/72/52/56/1071725256.db2.gz RNVXADFSECLFTM-GRSHGNNSSA-N 0 0 550.269 7.585 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020879 1071725289 /nfs/dbraw/zinc/72/52/89/1071725289.db2.gz VAJWKURSPGQETK-LPYMAVHISA-N 0 0 512.462 6.273 40 10 KKCBRN COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408764811 1071727446 /nfs/dbraw/zinc/72/74/46/1071727446.db2.gz YIWGPAMHAXVVCK-DEDYPNTBSA-N 0 0 551.849 6.938 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409019787 1071728341 /nfs/dbraw/zinc/72/83/41/1071728341.db2.gz XYNWCUVKYLWQNI-DWLKXISJSA-N 0 0 677.848 6.160 40 10 KKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409019647 1071728534 /nfs/dbraw/zinc/72/85/34/1071728534.db2.gz KBSDNAJMUFRWQQ-LPYMAVHISA-N 0 0 523.014 5.528 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409019703 1071729103 /nfs/dbraw/zinc/72/91/03/1071729103.db2.gz WHDRHUYJFRRIJL-WJTYMRCSSA-N 0 0 689.834 6.225 40 10 KKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3I)C2=O)cc1OC ZINC000408764018 1071729522 /nfs/dbraw/zinc/72/95/22/1071729522.db2.gz HWDULBXSTLWJJW-QGOAFFKASA-N 0 0 543.788 6.433 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409019405 1071730043 /nfs/dbraw/zinc/73/00/43/1071730043.db2.gz SBGSJCPFLIESIT-UQQQWYQISA-N 0 0 561.153 7.918 40 10 KKCBRN CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000409019071 1071730476 /nfs/dbraw/zinc/73/04/76/1071730476.db2.gz XZBCCUGIYASETP-BUVRLJJBSA-N 0 0 603.524 5.978 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000409018549 1071732677 /nfs/dbraw/zinc/73/26/77/1071732677.db2.gz HRDIGFGDOXYODR-IWIPYMOSSA-N 0 0 539.459 7.067 40 10 KKCBRN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 ZINC000408763332 1071732734 /nfs/dbraw/zinc/73/27/34/1071732734.db2.gz SBFQMYOFAOBLAQ-CPNJWEJPSA-N 0 0 511.803 7.291 40 10 KKCBRN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408763633 1071731844 /nfs/dbraw/zinc/73/18/44/1071731844.db2.gz JFLKEZQQWHFYSX-HAVVHWLPSA-N 0 0 518.009 6.785 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408762266 1071736315 /nfs/dbraw/zinc/73/63/15/1071736315.db2.gz NVYOYDUDGYIOJH-TUVDJZKNSA-N 0 0 695.841 7.027 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409018263 1071733549 /nfs/dbraw/zinc/73/35/49/1071733549.db2.gz SRPMAKIXHWBHOW-HAHDFKILSA-N 0 0 534.406 5.914 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(Cl)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C ZINC000409018153 1071734433 /nfs/dbraw/zinc/73/44/33/1071734433.db2.gz SQPQQXKYIXNVRH-FZEVDNDPSA-N 0 0 648.181 5.351 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408762941 1071734581 /nfs/dbraw/zinc/73/45/81/1071734581.db2.gz CQKAHTJJBPQSGJ-DAEMZRGMSA-N 0 0 616.699 6.065 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408762944 1071734690 /nfs/dbraw/zinc/73/46/90/1071734690.db2.gz CQKAHTJJBPQSGJ-SMMDIQCVSA-N 0 0 616.699 6.065 40 10 KKCBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCC)c(OCC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409017795 1071734730 /nfs/dbraw/zinc/73/47/30/1071734730.db2.gz PQDLQKWRWMDPPS-QGOAFFKASA-N 0 0 564.445 5.042 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2=N1 ZINC000409036967 1071739459 /nfs/dbraw/zinc/73/94/59/1071739459.db2.gz WUBYYHQJTHOFDJ-KEPJHFNWSA-N 0 0 713.492 6.520 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409036971 1071739558 /nfs/dbraw/zinc/73/95/58/1071739558.db2.gz CCHPCCJGWFBAIO-VIZOYTHASA-N 0 0 567.854 6.337 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035895 1071747561 /nfs/dbraw/zinc/74/75/61/1071747561.db2.gz QOIPIVHQXBPNOW-ADVVJVSQSA-N 0 0 770.304 6.389 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035940 1071747908 /nfs/dbraw/zinc/74/79/08/1071747908.db2.gz KPJOZDKXNYDBJX-PYCBVSLESA-N 0 0 585.726 5.002 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000409035978 1071745136 /nfs/dbraw/zinc/74/51/36/1071745136.db2.gz KTXALHCKWLHEKJ-CHHVJCJISA-N 0 0 648.753 7.034 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036112 1071746564 /nfs/dbraw/zinc/74/65/64/1071746564.db2.gz KONPBQISJIWDTL-ZPGSFCSMSA-N 0 0 782.743 6.481 40 10 KKCBRN CCOC(=O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)cc2Br)cc1 ZINC000409035249 1071751633 /nfs/dbraw/zinc/75/16/33/1071751633.db2.gz JJEQOKLTCACQPZ-YVLHZVERSA-N 0 0 609.345 6.706 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000409035713 1071748434 /nfs/dbraw/zinc/74/84/34/1071748434.db2.gz TYRFLWHRORFMLR-MIUGUJGPSA-N 0 0 608.135 5.787 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408776633 1071748983 /nfs/dbraw/zinc/74/89/83/1071748983.db2.gz XTTJALUEQSETJZ-JCMHNJIXSA-N 0 0 509.433 6.977 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)sc2=N1 ZINC000409034959 1071754852 /nfs/dbraw/zinc/75/48/52/1071754852.db2.gz IOKFPHNXODRTIF-ZTJHJZSNSA-N 0 0 703.486 7.064 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1F ZINC000409034782 1071758091 /nfs/dbraw/zinc/75/80/91/1071758091.db2.gz OKRJMXKXSRPKJR-MHWRWJLKSA-N 0 0 520.429 6.305 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)sc2=N1 ZINC000408774840 1071758436 /nfs/dbraw/zinc/75/84/36/1071758436.db2.gz NNBXVZLDCKCBIF-SELCLYCASA-N 0 0 620.190 6.902 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409033976 1071763964 /nfs/dbraw/zinc/76/39/64/1071763964.db2.gz MNBTVYAMSIBWEA-HYARGMPZSA-N 0 0 542.388 7.962 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033943 1071763974 /nfs/dbraw/zinc/76/39/74/1071763974.db2.gz GCCPJWIMTWZCDA-QQMBNGEASA-N 0 0 644.750 5.218 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408774026 1071764728 /nfs/dbraw/zinc/76/47/28/1071764728.db2.gz LEWUFKOHQWXULZ-OSWZSTQVSA-N 0 0 510.590 5.210 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033502 1071768194 /nfs/dbraw/zinc/76/81/94/1071768194.db2.gz FIDMEOAJLWNVSG-NRMIBXRVSA-N 0 0 760.740 7.887 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033634 1071769524 /nfs/dbraw/zinc/76/95/24/1071769524.db2.gz FVXKJXLFYBSKCA-TVRVIFGSSA-N 0 0 671.816 5.280 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409033068 1071772713 /nfs/dbraw/zinc/77/27/13/1071772713.db2.gz DJGIRHBWINFBPK-AUWJEWJLSA-N 0 0 514.281 6.903 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032823 1071775978 /nfs/dbraw/zinc/77/59/78/1071775978.db2.gz DOFKJXWLJIDODH-WBRJKWTCSA-N 0 0 705.833 5.823 40 10 KKCBRN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000408771994 1071777352 /nfs/dbraw/zinc/77/73/52/1071777352.db2.gz MGFOPUUZBUOHCS-UHFFFAOYSA-N 0 0 579.678 6.404 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408771818 1071778221 /nfs/dbraw/zinc/77/82/21/1071778221.db2.gz KJOCNOCXONYMIW-GXKLVUONSA-N 0 0 524.617 5.377 40 10 KKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408771822 1071778429 /nfs/dbraw/zinc/77/84/29/1071778429.db2.gz KJOCNOCXONYMIW-UURCYHJQSA-N 0 0 524.617 5.377 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409032359 1071780160 /nfs/dbraw/zinc/78/01/60/1071780160.db2.gz CWLLIKKEFYEGIY-YIXHJXPBSA-N 0 0 732.068 8.441 40 10 KKCBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccc(F)cc1 ZINC000409032472 1071781141 /nfs/dbraw/zinc/78/11/41/1071781141.db2.gz CEKYQBIZMFZWMH-PXNMLYILSA-N 0 0 632.298 6.520 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409032292 1071782113 /nfs/dbraw/zinc/78/21/13/1071782113.db2.gz CHDMBRARLIHFNY-XKZIYDEJSA-N 0 0 569.505 7.314 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1O[C@@H](C)CC ZINC000409031832 1071785670 /nfs/dbraw/zinc/78/56/70/1071785670.db2.gz AXNTUDUVKPVFSE-BNDQCTAISA-N 0 0 547.318 6.527 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(C)n(-c6ccc(C)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408769750 1071790826 /nfs/dbraw/zinc/79/08/26/1071790826.db2.gz OLGBPKQPYCIGCY-WKIZKNSPSA-N 0 0 587.745 6.052 40 10 KKCBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c1 ZINC000408770403 1071787181 /nfs/dbraw/zinc/78/71/81/1071787181.db2.gz XAQUQAYCVBATSO-WOSHRIRTSA-N 0 0 609.151 5.943 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)sc2=N1 ZINC000409030907 1071792538 /nfs/dbraw/zinc/79/25/38/1071792538.db2.gz ILKLPTMLRBOARM-ASUJOLEISA-N 0 0 616.183 5.877 40 10 KKCBRN Cc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc2n1Cc1ccccc1F ZINC000409030916 1071793076 /nfs/dbraw/zinc/79/30/76/1071793076.db2.gz ILWZWUKLFZJDFW-BOPFTXTBSA-N 0 0 513.441 6.639 40 10 KKCBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)sc2=N1 ZINC000409031012 1071793633 /nfs/dbraw/zinc/79/36/33/1071793633.db2.gz FZHWBCPTRVCMFJ-GEYGMGCISA-N 0 0 672.634 7.092 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409030350 1071798923 /nfs/dbraw/zinc/79/89/23/1071798923.db2.gz FQWWKTRVIXGQLT-AWNIVKPZSA-N 0 0 606.172 7.837 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000408768607 1071799841 /nfs/dbraw/zinc/79/98/41/1071799841.db2.gz HSXZHHZYUFNZAQ-VXHGTMSESA-N 0 0 509.433 6.835 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030211 1071800463 /nfs/dbraw/zinc/80/04/63/1071800463.db2.gz DUGMVYFJKAPXCA-LMGFFNHESA-N 0 0 753.849 5.874 40 10 KKCBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(F)c(Cl)c6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408767647 1071807040 /nfs/dbraw/zinc/80/70/40/1071807040.db2.gz FXNSNSBFKWAJKI-RIFKOAFWSA-N 0 0 596.127 6.527 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000409029475 1071807709 /nfs/dbraw/zinc/80/77/09/1071807709.db2.gz AFVRVYIWNDTOAH-OQLLNIDSSA-N 0 0 555.272 6.669 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1cccc(C)c1 ZINC000409038304 1071816333 /nfs/dbraw/zinc/81/63/33/1071816333.db2.gz VFEMDJRIKAFPQM-LZYBPNLTSA-N 0 0 536.884 6.738 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccccc1F ZINC000409037647 1071821222 /nfs/dbraw/zinc/82/12/22/1071821222.db2.gz YDHSZHJMZDCZSZ-VGOFMYFVSA-N 0 0 585.298 6.677 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408780734 1071823012 /nfs/dbraw/zinc/82/30/12/1071823012.db2.gz JGODVQKPQNKMBV-NHDPSOOVSA-N 0 0 515.824 6.932 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OCC)=C(c3ccccc3)N=4)c2C)cc1 ZINC000408781169 1071820058 /nfs/dbraw/zinc/82/00/58/1071820058.db2.gz ARGHUMCQOLZDCA-GWXNNEATSA-N 0 0 677.848 6.242 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc2n1Cc1ccc(Cl)cc1 ZINC000409037423 1071824479 /nfs/dbraw/zinc/82/44/79/1071824479.db2.gz CIGOWVLFBAJHSN-WOJGMQOQSA-N 0 0 543.923 7.461 40 10 KKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c2n1Cc1ccc(Cl)cc1Cl ZINC000409045926 1071835770 /nfs/dbraw/zinc/83/57/70/1071835770.db2.gz PZUXJTGPNBSVHD-OEAKJJBVSA-N 0 0 542.388 7.962 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409046412 1071832819 /nfs/dbraw/zinc/83/28/19/1071832819.db2.gz RFNGOWWISOVZBC-NSIKDUERSA-N 0 0 650.225 8.235 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2sc(=CC3=CC(=NNc4ccccc4)C=CC3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408778427 1071838276 /nfs/dbraw/zinc/83/82/76/1071838276.db2.gz FWRQVOCGSRAJCP-HGVGWOEQSA-N 0 0 570.696 5.641 40 10 KKCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409045732 1071839495 /nfs/dbraw/zinc/83/94/95/1071839495.db2.gz HKDKKDUGLZPBGR-UHFFFAOYSA-N 0 0 557.433 7.464 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408786953 1071846561 /nfs/dbraw/zinc/84/65/61/1071846561.db2.gz YMWGNIYNGDRFKO-DCLYXHRQSA-N 0 0 524.617 5.519 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408786733 1071849166 /nfs/dbraw/zinc/84/91/66/1071849166.db2.gz VRUSHNZQHZTUBL-UHSZJLINSA-N 0 0 589.486 5.973 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1ccc(Br)cc1 ZINC000409044172 1071850450 /nfs/dbraw/zinc/85/04/50/1071850450.db2.gz OERZWPQZHWWRRP-CHHVJCJISA-N 0 0 789.074 7.739 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409043799 1071856220 /nfs/dbraw/zinc/85/62/20/1071856220.db2.gz ZSFIZMQHWJJQGF-LZYBPNLTSA-N 0 0 599.325 7.068 40 10 KKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000408784591 1071862756 /nfs/dbraw/zinc/86/27/56/1071862756.db2.gz VLVJDGRRPNUNAA-FDRCZSESSA-N 0 0 514.553 5.277 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409043466 1071858820 /nfs/dbraw/zinc/85/88/20/1071858820.db2.gz QYNQDFPEAKFULI-VUTHCHCSSA-N 0 0 605.647 5.657 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000409043523 1071858832 /nfs/dbraw/zinc/85/88/32/1071858832.db2.gz MUVCUCKGIKADNT-QCDXTXTGSA-N 0 0 651.169 7.745 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408784870 1071859788 /nfs/dbraw/zinc/85/97/88/1071859788.db2.gz CVAAGVVKVYAURU-SJIPCVTESA-N 0 0 567.714 7.818 40 10 KKCBRN CC(C)CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC1=S ZINC000409043180 1071861412 /nfs/dbraw/zinc/86/14/12/1071861412.db2.gz ZZRNKSQTNGPLND-NVMNQCDNSA-N 0 0 714.226 7.095 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000409042896 1071864326 /nfs/dbraw/zinc/86/43/26/1071864326.db2.gz LHMIHELYLFZCTQ-PXNMLYILSA-N 0 0 662.780 7.424 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041869 1071875746 /nfs/dbraw/zinc/87/57/46/1071875746.db2.gz VZJZZINLEMVJCW-LHOSBTIMSA-N 0 0 679.795 5.310 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409041573 1071878871 /nfs/dbraw/zinc/87/88/71/1071878871.db2.gz AQLDCOIRZXHYTR-ASZNLBCTSA-N 0 0 669.598 5.248 40 10 KKCBRN O=C1C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409041464 1071879888 /nfs/dbraw/zinc/87/98/88/1071879888.db2.gz JNSOSTUHFWHENP-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(I)cc(I)c1OCc1cccc2ccccc21 ZINC000409039950 1071893565 /nfs/dbraw/zinc/89/35/65/1071893565.db2.gz RRQFFTBBVFTPSY-GRSHGNNSSA-N 0 0 760.238 8.130 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408789143 1071896554 /nfs/dbraw/zinc/89/65/54/1071896554.db2.gz JTNCKKTZMVOXGW-PKAZHMFMSA-N 0 0 526.589 5.207 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408788251 1071899011 /nfs/dbraw/zinc/89/90/11/1071899011.db2.gz DBBRDDLEHCYWLY-UQQQWYQISA-N 0 0 561.432 5.734 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038833 1071904796 /nfs/dbraw/zinc/90/47/96/1071904796.db2.gz FSENDOSVEVWDFI-ZJKBLPEWSA-N 0 0 726.295 7.234 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408787993 1071900112 /nfs/dbraw/zinc/90/01/12/1071900112.db2.gz BWLQDCPLCFFAHX-UHFFFAOYSA-N 0 0 659.680 7.451 40 10 KKCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(C)cc1 ZINC000409039178 1071902417 /nfs/dbraw/zinc/90/24/17/1071902417.db2.gz QRQNFVWNVMXSDN-LZYBPNLTSA-N 0 0 581.335 6.847 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409038467 1071906870 /nfs/dbraw/zinc/90/68/70/1071906870.db2.gz VNGTYLIGRWRCDM-KGENOOAVSA-N 0 0 624.635 7.788 40 10 KKCBRN Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1Cl ZINC000409048914 1071913899 /nfs/dbraw/zinc/91/38/99/1071913899.db2.gz VABFMXGBXONLJF-UDWIEESQSA-N 0 0 568.811 5.095 40 10 KKCBRN O=C1C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409049538 1071913429 /nfs/dbraw/zinc/91/34/29/1071913429.db2.gz WFOUMSIUSVZIFE-UHFFFAOYSA-N 0 0 682.368 8.527 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc(I)cc1 ZINC000409050595 1071911113 /nfs/dbraw/zinc/91/11/13/1071911113.db2.gz XOHJVUDUTNVMFR-SXGWCWSVSA-N 0 0 571.287 6.200 40 10 KKCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc2c(c1)OCO2 ZINC000409047432 1071915614 /nfs/dbraw/zinc/91/56/14/1071915614.db2.gz MOCOHPBKTOMZSK-LZYBPNLTSA-N 0 0 546.448 5.895 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(C)cc1 ZINC000409047507 1071916113 /nfs/dbraw/zinc/91/61/13/1071916113.db2.gz OCHHTUFNTRHDLM-LPYMAVHISA-N 0 0 540.255 6.905 40 10 KKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)C(C)=C3C(=O)OC)c2C)cc1 ZINC000409057228 1071917725 /nfs/dbraw/zinc/91/77/25/1071917725.db2.gz JZEDXCPBVWTNRA-IWIPYMOSSA-N 0 0 521.013 6.032 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000409056711 1071918715 /nfs/dbraw/zinc/91/87/15/1071918715.db2.gz NKXQNXHMIUBABW-IWIPYMOSSA-N 0 0 521.013 6.032 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCCCC4)cc3)sc2=N1 ZINC000409056848 1071919881 /nfs/dbraw/zinc/91/98/81/1071919881.db2.gz OMRSEGTUFVYXGT-OXWVMCNISA-N 0 0 624.601 5.340 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409055523 1071927870 /nfs/dbraw/zinc/92/78/70/1071927870.db2.gz ZDDGNHXHASQODT-QRVIBDJDSA-N 0 0 555.475 6.646 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409055815 1071926138 /nfs/dbraw/zinc/92/61/38/1071926138.db2.gz FEPFDTCZRDOQCF-BKUYFWCQSA-N 0 0 539.415 6.065 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409054669 1071931634 /nfs/dbraw/zinc/93/16/34/1071931634.db2.gz VHJHYZNXTYSPEY-MXAYSNPKSA-N 0 0 554.531 7.055 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409053973 1071935580 /nfs/dbraw/zinc/93/55/80/1071935580.db2.gz KYKMNWWMYAITBN-ONUIUJJFSA-N 0 0 512.606 5.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409052705 1071944880 /nfs/dbraw/zinc/94/48/80/1071944880.db2.gz LPHOVSLJRUIMFK-MYYYXRDXSA-N 0 0 568.558 7.445 40 10 KKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)SC2=S)cc1 ZINC000409051949 1071948829 /nfs/dbraw/zinc/94/88/29/1071948829.db2.gz HIWWRIDRURLMIX-JJFYIABZSA-N 0 0 658.264 8.807 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409050877 1071954144 /nfs/dbraw/zinc/95/41/44/1071954144.db2.gz BVGCHHVVKCMUCO-MSXFZWOLSA-N 0 0 670.421 8.286 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409051549 1071950921 /nfs/dbraw/zinc/95/09/21/1071950921.db2.gz DYNQMUQKOYOQKE-WGARJPEWSA-N 0 0 568.558 7.445 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409050898 1071954569 /nfs/dbraw/zinc/95/45/69/1071954569.db2.gz CNZBRVGNTLCDFX-OYKKKHCWSA-N 0 0 588.976 7.790 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)sc2=N1 ZINC000409050051 1071960701 /nfs/dbraw/zinc/96/07/01/1071960701.db2.gz SGGSERDLVNRCIG-LXKZMGPHSA-N 0 0 710.694 7.424 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC ZINC000409050231 1071959328 /nfs/dbraw/zinc/95/93/28/1071959328.db2.gz SSZLWBWMQHMVJN-WDZFZDKYSA-N 0 0 566.264 5.590 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)c(=O)n32)cc1 ZINC000409049348 1071964971 /nfs/dbraw/zinc/96/49/71/1071964971.db2.gz ZELMJIKGFGTCGK-OXDPQRGISA-N 0 0 583.754 5.610 40 10 KKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409049363 1071964990 /nfs/dbraw/zinc/96/49/90/1071964990.db2.gz QNOMRJYQMDXTIR-CHHVJCJISA-N 0 0 606.172 7.837 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409048741 1071968845 /nfs/dbraw/zinc/96/88/45/1071968845.db2.gz SYWGAGQTKPVTBB-UHFFFAOYSA-N 0 0 543.406 7.156 40 10 KKCBRN O=C1C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409047957 1071974472 /nfs/dbraw/zinc/97/44/72/1071974472.db2.gz QDKSHXGKTWOGSL-UHFFFAOYSA-N 0 0 612.296 8.463 40 10 KKCBRN O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409047959 1071974544 /nfs/dbraw/zinc/97/45/44/1071974544.db2.gz QEGJOBZIGIOOPQ-UXHLAJHPSA-N 0 0 623.492 7.971 40 10 KKCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000409047917 1071976710 /nfs/dbraw/zinc/97/67/10/1071976710.db2.gz NPYPLLSBXUKGBK-NULZLWRNSA-N 0 0 573.690 5.132 40 10 KKCBRN Cc1ccc(COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409058778 1071984473 /nfs/dbraw/zinc/98/44/73/1071984473.db2.gz SZUWFIXTLCVYKB-UHFFFAOYSA-N 0 0 646.335 7.682 40 10 KKCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409058833 1071984910 /nfs/dbraw/zinc/98/49/10/1071984910.db2.gz LOUBXKRAHNGUGA-OYKKKHCWSA-N 0 0 508.540 6.607 40 10 KKCBRN O=C1C(=Cc2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409058190 1071988210 /nfs/dbraw/zinc/98/82/10/1071988210.db2.gz SBTNYCNRUXUURZ-UHFFFAOYSA-N 0 0 682.368 8.527 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409057755 1071990741 /nfs/dbraw/zinc/99/07/41/1071990741.db2.gz HWIMFSDYXCOZLH-UOZQHNDTSA-N 0 0 607.776 5.631 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409063098 1071996940 /nfs/dbraw/zinc/99/69/40/1071996940.db2.gz GVMKSBJGQKHHLA-ZGOFBEGVSA-N 0 0 546.092 5.168 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409057315 1071993577 /nfs/dbraw/zinc/99/35/77/1071993577.db2.gz KLMKWSFTNFNDFK-QRVIBDJDSA-N 0 0 506.986 5.642 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000409057438 1071994205 /nfs/dbraw/zinc/99/42/05/1071994205.db2.gz QBASFQDGAGLZPZ-UUYOSTAYSA-N 0 0 511.405 6.287 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409063042 1071996426 /nfs/dbraw/zinc/99/64/26/1071996426.db2.gz FZXMVPVHHQLCBM-OGLMXYFKSA-N 0 0 636.686 5.986 40 10 KKCBRN O=C1C(=Cc2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409066582 1072002564 /nfs/dbraw/zinc/00/25/64/1072002564.db2.gz WDOHXMAYOUIQTN-UHFFFAOYSA-N 0 0 581.028 6.963 40 10 KKCBRN O=C1C(=Cc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409067007 1071999132 /nfs/dbraw/zinc/99/91/32/1071999132.db2.gz OMVODOBCMGWYEC-UHFFFAOYSA-N 0 0 558.999 5.691 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CCCC4)cc3C)sc2=N1 ZINC000409066979 1071999139 /nfs/dbraw/zinc/99/91/39/1071999139.db2.gz INPORZVMOURPAW-IEIVDPGYSA-N 0 0 595.765 5.649 40 10 KKCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409065470 1072008647 /nfs/dbraw/zinc/00/86/47/1072008647.db2.gz SNEAJOFYMOYXJR-UHFFFAOYSA-N 0 0 649.729 6.207 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1N1CCCC1 ZINC000409064354 1072015536 /nfs/dbraw/zinc/01/55/36/1072015536.db2.gz CBZFFKMZAZSBOJ-HSUOJCLFSA-N 0 0 569.130 5.436 40 10 KKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409062535 1072024751 /nfs/dbraw/zinc/02/47/51/1072024751.db2.gz WIOVYBMWHIGOQW-UUYOSTAYSA-N 0 0 525.432 6.595 40 10 KKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409062548 1072024760 /nfs/dbraw/zinc/02/47/60/1072024760.db2.gz WPKHWAUNBYXZNO-YSMPRRRNSA-N 0 0 503.042 6.940 40 10 KKCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409061399 1072028906 /nfs/dbraw/zinc/02/89/06/1072028906.db2.gz ZJQYVYHWSTUTTA-FBHDLOMBSA-N 0 0 515.824 6.932 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409061820 1072026578 /nfs/dbraw/zinc/02/65/78/1072026578.db2.gz IQEASOFKJFNBJC-MAKYVFJGSA-N 0 0 593.749 5.323 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409061897 1072026885 /nfs/dbraw/zinc/02/68/85/1072026885.db2.gz JTUPLNMZUVRWGL-QCLXOHTFSA-N 0 0 593.749 5.243 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409067313 1072039444 /nfs/dbraw/zinc/03/94/44/1072039444.db2.gz QDLDIPJBCKBTMS-CCVNUDIWSA-N 0 0 564.444 7.212 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409077099 1072043259 /nfs/dbraw/zinc/04/32/59/1072043259.db2.gz CWAFJIITDCICOS-BWAHOGKJSA-N 0 0 545.016 5.951 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409077138 1072044300 /nfs/dbraw/zinc/04/43/00/1072044300.db2.gz DHOJPGRWNIUKKZ-ZCTHSVRISA-N 0 0 677.620 8.555 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409076922 1072044791 /nfs/dbraw/zinc/04/47/91/1072044791.db2.gz CPEDOTSJRDAUEO-CRCYZHLCSA-N 0 0 732.438 5.582 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409076933 1072045502 /nfs/dbraw/zinc/04/55/02/1072045502.db2.gz CPEDOTSJRDAUEO-FQKMCRJQSA-N 0 0 732.438 5.582 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409076364 1072052303 /nfs/dbraw/zinc/05/23/03/1072052303.db2.gz AYIUGVIIEHNJRQ-VBNMEBLOSA-N 0 0 554.915 6.070 40 10 KKCBRN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409075204 1072062946 /nfs/dbraw/zinc/06/29/46/1072062946.db2.gz PNXADCMVSQTISC-JAIQZWGSSA-N 0 0 517.754 5.449 40 10 KKCBRN Cc1cc(N2CCCC2)ccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409071906 1072085475 /nfs/dbraw/zinc/08/54/75/1072085475.db2.gz QHNONGGWNIQGTC-OUXZYKPHSA-N 0 0 576.766 5.906 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409070457 1072094859 /nfs/dbraw/zinc/09/48/59/1072094859.db2.gz XVFIREJIPQWXIY-UHFFFAOYSA-N 0 0 568.607 5.436 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409070150 1072096767 /nfs/dbraw/zinc/09/67/67/1072096767.db2.gz XUBOFNNYBFDLRD-JFLMPSFJSA-N 0 0 532.427 7.077 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409069634 1072101434 /nfs/dbraw/zinc/10/14/34/1072101434.db2.gz WMLYUWBJDKRJBN-UHFFFAOYSA-N 0 0 694.503 6.041 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409068272 1072112243 /nfs/dbraw/zinc/11/22/43/1072112243.db2.gz LATBBMJBVLAXTE-SUAMDDGLSA-N 0 0 590.543 5.277 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409068105 1072113102 /nfs/dbraw/zinc/11/31/02/1072113102.db2.gz KDWKNXZONOWOJF-QCLXOHTFSA-N 0 0 593.749 5.243 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409068419 1072111236 /nfs/dbraw/zinc/11/12/36/1072111236.db2.gz GGWDBMPGLZLIQE-LQKURTRISA-N 0 0 529.999 6.559 40 10 KKCBRN CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(OCc2ccc(I)cc2)c1 ZINC000409067698 1072116099 /nfs/dbraw/zinc/11/60/99/1072116099.db2.gz YYFLODAZYGIUHN-MFKUBSTISA-N 0 0 581.479 5.487 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409067474 1072117919 /nfs/dbraw/zinc/11/79/19/1072117919.db2.gz YFYOGGCESKJIIX-QARYAGPDSA-N 0 0 610.961 5.622 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079556 1072132682 /nfs/dbraw/zinc/13/26/82/1072132682.db2.gz KXEGSCSSPLTYHT-VCHYOVAHSA-N 0 0 602.195 6.626 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409078593 1072144951 /nfs/dbraw/zinc/14/49/51/1072144951.db2.gz IMJHCWNFKCOAHW-DGMIEQENSA-N 0 0 505.661 6.198 40 10 KKCBRN O=C1C(=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409077759 1072151573 /nfs/dbraw/zinc/15/15/73/1072151573.db2.gz GSEPJEXMYHCQBC-UHFFFAOYSA-N 0 0 760.366 7.362 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409087057 1072160693 /nfs/dbraw/zinc/16/06/93/1072160693.db2.gz AERGXYGOFMDBEQ-WCEBZYJUSA-N 0 0 599.487 5.788 40 10 KKCBRN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000409086906 1072162147 /nfs/dbraw/zinc/16/21/47/1072162147.db2.gz XISQELMOYDBUHF-OFWBYEQRSA-N 0 0 515.012 7.907 40 10 KKCBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C)c(I)c5)c4C)c(=O)n32)cc1 ZINC000409085379 1072178402 /nfs/dbraw/zinc/17/84/02/1072178402.db2.gz XBYNAKPCEIHTOS-KOHOJCOXSA-N 0 0 714.629 6.203 40 10 KKCBRN O=C1/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084085 1072193977 /nfs/dbraw/zinc/19/39/77/1072193977.db2.gz WLIHUBORACXEOL-WSLMLHKMSA-N 0 0 708.337 5.763 40 10 KKCBRN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409083933 1072195011 /nfs/dbraw/zinc/19/50/11/1072195011.db2.gz WCGYPPADEUJQNH-UHFFFAOYSA-N 0 0 538.987 6.511 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409082987 1072207171 /nfs/dbraw/zinc/20/71/71/1072207171.db2.gz RPTNODBXTHMERV-UMUMUWHJSA-N 0 0 568.942 6.460 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083545 1072200727 /nfs/dbraw/zinc/20/07/27/1072200727.db2.gz STHYXTDYWFGAHR-VCHYOVAHSA-N 0 0 536.293 7.519 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409082803 1072208611 /nfs/dbraw/zinc/20/86/11/1072208611.db2.gz SXFXGKUUTNBIGO-JLPGSUDCSA-N 0 0 579.461 6.604 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(F)cc1 ZINC000409087347 1072228723 /nfs/dbraw/zinc/22/87/23/1072228723.db2.gz YKBRAXNSLQFCLX-ONUIUJJFSA-N 0 0 618.446 7.243 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1[N+](=O)[O-] ZINC000409096274 1072235827 /nfs/dbraw/zinc/23/58/27/1072235827.db2.gz JZAREURKKJABNQ-CIAFOILYSA-N 0 0 509.540 5.401 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095683 1072239629 /nfs/dbraw/zinc/23/96/29/1072239629.db2.gz DFTNGWRBJJKBAF-UNDLXJOSSA-N 0 0 631.198 5.260 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409095245 1072241964 /nfs/dbraw/zinc/24/19/64/1072241964.db2.gz BOKDTKZUPXMSOT-DJPQNNMESA-N 0 0 612.796 5.145 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409326841 1072243650 /nfs/dbraw/zinc/24/36/50/1072243650.db2.gz FFPVMZJFELAWDO-NUGSKGIGSA-N 0 0 546.453 6.716 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409326670 1072244361 /nfs/dbraw/zinc/24/43/61/1072244361.db2.gz DDJLPMIYIHBFKF-XYGWBWBKSA-N 0 0 534.659 5.826 40 10 KKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409326690 1072244417 /nfs/dbraw/zinc/24/44/17/1072244417.db2.gz DGKWCEVHLDDNDU-LSHDLFTRSA-N 0 0 597.408 8.463 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409326712 1072244992 /nfs/dbraw/zinc/24/49/92/1072244992.db2.gz DTMVSERWCYPALF-ZVBGSRNCSA-N 0 0 523.504 5.430 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409326458 1072248076 /nfs/dbraw/zinc/24/80/76/1072248076.db2.gz BWHDYCJPILMAIB-FSJBWODESA-N 0 0 524.645 6.310 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)SC2=S)cc1 ZINC000409326661 1072247099 /nfs/dbraw/zinc/24/70/99/1072247099.db2.gz DCBDOBIVUOIDAI-HYARGMPZSA-N 0 0 512.450 6.443 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409093331 1072255213 /nfs/dbraw/zinc/25/52/13/1072255213.db2.gz YXUOIKOLQKZREJ-XYGWBWBKSA-N 0 0 529.423 7.416 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409092965 1072257467 /nfs/dbraw/zinc/25/74/67/1072257467.db2.gz XDINTTGSGVDJHC-UQQQWYQISA-N 0 0 603.494 6.368 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409092221 1072263540 /nfs/dbraw/zinc/26/35/40/1072263540.db2.gz UAXJFYZOCJQFRV-UZQMFHLOSA-N 0 0 660.393 6.412 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)c1 ZINC000409091932 1072266059 /nfs/dbraw/zinc/26/60/59/1072266059.db2.gz VWDPPPYJDVBKLF-LFVJCYFKSA-N 0 0 503.624 6.084 40 10 KKCBRN O=C1/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409090928 1072275983 /nfs/dbraw/zinc/27/59/83/1072275983.db2.gz NUEKROKJRVIJOV-PLRJNAJWSA-N 0 0 514.990 5.942 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409091109 1072274699 /nfs/dbraw/zinc/27/46/99/1072274699.db2.gz PINVATCWODUJLJ-CTPANLQCSA-N 0 0 615.942 6.303 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409091698 1072269795 /nfs/dbraw/zinc/26/97/95/1072269795.db2.gz TWUXAYUKZYGIAF-UZQMFHLOSA-N 0 0 615.942 6.303 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409087876 1072303884 /nfs/dbraw/zinc/30/38/84/1072303884.db2.gz UTYWLABDVPTTDH-LCQSEVKBSA-N 0 0 620.569 5.285 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409087878 1072303923 /nfs/dbraw/zinc/30/39/23/1072303923.db2.gz UTYWLABDVPTTDH-UQDCTOEPSA-N 0 0 620.569 5.285 40 10 KKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409099695 1072324495 /nfs/dbraw/zinc/32/44/95/1072324495.db2.gz SCFKBRUSQMWLEI-BUVRLJJBSA-N 0 0 585.520 7.425 40 10 KKCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)SC2=S)c1 ZINC000409098182 1072332273 /nfs/dbraw/zinc/33/22/73/1072332273.db2.gz OBZMPMDEXGERQO-JVWAILMASA-N 0 0 619.537 7.825 40 10 KKCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409106740 1072342170 /nfs/dbraw/zinc/34/21/70/1072342170.db2.gz OSIDEYJHSBMYIH-MAKCPWPFSA-N 0 0 569.477 6.033 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409335713 1072337605 /nfs/dbraw/zinc/33/76/05/1072337605.db2.gz YXBBLSUQTSDZBK-JJFYIABZSA-N 0 0 687.364 7.890 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000409335367 1072339923 /nfs/dbraw/zinc/33/99/23/1072339923.db2.gz ZHWPIBAWSPLJPL-OEAKJJBVSA-N 0 0 524.595 5.266 40 10 KKCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107035 1072340632 /nfs/dbraw/zinc/34/06/32/1072340632.db2.gz PVDGPBLTLIKLCU-NTNOMAAHSA-N 0 0 730.672 6.278 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC ZINC000409335073 1072341691 /nfs/dbraw/zinc/34/16/91/1072341691.db2.gz XLMBYKMQMMFWOO-SXGWCWSVSA-N 0 0 518.376 6.281 40 10 KKCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1I ZINC000409334772 1072343396 /nfs/dbraw/zinc/34/33/96/1072343396.db2.gz WDSLYQHIJQBDCR-XDHOZWIPSA-N 0 0 503.386 5.859 40 10 KKCBRN CCCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC ZINC000409106456 1072343948 /nfs/dbraw/zinc/34/39/48/1072343948.db2.gz NPHIBTZFJMOMBN-BUVRLJJBSA-N 0 0 615.546 7.434 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409334433 1072345415 /nfs/dbraw/zinc/34/54/15/1072345415.db2.gz XUHQTPPPDVNJBH-YDZHTSKRSA-N 0 0 541.050 5.781 40 10 KKCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409334274 1072346664 /nfs/dbraw/zinc/34/66/64/1072346664.db2.gz WOLLGSMBPSUMKD-REZTVBANSA-N 0 0 500.823 5.534 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409334299 1072346723 /nfs/dbraw/zinc/34/67/23/1072346723.db2.gz WRAYZNSRQWMIGX-YBFXNURJSA-N 0 0 544.408 5.959 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409334292 1072346834 /nfs/dbraw/zinc/34/68/34/1072346834.db2.gz WPNKTVIKZLPKCV-VIZOYTHASA-N 0 0 531.316 6.348 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409334374 1072347161 /nfs/dbraw/zinc/34/71/61/1072347161.db2.gz XFJACSPULNIIAY-YVNNLAQVSA-N 0 0 615.438 8.517 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409334174 1072348084 /nfs/dbraw/zinc/34/80/84/1072348084.db2.gz VUKRSOAYWSIUDC-SRZZPIQSSA-N 0 0 551.314 7.741 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccccc1F ZINC000409334085 1072349844 /nfs/dbraw/zinc/34/98/44/1072349844.db2.gz TUYHBHFSXUTCEQ-JMIUGGIZSA-N 0 0 599.381 7.713 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409333790 1072351627 /nfs/dbraw/zinc/35/16/27/1072351627.db2.gz WBICPYWKBYGIQM-OEAKJJBVSA-N 0 0 558.494 7.280 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409333548 1072352011 /nfs/dbraw/zinc/35/20/11/1072352011.db2.gz SSBWYPLVPPNJBC-LZYBPNLTSA-N 0 0 500.823 5.621 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409333555 1072352120 /nfs/dbraw/zinc/35/21/20/1072352120.db2.gz SSLDLGDIFHNPOE-CIAFOILYSA-N 0 0 672.791 7.701 40 10 KKCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409333652 1072352829 /nfs/dbraw/zinc/35/28/29/1072352829.db2.gz UXHPWOUDHFGQGY-MSXFZWOLSA-N 0 0 506.649 6.477 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409333613 1072352841 /nfs/dbraw/zinc/35/28/41/1072352841.db2.gz KQIZYCKHYJSZMT-PRLWALMFSA-N 0 0 621.115 5.466 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(C)c1 ZINC000409333607 1072352863 /nfs/dbraw/zinc/35/28/63/1072352863.db2.gz URSXFBRFMZKQBV-UUYOSTAYSA-N 0 0 623.819 8.467 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409333226 1072356301 /nfs/dbraw/zinc/35/63/01/1072356301.db2.gz RIUYCSISLXDSLN-SCDVKCJHSA-N 0 0 699.100 9.810 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409332966 1072356460 /nfs/dbraw/zinc/35/64/60/1072356460.db2.gz TYJWYCFBHDNJGC-MFOYZWKCSA-N 0 0 623.412 5.666 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409104091 1072356871 /nfs/dbraw/zinc/35/68/71/1072356871.db2.gz DJOCAVFNDOGJLT-JFLMPSFJSA-N 0 0 532.427 7.077 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409332547 1072359866 /nfs/dbraw/zinc/35/98/66/1072359866.db2.gz QDRHGADDEPLRKF-XKZIYDEJSA-N 0 0 546.895 7.096 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000409332337 1072362787 /nfs/dbraw/zinc/36/27/87/1072362787.db2.gz QTSZIOFHMGVBHF-CAOOACKPSA-N 0 0 668.756 6.063 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409332083 1072363430 /nfs/dbraw/zinc/36/34/30/1072363430.db2.gz PYJNVEYTBOCVFT-LPYMAVHISA-N 0 0 511.024 5.772 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCC ZINC000409332116 1072363719 /nfs/dbraw/zinc/36/37/19/1072363719.db2.gz QAMBZFKZLVJKTO-ATVHPVEESA-N 0 0 517.454 5.623 40 10 KKCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000409331848 1072366582 /nfs/dbraw/zinc/36/65/82/1072366582.db2.gz ORRVPBUXSWTKCJ-WOJGMQOQSA-N 0 0 543.423 6.024 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 ZINC000409331809 1072366607 /nfs/dbraw/zinc/36/66/07/1072366607.db2.gz OBLBTNKYVGILDM-UUYOSTAYSA-N 0 0 539.547 5.718 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409331686 1072367304 /nfs/dbraw/zinc/36/73/04/1072367304.db2.gz OIZHSNYJCOZFLY-CFRMEGHHSA-N 0 0 574.949 7.794 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)cc1 ZINC000409331715 1072367834 /nfs/dbraw/zinc/36/78/34/1072367834.db2.gz OPUGYMOIHYLIHO-XKZIYDEJSA-N 0 0 621.372 7.214 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409331710 1072367882 /nfs/dbraw/zinc/36/78/82/1072367882.db2.gz OOIOZIPUGODEIA-UKWGHVSLSA-N 0 0 664.655 9.157 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409331531 1072368486 /nfs/dbraw/zinc/36/84/86/1072368486.db2.gz OLKSNDBAPYJFEA-CIAFOILYSA-N 0 0 527.421 6.342 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409331563 1072368757 /nfs/dbraw/zinc/36/87/57/1072368757.db2.gz ONELUDCCVREXKX-QQXSKIMKSA-N 0 0 621.534 7.894 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409330950 1072373348 /nfs/dbraw/zinc/37/33/48/1072373348.db2.gz NPLNEASZNLITTO-PXNMLYILSA-N 0 0 566.269 6.411 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000409331234 1072370722 /nfs/dbraw/zinc/37/07/22/1072370722.db2.gz MWNZALRJVTZOHM-RPPGKUMJSA-N 0 0 540.150 7.621 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409330700 1072375385 /nfs/dbraw/zinc/37/53/85/1072375385.db2.gz LDCAGFXEDRLFPX-NVMNQCDNSA-N 0 0 528.435 5.358 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409329961 1072381514 /nfs/dbraw/zinc/38/15/14/1072381514.db2.gz IKPQVVWLCNINKG-DICXZTSXSA-N 0 0 566.531 8.530 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000409330578 1072376701 /nfs/dbraw/zinc/37/67/01/1072376701.db2.gz KUZMHCXXFZAUSS-KVSWJAHQSA-N 0 0 576.828 7.002 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Br)cc1 ZINC000409330331 1072377252 /nfs/dbraw/zinc/37/72/52/1072377252.db2.gz KUMBIUPQULHCSW-VCHYOVAHSA-N 0 0 521.801 6.677 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000409330299 1072378973 /nfs/dbraw/zinc/37/89/73/1072378973.db2.gz KTJRVQOLHFLHOY-SSDVNMTOSA-N 0 0 658.366 7.600 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409330248 1072378986 /nfs/dbraw/zinc/37/89/86/1072378986.db2.gz KJPUAFUXWFBMMP-BUVRLJJBSA-N 0 0 522.604 5.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409330242 1072379002 /nfs/dbraw/zinc/37/90/02/1072379002.db2.gz KIKLCOWJVOSVQS-CIAFOILYSA-N 0 0 607.910 6.375 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409330243 1072379127 /nfs/dbraw/zinc/37/91/27/1072379127.db2.gz KEGGCBIZUTYZCQ-FYJGNVAPSA-N 0 0 512.996 6.242 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409330125 1072379990 /nfs/dbraw/zinc/37/99/90/1072379990.db2.gz JAGSVQYBORNRFP-HAHDFKILSA-N 0 0 506.605 5.127 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409330150 1072380421 /nfs/dbraw/zinc/38/04/21/1072380421.db2.gz JOUGJKLMCSGMCH-MFKUBSTISA-N 0 0 597.556 6.888 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1C ZINC000409330152 1072380552 /nfs/dbraw/zinc/38/05/52/1072380552.db2.gz JPVMBGLSVHBZDB-WSDLNYQXSA-N 0 0 607.364 7.952 40 10 KKCBRN O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409329959 1072381003 /nfs/dbraw/zinc/38/10/03/1072381003.db2.gz IKNZIYMQARIBOU-JMIUGGIZSA-N 0 0 562.862 7.927 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409329785 1072382569 /nfs/dbraw/zinc/38/25/69/1072382569.db2.gz IGOBQBLYHGEVKJ-UCQKPKSFSA-N 0 0 510.568 6.117 40 10 KKCBRN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1C ZINC000409329786 1072382612 /nfs/dbraw/zinc/38/26/12/1072382612.db2.gz IGYWPIKGRNIHAX-FMCGGJTJSA-N 0 0 571.493 6.628 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c(C)c1 ZINC000409329875 1072383044 /nfs/dbraw/zinc/38/30/44/1072383044.db2.gz IDMJHRSRPPEJEP-UCQKPKSFSA-N 0 0 510.478 7.051 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409329616 1072383421 /nfs/dbraw/zinc/38/34/21/1072383421.db2.gz GIRCXBYSIQYSLH-FMCGGJTJSA-N 0 0 537.575 6.327 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409329728 1072383937 /nfs/dbraw/zinc/38/39/37/1072383937.db2.gz HTJMGQBSANCIJN-ZVBGSRNCSA-N 0 0 546.504 6.540 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)c1 ZINC000409329518 1072384877 /nfs/dbraw/zinc/38/48/77/1072384877.db2.gz FABCGXDJIGHOTQ-MTJSOVHGSA-N 0 0 669.347 7.189 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1Cl ZINC000409329557 1072384884 /nfs/dbraw/zinc/38/48/84/1072384884.db2.gz FWMHECFRIUJLKD-AUEPDCJTSA-N 0 0 566.915 7.649 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409329336 1072385220 /nfs/dbraw/zinc/38/52/20/1072385220.db2.gz DVVKGWZPSOCUOW-OYKKKHCWSA-N 0 0 585.685 5.151 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409329558 1072385331 /nfs/dbraw/zinc/38/53/31/1072385331.db2.gz FWVGMKBUIKYTDI-XKZIYDEJSA-N 0 0 544.467 6.890 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409329353 1072385727 /nfs/dbraw/zinc/38/57/27/1072385727.db2.gz FIGOVNDNTQUDLK-OEAKJJBVSA-N 0 0 508.596 5.566 40 10 KKCBRN Cc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409329378 1072385735 /nfs/dbraw/zinc/38/57/35/1072385735.db2.gz FCPBEMQWWQKKBM-ZVHZXABRSA-N 0 0 508.590 7.672 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409329412 1072386072 /nfs/dbraw/zinc/38/60/72/1072386072.db2.gz FLFMVDBOWHFCKI-LPYMAVHISA-N 0 0 523.548 6.100 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409329437 1072386103 /nfs/dbraw/zinc/38/61/03/1072386103.db2.gz FOVHNYBTJMNEAV-MSXFZWOLSA-N 0 0 542.488 7.199 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(OCc2ccccc2)c1 ZINC000409329414 1072386190 /nfs/dbraw/zinc/38/61/90/1072386190.db2.gz FLMASSGWWXHDPX-PKAZHMFMSA-N 0 0 502.705 7.134 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409329171 1072386237 /nfs/dbraw/zinc/38/62/37/1072386237.db2.gz DJBDORHJHVJDTM-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409329036 1072387570 /nfs/dbraw/zinc/38/75/70/1072387570.db2.gz CBASFZQPZVZOML-PJQLUOCWSA-N 0 0 623.231 5.039 40 10 KKCBRN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC ZINC000409329024 1072387649 /nfs/dbraw/zinc/38/76/49/1072387649.db2.gz CHAIJTRXBJAILL-UNOMPAQXSA-N 0 0 524.527 6.764 40 10 KKCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409329117 1072387946 /nfs/dbraw/zinc/38/79/46/1072387946.db2.gz CTODJEAHOVEPDJ-OYKKKHCWSA-N 0 0 523.079 6.887 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409329087 1072387994 /nfs/dbraw/zinc/38/79/94/1072387994.db2.gz CQFZAIGSCLZMIC-NHDPSOOVSA-N 0 0 581.340 7.749 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409328973 1072389461 /nfs/dbraw/zinc/38/94/61/1072389461.db2.gz BGYZQDMXGLQYKY-HZHRSRAPSA-N 0 0 587.504 6.983 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000409328992 1072389507 /nfs/dbraw/zinc/38/95/07/1072389507.db2.gz BWLUGOPHCDPTEY-MYYYXRDXSA-N 0 0 505.064 7.066 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409328828 1072390461 /nfs/dbraw/zinc/39/04/61/1072390461.db2.gz BBHITOINWGOKDB-GIJQJNRQSA-N 0 0 545.694 8.075 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)SC2=S)cc1 ZINC000409328452 1072392201 /nfs/dbraw/zinc/39/22/01/1072392201.db2.gz VQFLFRKFWWQYAG-ONUIUJJFSA-N 0 0 526.639 5.974 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409328540 1072392857 /nfs/dbraw/zinc/39/28/57/1072392857.db2.gz XGITVGQHNYQVNP-WGOQTCKBSA-N 0 0 610.157 6.426 40 10 KKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409328296 1072393245 /nfs/dbraw/zinc/39/32/45/1072393245.db2.gz ROEJYCZUTNZUFC-RQZCQDPDSA-N 0 0 502.377 6.661 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1F ZINC000409328549 1072393328 /nfs/dbraw/zinc/39/33/28/1072393328.db2.gz XKZJABOHZHQGLM-QQXSKIMKSA-N 0 0 501.604 6.972 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409328384 1072393645 /nfs/dbraw/zinc/39/36/45/1072393645.db2.gz UCDRPPYMPYKJSZ-LPYMAVHISA-N 0 0 514.093 7.055 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409328175 1072394718 /nfs/dbraw/zinc/39/47/18/1072394718.db2.gz PQZJHRAXUPIPFY-WSDLNYQXSA-N 0 0 532.470 6.995 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCC(=O)OC ZINC000409327935 1072397376 /nfs/dbraw/zinc/39/73/76/1072397376.db2.gz NSFBFANSHYEBBC-IUXPMGMMSA-N 0 0 624.305 5.954 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409327758 1072398335 /nfs/dbraw/zinc/39/83/35/1072398335.db2.gz MLKGJQZUNQOYCM-FSJBWODESA-N 0 0 715.418 7.131 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409327794 1072398779 /nfs/dbraw/zinc/39/87/79/1072398779.db2.gz NCRXWDKOBFLYKF-WGOQTCKBSA-N 0 0 609.510 7.438 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409327789 1072398819 /nfs/dbraw/zinc/39/88/19/1072398819.db2.gz MZXVVDHIIPXUDQ-MXAYSNPKSA-N 0 0 597.118 6.518 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1C1CCCCC1 ZINC000409327616 1072399556 /nfs/dbraw/zinc/39/95/56/1072399556.db2.gz LQEKLWCAUSEPFY-JAIQZWGSSA-N 0 0 587.439 7.702 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)SC2=S)cc1 ZINC000409327328 1072402392 /nfs/dbraw/zinc/40/23/92/1072402392.db2.gz JDNSHQSPVYCGMY-PCLIKHOPSA-N 0 0 536.631 6.377 40 10 KKCBRN CCCN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409327325 1072402402 /nfs/dbraw/zinc/40/24/02/1072402402.db2.gz JDGHJQOFKIBNES-MFOYZWKCSA-N 0 0 547.374 6.780 40 10 KKCBRN COc1cc(OC)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Br ZINC000409108540 1072405187 /nfs/dbraw/zinc/40/51/87/1072405187.db2.gz WQUMDNQJIIJVON-WSDLNYQXSA-N 0 0 573.465 6.264 40 10 KKCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409346985 1072410074 /nfs/dbraw/zinc/41/00/74/1072410074.db2.gz PFKRRABKWKQLSL-BOPFTXTBSA-N 0 0 511.406 5.100 40 10 KKCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)cc2)cc1 ZINC000409346949 1072412945 /nfs/dbraw/zinc/41/29/45/1072412945.db2.gz OXJDFASSMSMVRI-LPYMAVHISA-N 0 0 512.008 5.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409346683 1072412950 /nfs/dbraw/zinc/41/29/50/1072412950.db2.gz KYSCRQMJIVDBRB-UUYOSTAYSA-N 0 0 642.367 7.982 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409346667 1072412956 /nfs/dbraw/zinc/41/29/56/1072412956.db2.gz OCNYNMVPPNLDDD-UCQKPKSFSA-N 0 0 621.949 7.637 40 10 KKCBRN O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409346736 1072413502 /nfs/dbraw/zinc/41/35/02/1072413502.db2.gz OEEBCFNGQJUIOR-WQRHYEAKSA-N 0 0 520.817 6.207 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409346571 1072414473 /nfs/dbraw/zinc/41/44/73/1072414473.db2.gz KNWYDZBJVKVVCJ-WSDLNYQXSA-N 0 0 562.457 7.111 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409346662 1072415063 /nfs/dbraw/zinc/41/50/63/1072415063.db2.gz NIQMOISYZUKLAM-OYKKKHCWSA-N 0 0 572.521 7.589 40 10 KKCBRN O=C1/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000409346386 1072415071 /nfs/dbraw/zinc/41/50/71/1072415071.db2.gz KDBVMZGUJWTMBC-UDWIEESQSA-N 0 0 502.495 6.812 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1 ZINC000409123324 1072416311 /nfs/dbraw/zinc/41/63/11/1072416311.db2.gz FOYRPWVLFGNSAN-OOAXWGSJSA-N 0 0 516.663 6.720 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1 ZINC000409346171 1072418063 /nfs/dbraw/zinc/41/80/63/1072418063.db2.gz MUOSHHJYLIUDBB-JLPGSUDCSA-N 0 0 520.632 5.517 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409346224 1072418613 /nfs/dbraw/zinc/41/86/13/1072418613.db2.gz NSALISDISFAWMS-NHDPSOOVSA-N 0 0 561.866 6.996 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409122893 1072418987 /nfs/dbraw/zinc/41/89/87/1072418987.db2.gz CFWVGSKYRQTMOX-USHMODERSA-N 0 0 518.654 7.396 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1Cl ZINC000409345872 1072420707 /nfs/dbraw/zinc/42/07/07/1072420707.db2.gz MLSNBXYFENMSSC-FBHDLOMBSA-N 0 0 523.001 7.181 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409345658 1072421164 /nfs/dbraw/zinc/42/11/64/1072421164.db2.gz JYCPABIYOGSRQF-JAIQZWGSSA-N 0 0 527.511 5.849 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409345907 1072421198 /nfs/dbraw/zinc/42/11/98/1072421198.db2.gz MRZQIORUVAZFHC-OEAKJJBVSA-N 0 0 535.603 5.335 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409345733 1072422220 /nfs/dbraw/zinc/42/22/20/1072422220.db2.gz JHKDFEDCSOBYDL-MTDXEUNCSA-N 0 0 527.667 7.232 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409345517 1072422641 /nfs/dbraw/zinc/42/26/41/1072422641.db2.gz JBXXUCWUDPQCSQ-YDZHTSKRSA-N 0 0 508.596 5.566 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000409345383 1072424295 /nfs/dbraw/zinc/42/42/95/1072424295.db2.gz LPOGWNLRHWKONP-MYYYXRDXSA-N 0 0 510.080 7.340 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409345344 1072426314 /nfs/dbraw/zinc/42/63/14/1072426314.db2.gz LNXUBNPXBGGZHC-UUYOSTAYSA-N 0 0 563.495 6.479 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1Cl ZINC000409345349 1072426327 /nfs/dbraw/zinc/42/63/27/1072426327.db2.gz LGTWZVPATZLVIA-MYYYXRDXSA-N 0 0 505.064 7.066 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409345069 1072426382 /nfs/dbraw/zinc/42/63/82/1072426382.db2.gz KBDRVIHJPUOJAJ-PKAZHMFMSA-N 0 0 546.714 6.940 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000409344549 1072431106 /nfs/dbraw/zinc/43/11/06/1072431106.db2.gz JTCBXASYIWUFJF-LPYMAVHISA-N 0 0 557.447 6.351 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409344390 1072432809 /nfs/dbraw/zinc/43/28/09/1072432809.db2.gz JHEPADITJRAYRN-BUVRLJJBSA-N 0 0 522.623 5.956 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409344463 1072433357 /nfs/dbraw/zinc/43/33/57/1072433357.db2.gz JHPFIFJEOOJPFD-ONUIUJJFSA-N 0 0 582.585 8.114 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1OCc1ccccc1F ZINC000409344464 1072433391 /nfs/dbraw/zinc/43/33/91/1072433391.db2.gz JKIVSPDNQWONOS-PKAZHMFMSA-N 0 0 515.631 7.362 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409344248 1072433817 /nfs/dbraw/zinc/43/38/17/1072433817.db2.gz IKDFQKBRSUVGAF-MSXFZWOLSA-N 0 0 509.483 7.711 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409344328 1072434471 /nfs/dbraw/zinc/43/44/71/1072434471.db2.gz IZMQLAMMMPMBJT-CIAFOILYSA-N 0 0 535.996 7.352 40 10 KKCBRN Cc1ccccc1N1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S ZINC000409343885 1072438386 /nfs/dbraw/zinc/43/83/86/1072438386.db2.gz DSHNIQQLSUGWNG-WGOQTCKBSA-N 0 0 502.060 7.786 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c(C)c1 ZINC000409343500 1072440059 /nfs/dbraw/zinc/44/00/59/1072440059.db2.gz HVAOFUGALMZTNT-YDZHTSKRSA-N 0 0 555.475 6.959 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409343587 1072440790 /nfs/dbraw/zinc/44/07/90/1072440790.db2.gz HMDUQDUPZWJSRI-SRZZPIQSSA-N 0 0 625.791 7.858 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409343554 1072440811 /nfs/dbraw/zinc/44/08/11/1072440811.db2.gz HRIGGBOYACNQFL-ZVBGSRNCSA-N 0 0 622.862 7.126 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409343365 1072441144 /nfs/dbraw/zinc/44/11/44/1072441144.db2.gz HANNCDNFKCWAKK-XKZIYDEJSA-N 0 0 560.922 7.404 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409343326 1072441262 /nfs/dbraw/zinc/44/12/62/1072441262.db2.gz GQLFCKJKQKYSAF-YSMPRRRNSA-N 0 0 536.049 7.626 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409343439 1072441780 /nfs/dbraw/zinc/44/17/80/1072441780.db2.gz HCZBZPIMXOFILO-MSXFZWOLSA-N 0 0 509.580 5.938 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1 ZINC000409343407 1072441835 /nfs/dbraw/zinc/44/18/35/1072441835.db2.gz HHARKSSMSIDQCW-SRZZPIQSSA-N 0 0 654.442 6.723 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000409343432 1072441871 /nfs/dbraw/zinc/44/18/71/1072441871.db2.gz HKBPPGOSGAHXIH-HYARGMPZSA-N 0 0 542.476 6.451 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409343425 1072441880 /nfs/dbraw/zinc/44/18/80/1072441880.db2.gz HANCRAINNBHBCV-ZVHZXABRSA-N 0 0 549.630 5.725 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409343451 1072442466 /nfs/dbraw/zinc/44/24/66/1072442466.db2.gz GWNMTAWAVHJXIO-YSMPRRRNSA-N 0 0 550.677 6.771 40 10 KKCBRN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1cccc(Cl)c1 ZINC000409342938 1072445405 /nfs/dbraw/zinc/44/54/05/1072445405.db2.gz CAZPDCDOEASQRC-JMIUGGIZSA-N 0 0 689.765 7.534 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000409342791 1072446552 /nfs/dbraw/zinc/44/65/52/1072446552.db2.gz FLLTZELOQNNEFS-FSJBWODESA-N 0 0 575.495 6.136 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409342486 1072448649 /nfs/dbraw/zinc/44/86/49/1072448649.db2.gz FJMSBZDLGRHLNQ-MYYYXRDXSA-N 0 0 550.727 6.539 40 10 KKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)c(OC)c2)SC1=S ZINC000409342188 1072450285 /nfs/dbraw/zinc/45/02/85/1072450285.db2.gz AKXJRHKRDUGCRY-AFUMVMLFSA-N 0 0 613.555 6.506 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(Cc5ccco5)C4=O)c3C)cc2)cc1 ZINC000409126727 1072450962 /nfs/dbraw/zinc/45/09/62/1072450962.db2.gz FRIYHVSJVJIWRG-QQXSKIMKSA-N 0 0 516.644 6.889 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409341997 1072451505 /nfs/dbraw/zinc/45/15/05/1072451505.db2.gz CQHSQFBGNXGAFM-WSDLNYQXSA-N 0 0 639.989 7.660 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409342038 1072451974 /nfs/dbraw/zinc/45/19/74/1072451974.db2.gz DLKIETPMFGULJH-FMCGGJTJSA-N 0 0 561.468 7.285 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)cc1C ZINC000409341875 1072452614 /nfs/dbraw/zinc/45/26/14/1072452614.db2.gz AJRRODASOXRFTA-SSDVNMTOSA-N 0 0 609.445 8.191 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409341880 1072453863 /nfs/dbraw/zinc/45/38/63/1072453863.db2.gz AKDPOEOZASYARI-MFKUBSTISA-N 0 0 639.980 7.390 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409341950 1072454549 /nfs/dbraw/zinc/45/45/49/1072454549.db2.gz ARCLYFWFRHBYNW-WGARJPEWSA-N 0 0 601.577 7.939 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000409341844 1072455436 /nfs/dbraw/zinc/45/54/36/1072455436.db2.gz AGLRLAWFKGXYKC-HYARGMPZSA-N 0 0 539.476 6.181 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OCC ZINC000409341524 1072457723 /nfs/dbraw/zinc/45/77/23/1072457723.db2.gz BLGTZEQADJOQCG-RQZCQDPDSA-N 0 0 533.296 6.959 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409341275 1072458700 /nfs/dbraw/zinc/45/87/00/1072458700.db2.gz ARDAGMPZNGHSQR-BKUYFWCQSA-N 0 0 552.943 7.224 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000409341252 1072461040 /nfs/dbraw/zinc/46/10/40/1072461040.db2.gz AKTHQAQETWDPEL-IWIPYMOSSA-N 0 0 582.103 5.475 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409341241 1072461047 /nfs/dbraw/zinc/46/10/47/1072461047.db2.gz AIQZGXFDHWXSPO-OEAKJJBVSA-N 0 0 541.050 5.781 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1ccco1 ZINC000409125166 1072462940 /nfs/dbraw/zinc/46/29/40/1072462940.db2.gz JIIREFXCGFIMQR-YVNNLAQVSA-N 0 0 543.895 7.100 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409340395 1072465765 /nfs/dbraw/zinc/46/57/65/1072465765.db2.gz WLKQHCVXWYPXFX-UCQKPKSFSA-N 0 0 573.477 6.593 40 10 KKCBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409340486 1072466949 /nfs/dbraw/zinc/46/69/49/1072466949.db2.gz XYOYTMLGDAQHNU-UUASQNMZSA-N 0 0 568.139 6.928 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)cc1 ZINC000409340274 1072467348 /nfs/dbraw/zinc/46/73/48/1072467348.db2.gz TYRBURAQHKPVRW-LPYMAVHISA-N 0 0 545.564 6.878 40 10 KKCBRN O=C1/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC(=S)N1c1cccc2ccccc21 ZINC000409340341 1072467964 /nfs/dbraw/zinc/46/79/64/1072467964.db2.gz VMNFQBYVMLOOCS-CFRMEGHHSA-N 0 0 631.451 8.727 40 10 KKCBRN O=C1/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409340331 1072468009 /nfs/dbraw/zinc/46/80/09/1072468009.db2.gz VHUYHMOLBJXDOR-UKWGHVSLSA-N 0 0 648.200 8.642 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 ZINC000409340367 1072468489 /nfs/dbraw/zinc/46/84/89/1072468489.db2.gz VVWDDCNFHMAVCJ-BUVRLJJBSA-N 0 0 520.632 5.137 40 10 KKCBRN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409340188 1072469172 /nfs/dbraw/zinc/46/91/72/1072469172.db2.gz RXLQRVPUJREZOW-RZNTYIFUSA-N 0 0 648.112 6.617 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409340001 1072470130 /nfs/dbraw/zinc/47/01/30/1072470130.db2.gz OJNAJQXFYDXHMK-LHHJGKSTSA-N 0 0 598.563 7.042 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1 ZINC000409340067 1072470671 /nfs/dbraw/zinc/47/06/71/1072470671.db2.gz PYMCBLTZNFMEEJ-OYKKKHCWSA-N 0 0 544.614 5.153 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000409340093 1072471307 /nfs/dbraw/zinc/47/13/07/1072471307.db2.gz QIDBUSWJUOTUHL-LPYMAVHISA-N 0 0 591.467 6.732 40 10 KKCBRN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000409339823 1072471321 /nfs/dbraw/zinc/47/13/21/1072471321.db2.gz ZCQBMJHAFBSXPF-OCKHKDLRSA-N 0 0 521.502 5.297 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409339882 1072471830 /nfs/dbraw/zinc/47/18/30/1072471830.db2.gz MJUAHTJPAFKMNY-WSDLNYQXSA-N 0 0 686.818 8.091 40 10 KKCBRN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409339722 1072472862 /nfs/dbraw/zinc/47/28/62/1072472862.db2.gz LFPSAQVGINQDIH-AWQFTUOYSA-N 0 0 592.836 7.117 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409137231 1072473069 /nfs/dbraw/zinc/47/30/69/1072473069.db2.gz VYWVVWSTLWFZQB-ONUIUJJFSA-N 0 0 634.495 6.822 40 10 KKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409339789 1072473573 /nfs/dbraw/zinc/47/35/73/1072473573.db2.gz YLUCGJZZAGHTDP-ODLFYWEKSA-N 0 0 512.878 6.696 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409137108 1072474104 /nfs/dbraw/zinc/47/41/04/1072474104.db2.gz UARRKXHVSSUQCJ-USHMODERSA-N 0 0 544.677 6.662 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409339550 1072474252 /nfs/dbraw/zinc/47/42/52/1072474252.db2.gz WBIODZOBJFMPNZ-ZVHZXABRSA-N 0 0 546.497 7.386 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409339367 1072475264 /nfs/dbraw/zinc/47/52/64/1072475264.db2.gz HWCSQFCAFKZRRF-FBHDLOMBSA-N 0 0 662.785 8.245 40 10 KKCBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409339648 1072475354 /nfs/dbraw/zinc/47/53/54/1072475354.db2.gz KANREGMLPODYSI-WOJGMQOQSA-N 0 0 522.442 5.114 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409339453 1072475796 /nfs/dbraw/zinc/47/57/96/1072475796.db2.gz IGONPNREORFYJX-XYGWBWBKSA-N 0 0 531.058 6.618 40 10 KKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409339496 1072476329 /nfs/dbraw/zinc/47/63/29/1072476329.db2.gz JCICUMRLWHOEBY-OGLMXYFKSA-N 0 0 508.643 7.696 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1 ZINC000409339233 1072477114 /nfs/dbraw/zinc/47/71/14/1072477114.db2.gz FXZOUSWMSGMVDD-OYKKKHCWSA-N 0 0 586.669 5.484 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339319 1072477517 /nfs/dbraw/zinc/47/75/17/1072477517.db2.gz TZYJCIYKTOVHFK-UFFVCSGVSA-N 0 0 596.311 7.649 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000409136514 1072478548 /nfs/dbraw/zinc/47/85/48/1072478548.db2.gz XATMRHMBQHGQAC-UUYOSTAYSA-N 0 0 505.621 5.108 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409339184 1072479123 /nfs/dbraw/zinc/47/91/23/1072479123.db2.gz SOYIYYHOJGKVAQ-JJFYIABZSA-N 0 0 565.341 8.049 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 ZINC000409136203 1072479829 /nfs/dbraw/zinc/47/98/29/1072479829.db2.gz XSTUZUYNZAAQFD-VYYCAZPPSA-N 0 0 607.551 6.655 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409339006 1072479818 /nfs/dbraw/zinc/47/98/18/1072479818.db2.gz DBLNNGFKQPAKLK-BKUYFWCQSA-N 0 0 597.394 7.333 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409339024 1072480355 /nfs/dbraw/zinc/48/03/55/1072480355.db2.gz DJGALJNWGOWAOG-LPYMAVHISA-N 0 0 686.818 8.091 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409136025 1072480792 /nfs/dbraw/zinc/48/07/92/1072480792.db2.gz VYDNJPRDRKMRBH-ROTLSHHCSA-N 0 0 583.960 7.516 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409339071 1072480874 /nfs/dbraw/zinc/48/08/74/1072480874.db2.gz RNCLAQJKLYIERS-KSEXSDGBSA-N 0 0 534.461 7.516 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409136011 1072480879 /nfs/dbraw/zinc/48/08/79/1072480879.db2.gz XIZOBWHVXYUKSR-USHMODERSA-N 0 0 555.681 7.433 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409338844 1072481320 /nfs/dbraw/zinc/48/13/20/1072481320.db2.gz PIMLIBWKXGGEGS-QQXSKIMKSA-N 0 0 657.982 8.481 40 10 KKCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409338883 1072481344 /nfs/dbraw/zinc/48/13/44/1072481344.db2.gz QDYUKTZZIYMQGJ-VCHYOVAHSA-N 0 0 524.483 5.519 40 10 KKCBRN O=C(Cn1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409338639 1072481865 /nfs/dbraw/zinc/48/18/65/1072481865.db2.gz NJRBJPUBTUAAKI-BHGWPJFGSA-N 0 0 558.597 5.323 40 10 KKCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c2C)cc1 ZINC000409135433 1072484267 /nfs/dbraw/zinc/48/42/67/1072484267.db2.gz QSGDICVNWQTAGU-IWIPYMOSSA-N 0 0 505.665 5.847 40 10 KKCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1 ZINC000409338613 1072484785 /nfs/dbraw/zinc/48/47/85/1072484785.db2.gz MZBJTEOVXSVIJX-XDHOZWIPSA-N 0 0 515.410 5.264 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338595 1072484798 /nfs/dbraw/zinc/48/47/98/1072484798.db2.gz MSGBZNNDYLKOGP-XKZIYDEJSA-N 0 0 594.474 7.851 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409338345 1072484801 /nfs/dbraw/zinc/48/48/01/1072484801.db2.gz IFGRPLQOENQCMH-BUVRLJJBSA-N 0 0 650.991 7.394 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)cc2OC)cc1 ZINC000409338358 1072484810 /nfs/dbraw/zinc/48/48/10/1072484810.db2.gz IKDSLWWTKKXKBF-VYYCAZPPSA-N 0 0 605.782 5.724 40 10 KKCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409135169 1072486728 /nfs/dbraw/zinc/48/67/28/1072486728.db2.gz VJNVYPLDAPVNIF-ZMOGYAJESA-N 0 0 531.461 6.663 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409338287 1072487609 /nfs/dbraw/zinc/48/76/09/1072487609.db2.gz HIOLKYNSSCJUTM-ZMOGYAJESA-N 0 0 574.602 7.827 40 10 KKCBRN O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)SC(=S)N1c1cccc2ccccc21 ZINC000409338100 1072488205 /nfs/dbraw/zinc/48/82/05/1072488205.db2.gz DARWVDIEDBEVKV-CEUNXORHSA-N 0 0 503.648 7.978 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338125 1072488270 /nfs/dbraw/zinc/48/82/70/1072488270.db2.gz DNIRBUQXCPGDPG-HZHRSRAPSA-N 0 0 540.504 7.141 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409134921 1072489445 /nfs/dbraw/zinc/48/94/45/1072489445.db2.gz OPXMEDUHYOUQMN-XYGWBWBKSA-N 0 0 539.564 7.791 40 10 KKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409337999 1072489877 /nfs/dbraw/zinc/48/98/77/1072489877.db2.gz BBQIEACHWSFRNE-MXAYSNPKSA-N 0 0 510.124 7.612 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409338001 1072489899 /nfs/dbraw/zinc/48/98/99/1072489899.db2.gz BBXGYZCAUFTEJA-WGOQTCKBSA-N 0 0 591.711 5.274 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409338004 1072489952 /nfs/dbraw/zinc/48/99/52/1072489952.db2.gz BDBYQWMKHXJVPC-FYJGNVAPSA-N 0 0 636.920 6.078 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409337991 1072490006 /nfs/dbraw/zinc/49/00/06/1072490006.db2.gz AVUBHJYITHYXPG-RMORIDSASA-N 0 0 585.361 8.684 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409338036 1072490414 /nfs/dbraw/zinc/49/04/14/1072490414.db2.gz BWNMFTMIFODBJY-UCQKPKSFSA-N 0 0 537.575 5.887 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc(OC)cc5)cc4)c3C)SC2=S)cc1 ZINC000409134553 1072491058 /nfs/dbraw/zinc/49/10/58/1072491058.db2.gz WDDBXXFJUWQCKM-MIXAMLLLSA-N 0 0 556.709 7.305 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409134521 1072492740 /nfs/dbraw/zinc/49/27/40/1072492740.db2.gz RYBTZCYLPDQZOB-HAHDFKILSA-N 0 0 511.510 6.609 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1C[C@@H]1CCCO1 ZINC000409133284 1072500175 /nfs/dbraw/zinc/50/01/75/1072500175.db2.gz RXKIYGBGVHEDKY-NVIPHDJISA-N 0 0 561.498 6.002 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC(=S)N1C[C@H]1CCCO1 ZINC000409133285 1072500343 /nfs/dbraw/zinc/50/03/43/1072500343.db2.gz RXKIYGBGVHEDKY-OMMIQNFISA-N 0 0 561.498 6.002 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409132910 1072502907 /nfs/dbraw/zinc/50/29/07/1072502907.db2.gz KYKLIBCEJLAYPO-HMAPJEAMSA-N 0 0 503.531 6.947 40 10 KKCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3cc(Br)ccc32)CC1 ZINC000409131755 1072506832 /nfs/dbraw/zinc/50/68/32/1072506832.db2.gz JIKUEJSWOFQBLR-SNINMWPCSA-N 0 0 562.555 5.043 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409131821 1072507223 /nfs/dbraw/zinc/50/72/23/1072507223.db2.gz OYKPNFDGCUVIBA-RMORIDSASA-N 0 0 554.922 6.902 40 10 KKCBRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409355391 1072510220 /nfs/dbraw/zinc/51/02/20/1072510220.db2.gz BTDAXKQFOBRBEZ-NHUHIXEOSA-N 0 0 562.099 6.742 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409131089 1072511562 /nfs/dbraw/zinc/51/15/62/1072511562.db2.gz JQALKMWSFSPEDC-PKAZHMFMSA-N 0 0 531.653 6.956 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409130226 1072516052 /nfs/dbraw/zinc/51/60/52/1072516052.db2.gz IUXODVXATJCGEB-CFRMEGHHSA-N 0 0 572.912 6.588 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC1=S ZINC000409129873 1072516893 /nfs/dbraw/zinc/51/68/93/1072516893.db2.gz VIJVAXGDGXVLGL-NKVSQWTQSA-N 0 0 531.453 5.433 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NCCCOC)c21 ZINC000409129711 1072517876 /nfs/dbraw/zinc/51/78/76/1072517876.db2.gz WBVIFDONKMZYTB-KQWNVCNZSA-N 0 0 513.729 5.138 40 10 KKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409129660 1072519102 /nfs/dbraw/zinc/51/91/02/1072519102.db2.gz VPLXIOCUWQMNOA-QRQIAZFYSA-N 0 0 554.697 7.033 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409129686 1072519185 /nfs/dbraw/zinc/51/91/85/1072519185.db2.gz VXXNZXVTQQGKHD-UUYOSTAYSA-N 0 0 534.545 5.550 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409129343 1072520481 /nfs/dbraw/zinc/52/04/81/1072520481.db2.gz GEHGQQJEJRSATH-ULJHMMPZSA-N 0 0 503.693 6.012 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409129058 1072522489 /nfs/dbraw/zinc/52/24/89/1072522489.db2.gz QNJWAZNFEGOADV-UUYOSTAYSA-N 0 0 557.853 6.090 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)S1)c1ccccc1 ZINC000409128781 1072524294 /nfs/dbraw/zinc/52/42/94/1072524294.db2.gz UHLXOLSFNPBPTC-NHDPSOOVSA-N 0 0 562.272 6.735 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409352966 1072524361 /nfs/dbraw/zinc/52/43/61/1072524361.db2.gz ZTNWSPBHKIHWDD-OEAKJJBVSA-N 0 0 574.493 6.980 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409352855 1072525187 /nfs/dbraw/zinc/52/51/87/1072525187.db2.gz YZFLBOXNTHTFCI-STZFKDTASA-N 0 0 565.498 6.413 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000409352735 1072526620 /nfs/dbraw/zinc/52/66/20/1072526620.db2.gz YJEFCVMADNDFIH-OVVQPSECSA-N 0 0 517.720 6.584 40 10 KKCBRN O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409352756 1072526633 /nfs/dbraw/zinc/52/66/33/1072526633.db2.gz YMWXOGJWIJYAPO-SRZZPIQSSA-N 0 0 534.859 7.226 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409352650 1072527898 /nfs/dbraw/zinc/52/78/98/1072527898.db2.gz XQTUISCVBALFGK-OYKKKHCWSA-N 0 0 588.976 8.103 40 10 KKCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 ZINC000409127940 1072528693 /nfs/dbraw/zinc/52/86/93/1072528693.db2.gz DCKUBOCHHAZQPY-SNINMWPCSA-N 0 0 556.507 5.105 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409352105 1072529492 /nfs/dbraw/zinc/52/94/92/1072529492.db2.gz WHIKMFGVUCDHET-RMORIDSASA-N 0 0 547.891 8.195 40 10 KKCBRN O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1Cc1cccnc1 ZINC000409127760 1072529570 /nfs/dbraw/zinc/52/95/70/1072529570.db2.gz RIAVCOHNPBKSBM-OYKKKHCWSA-N 0 0 506.052 6.170 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409352154 1072529898 /nfs/dbraw/zinc/52/98/98/1072529898.db2.gz WLCKSZSWSOWBJU-YDZHTSKRSA-N 0 0 619.599 6.359 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409352022 1072530917 /nfs/dbraw/zinc/53/09/17/1072530917.db2.gz VPHZJEJLCKONMH-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409351503 1072533769 /nfs/dbraw/zinc/53/37/69/1072533769.db2.gz UQOPAIMVXYTXIK-CIAFOILYSA-N 0 0 607.910 6.375 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409351598 1072534566 /nfs/dbraw/zinc/53/45/66/1072534566.db2.gz VFXZDOZJKHOPNX-MYYYXRDXSA-N 0 0 520.632 6.595 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409351340 1072535059 /nfs/dbraw/zinc/53/50/59/1072535059.db2.gz UBZOXHCBZSHKFG-MFKUBSTISA-N 0 0 550.727 6.539 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)cc1 ZINC000409351427 1072535866 /nfs/dbraw/zinc/53/58/66/1072535866.db2.gz UHSLLNOAEKUZIM-QFEZKATASA-N 0 0 539.509 7.801 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC1=S ZINC000409351110 1072538507 /nfs/dbraw/zinc/53/85/07/1072538507.db2.gz ZNIUQCUIRWODHC-YVLHZVERSA-N 0 0 621.303 6.086 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409351121 1072538661 /nfs/dbraw/zinc/53/86/61/1072538661.db2.gz ZMHNDKUJHSNQJJ-ZVBGSRNCSA-N 0 0 585.759 8.394 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409351156 1072539003 /nfs/dbraw/zinc/53/90/03/1072539003.db2.gz ZTAPOLMOOFEEMR-UKWGHVSLSA-N 0 0 578.411 7.017 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409143614 1072539704 /nfs/dbraw/zinc/53/97/04/1072539704.db2.gz CYNIWZDHWPNVGT-ONUIUJJFSA-N 0 0 531.475 7.289 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409143490 1072540718 /nfs/dbraw/zinc/54/07/18/1072540718.db2.gz GVBDKWACQPMXPB-YDZHTSKRSA-N 0 0 652.419 7.588 40 10 KKCBRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409143521 1072540854 /nfs/dbraw/zinc/54/08/54/1072540854.db2.gz CILGRMJVJZIUTA-MIXAMLLLSA-N 0 0 512.675 7.369 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1Cl ZINC000409350632 1072541317 /nfs/dbraw/zinc/54/13/17/1072541317.db2.gz YRJQGRYNQICQFF-MSXFZWOLSA-N 0 0 536.034 6.666 40 10 KKCBRN O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1 ZINC000409350479 1072542167 /nfs/dbraw/zinc/54/21/67/1072542167.db2.gz RRDJZOKUXGNTLL-XDHOZWIPSA-N 0 0 500.399 5.613 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409350496 1072542293 /nfs/dbraw/zinc/54/22/93/1072542293.db2.gz XWJWSYYPQXOUAF-MTJSOVHGSA-N 0 0 523.548 6.018 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000409143077 1072543653 /nfs/dbraw/zinc/54/36/53/1072543653.db2.gz MSYYSDCXMZVQGL-HMAPJEAMSA-N 0 0 523.408 5.437 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1Cl ZINC000409350461 1072544484 /nfs/dbraw/zinc/54/44/84/1072544484.db2.gz YIXVGZUMNBNNCW-WSDLNYQXSA-N 0 0 502.444 6.987 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409350283 1072545007 /nfs/dbraw/zinc/54/50/07/1072545007.db2.gz XIDYULFYYJVHMS-FMCGGJTJSA-N 0 0 668.418 7.288 40 10 KKCBRN COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S ZINC000409142816 1072545795 /nfs/dbraw/zinc/54/57/95/1072545795.db2.gz CLSPODSXLQSTIN-GOSISDBHSA-N 0 0 500.867 5.099 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409142790 1072545827 /nfs/dbraw/zinc/54/58/27/1072545827.db2.gz DKDRMGAGABLZEN-AUEPDCJTSA-N 0 0 537.663 5.920 40 10 KKCBRN COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 ZINC000409142815 1072545852 /nfs/dbraw/zinc/54/58/52/1072545852.db2.gz BMEKJDQRUJQCEE-MYYYXRDXSA-N 0 0 501.633 5.525 40 10 KKCBRN COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S ZINC000409142818 1072545862 /nfs/dbraw/zinc/54/58/62/1072545862.db2.gz CLSPODSXLQSTIN-SFHVURJKSA-N 0 0 500.867 5.099 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)SC1=S ZINC000409350113 1072545886 /nfs/dbraw/zinc/54/58/86/1072545886.db2.gz XHYCYZYJOHBGFA-UNOMPAQXSA-N 0 0 537.457 5.946 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409349759 1072547170 /nfs/dbraw/zinc/54/71/70/1072547170.db2.gz WCGVULKMWCQLHR-YDZHTSKRSA-N 0 0 602.521 5.956 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409349619 1072548027 /nfs/dbraw/zinc/54/80/27/1072548027.db2.gz QDQVPJPPTRVDFU-NDENLUEZSA-N 0 0 515.569 5.838 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409142380 1072548623 /nfs/dbraw/zinc/54/86/23/1072548623.db2.gz CTLFMRZOMFCBAK-SRZZPIQSSA-N 0 0 570.992 5.803 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349567 1072549696 /nfs/dbraw/zinc/54/96/96/1072549696.db2.gz VJQCCYVHEFGPDL-YDZHTSKRSA-N 0 0 560.575 7.519 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409142066 1072550122 /nfs/dbraw/zinc/55/01/22/1072550122.db2.gz AWAJYBULSNUARY-RWPZCVJISA-N 0 0 554.737 6.868 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1O ZINC000409349266 1072551549 /nfs/dbraw/zinc/55/15/49/1072551549.db2.gz VHYWNOUQESHDJJ-VIZOYTHASA-N 0 0 596.693 6.217 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)cc1 ZINC000409349284 1072552126 /nfs/dbraw/zinc/55/21/26/1072552126.db2.gz VHVJLIVXUSAMQO-LPYMAVHISA-N 0 0 639.818 8.249 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409349074 1072552450 /nfs/dbraw/zinc/55/24/50/1072552450.db2.gz UUWJLFOUIQWJKZ-UUYOSTAYSA-N 0 0 516.471 7.295 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)SC1=S ZINC000409348759 1072554163 /nfs/dbraw/zinc/55/41/63/1072554163.db2.gz PIFMOYIHAZYFJU-JAIQZWGSSA-N 0 0 535.485 5.313 40 10 KKCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409141147 1072554464 /nfs/dbraw/zinc/55/44/64/1072554464.db2.gz HQQLFTOBCIVGJZ-HMAPJEAMSA-N 0 0 602.425 5.808 40 10 KKCBRN O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)S1)c1ccccc1 ZINC000409141353 1072554487 /nfs/dbraw/zinc/55/44/87/1072554487.db2.gz HTNSTUQJWQAAJZ-NDENLUEZSA-N 0 0 517.821 6.626 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409348580 1072555184 /nfs/dbraw/zinc/55/51/84/1072555184.db2.gz OXRYXCQKSXNYQN-NDENLUEZSA-N 0 0 558.435 5.746 40 10 KKCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Cl ZINC000409348615 1072555573 /nfs/dbraw/zinc/55/55/73/1072555573.db2.gz NTKUFKUHCIXWMM-APSNUPSMSA-N 0 0 581.724 6.757 40 10 KKCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000409140886 1072556851 /nfs/dbraw/zinc/55/68/51/1072556851.db2.gz GNBZTFLVYVDYBR-BKUYFWCQSA-N 0 0 541.398 5.576 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409348283 1072556974 /nfs/dbraw/zinc/55/69/74/1072556974.db2.gz SHPLUYRANHKEON-ROTLSHHCSA-N 0 0 551.755 6.945 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409140542 1072558100 /nfs/dbraw/zinc/55/81/00/1072558100.db2.gz ITLRXUKLVHXDHU-SRZZPIQSSA-N 0 0 585.469 6.723 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000409140277 1072560049 /nfs/dbraw/zinc/56/00/49/1072560049.db2.gz QXKXCUATEPPFTF-ONUIUJJFSA-N 0 0 582.589 6.137 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409348115 1072559985 /nfs/dbraw/zinc/55/99/85/1072559985.db2.gz RHLAMKZLPKHBKI-LPYMAVHISA-N 0 0 595.367 8.139 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(OCc2ccccc2)c1 ZINC000409348117 1072560142 /nfs/dbraw/zinc/56/01/42/1072560142.db2.gz RHYGVJILHOPPAP-AFUMVMLFSA-N 0 0 587.992 7.934 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409347703 1072561084 /nfs/dbraw/zinc/56/10/84/1072561084.db2.gz MOEYGWJZKSRXDC-FSJBWODESA-N 0 0 534.461 7.516 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409347745 1072561396 /nfs/dbraw/zinc/56/13/96/1072561396.db2.gz QVZGABIVHFTTCS-AUEPDCJTSA-N 0 0 590.557 6.939 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409347593 1072562339 /nfs/dbraw/zinc/56/23/39/1072562339.db2.gz MTTOUMVZYIZDNA-LSHDLFTRSA-N 0 0 590.904 6.825 40 10 KKCBRN O=C1/C(=C\c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc2ccccc21 ZINC000409347492 1072563795 /nfs/dbraw/zinc/56/37/95/1072563795.db2.gz MKSZWJDGTQTPJK-VUTHCHCSSA-N 0 0 503.648 7.978 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409139722 1072563987 /nfs/dbraw/zinc/56/39/87/1072563987.db2.gz DTPAJFWIXOZSEO-WYMPLXKRSA-N 0 0 539.122 6.368 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1Cl ZINC000409347528 1072564242 /nfs/dbraw/zinc/56/42/42/1072564242.db2.gz QDRUCLIZBDQDFF-YDZHTSKRSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409139578 1072564397 /nfs/dbraw/zinc/56/43/97/1072564397.db2.gz BMEPHDXIFRJGMA-MYYYXRDXSA-N 0 0 517.448 7.559 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1C ZINC000409347356 1072564751 /nfs/dbraw/zinc/56/47/51/1072564751.db2.gz PONGTRVPYBWUON-DHRITJCHSA-N 0 0 507.055 7.505 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409347364 1072564763 /nfs/dbraw/zinc/56/47/63/1072564763.db2.gz PTNMWYGVGPFXQI-XKZIYDEJSA-N 0 0 502.444 6.987 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409139258 1072565763 /nfs/dbraw/zinc/56/57/63/1072565763.db2.gz BAUHODCIHYBUBS-AUEPDCJTSA-N 0 0 603.644 6.855 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409139154 1072566614 /nfs/dbraw/zinc/56/66/14/1072566614.db2.gz AKRFXFVQHRNDGW-SRZZPIQSSA-N 0 0 507.881 7.127 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409138951 1072567001 /nfs/dbraw/zinc/56/70/01/1072567001.db2.gz KIXZZTMVCJDPLK-UQQQWYQISA-N 0 0 523.768 6.434 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409138015 1072573419 /nfs/dbraw/zinc/57/34/19/1072573419.db2.gz YFGZRZOWPYNALK-KUOTXRDYSA-N 0 0 511.713 5.033 40 10 KKCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409137831 1072573813 /nfs/dbraw/zinc/57/38/13/1072573813.db2.gz YFPNIZUCICGFMB-QRAWFLTRSA-N 0 0 527.509 6.390 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409147219 1072577535 /nfs/dbraw/zinc/57/75/35/1072577535.db2.gz WVJWEJKICJZDMW-LGJNPRDNSA-N 0 0 591.755 5.470 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409147217 1072577552 /nfs/dbraw/zinc/57/75/52/1072577552.db2.gz WXTZFRFNXDCHJS-LPYMAVHISA-N 0 0 573.921 6.536 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409147229 1072577648 /nfs/dbraw/zinc/57/76/48/1072577648.db2.gz XCHICJPJMCKPLF-BRJLIKDPSA-N 0 0 617.620 7.420 40 10 KKCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000409147195 1072577661 /nfs/dbraw/zinc/57/76/61/1072577661.db2.gz WSCZWPLUIGTBKL-JOCHJYFZSA-N 0 0 506.451 6.683 40 10 KKCBRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C ZINC000409365488 1072579218 /nfs/dbraw/zinc/57/92/18/1072579218.db2.gz ZXBLEWDCDKIZAQ-JFQMDFOHSA-N 0 0 610.571 7.785 40 10 KKCBRN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC ZINC000409146599 1072580990 /nfs/dbraw/zinc/58/09/90/1072580990.db2.gz UWPNQAMKDSXHOB-NHDPSOOVSA-N 0 0 626.582 5.928 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CCOc4ccccc4Cl)c4ccc(Br)cc34)SC2=S)cc1 ZINC000409146104 1072583291 /nfs/dbraw/zinc/58/32/91/1072583291.db2.gz JIFUAZIVPAVGCG-WGARJPEWSA-N 0 0 613.986 7.546 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000409364354 1072584080 /nfs/dbraw/zinc/58/40/80/1072584080.db2.gz PFHKDWXPKPTAGD-UHFFFAOYSA-N 0 0 569.976 6.080 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)c(Cl)c1 ZINC000409145796 1072585144 /nfs/dbraw/zinc/58/51/44/1072585144.db2.gz PVZFIIZMXIRFDP-UUYOSTAYSA-N 0 0 591.911 6.675 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409145523 1072586451 /nfs/dbraw/zinc/58/64/51/1072586451.db2.gz OETQMTIGAQUAOO-SRZZPIQSSA-N 0 0 670.807 7.438 40 10 KKCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409145619 1072587507 /nfs/dbraw/zinc/58/75/07/1072587507.db2.gz IYQSBPHBKSDDOW-GRSHGNNSSA-N 0 0 501.427 5.373 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145036 1072590591 /nfs/dbraw/zinc/59/05/91/1072590591.db2.gz MNSRSBZQAPGATD-BHGWPJFGSA-N 0 0 573.567 7.021 40 10 KKCBRN CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409362682 1072593485 /nfs/dbraw/zinc/59/34/85/1072593485.db2.gz SHIALWYYIKTQAL-KLTBVTQRSA-N 0 0 555.708 6.880 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409362079 1072596698 /nfs/dbraw/zinc/59/66/98/1072596698.db2.gz FLFRIDILGOBYHD-UHFFFAOYSA-N 0 0 535.531 5.427 40 10 KKCBRN O=C(COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000409361230 1072602334 /nfs/dbraw/zinc/60/23/34/1072602334.db2.gz BENVPSOOURXQPR-UHFFFAOYSA-N 0 0 569.976 6.080 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409154767 1072604014 /nfs/dbraw/zinc/60/40/14/1072604014.db2.gz KVKPEVTWIQGKRU-ANSQWYIGSA-N 0 0 579.749 9.132 40 10 KKCBRN COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409154040 1072608830 /nfs/dbraw/zinc/60/88/30/1072608830.db2.gz JQFLCIJDANHWJL-RPPIVITFSA-N 0 0 565.722 8.823 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409153559 1072610851 /nfs/dbraw/zinc/61/08/51/1072610851.db2.gz DGENPCCPXZQEGZ-JFLMPSFJSA-N 0 0 631.711 5.750 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409153031 1072614776 /nfs/dbraw/zinc/61/47/76/1072614776.db2.gz KNUFDWDYVRYXRG-DXMSMQRWSA-N 0 0 633.719 9.842 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152283 1072619717 /nfs/dbraw/zinc/61/97/17/1072619717.db2.gz JOYIXKQUPHVCJZ-DFIYOIEZSA-N 0 0 564.829 8.535 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409152002 1072621397 /nfs/dbraw/zinc/62/13/97/1072621397.db2.gz IZPCSZAXQROVPJ-LGJNPRDNSA-N 0 0 663.421 7.856 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409152014 1072621482 /nfs/dbraw/zinc/62/14/82/1072621482.db2.gz IPMXIAOMIPVLFT-MVYHEMRASA-N 0 0 590.301 8.387 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409149963 1072632587 /nfs/dbraw/zinc/63/25/87/1072632587.db2.gz WPLUTOJGHFIULF-KIBLKLHPSA-N 0 0 658.596 6.394 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)SC1=S ZINC000409375401 1072632755 /nfs/dbraw/zinc/63/27/55/1072632755.db2.gz KIGFBPIDWODTLH-YVLHZVERSA-N 0 0 529.396 5.239 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409149738 1072632993 /nfs/dbraw/zinc/63/29/93/1072632993.db2.gz PBIALNCYUYSADV-AUEPDCJTSA-N 0 0 595.121 6.663 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409149724 1072633006 /nfs/dbraw/zinc/63/30/06/1072633006.db2.gz OQBQXTXKNFZIRG-VYYCAZPPSA-N 0 0 605.782 5.860 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409149668 1072635181 /nfs/dbraw/zinc/63/51/81/1072635181.db2.gz MSECROIFXOSDQR-LGJNPRDNSA-N 0 0 583.175 6.767 40 10 KKCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409149366 1072637224 /nfs/dbraw/zinc/63/72/24/1072637224.db2.gz CZLXXPXONZYHRG-WGOQTCKBSA-N 0 0 545.085 6.927 40 10 KKCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c5ccccc54)c3C)SC2=S)cc1 ZINC000409149096 1072638809 /nfs/dbraw/zinc/63/88/09/1072638809.db2.gz XHMIJXXGAZBCEF-YSMPRRRNSA-N 0 0 563.542 7.420 40 10 KKCBRN CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409148963 1072639888 /nfs/dbraw/zinc/63/98/88/1072639888.db2.gz VCWOVDPCXCQHAS-USHMODERSA-N 0 0 534.747 7.289 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409148331 1072643371 /nfs/dbraw/zinc/64/33/71/1072643371.db2.gz YORJDGQQYRRWDD-CFRMEGHHSA-N 0 0 504.080 6.702 40 10 KKCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000409148087 1072645292 /nfs/dbraw/zinc/64/52/92/1072645292.db2.gz XFQPUBPUGLTMJD-QRVIBDJDSA-N 0 0 504.681 5.059 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409147900 1072646334 /nfs/dbraw/zinc/64/63/34/1072646334.db2.gz WJCBELZUKFBQHL-UUYOSTAYSA-N 0 0 556.457 6.288 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409371963 1072647137 /nfs/dbraw/zinc/64/71/37/1072647137.db2.gz NGNJCWCOWWGPFP-YDZHTSKRSA-N 0 0 574.511 6.909 40 10 KKCBRN COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409372011 1072647735 /nfs/dbraw/zinc/64/77/35/1072647735.db2.gz NNPBRJONCLAWSS-APSNUPSMSA-N 0 0 668.318 5.096 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409371528 1072648632 /nfs/dbraw/zinc/64/86/32/1072648632.db2.gz GUYYQOPWXVJORO-VULFUBBASA-N 0 0 610.544 7.672 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409370657 1072652885 /nfs/dbraw/zinc/65/28/85/1072652885.db2.gz ABKHPBCFGVAQHC-FMCGGJTJSA-N 0 0 592.501 7.048 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409165235 1072655477 /nfs/dbraw/zinc/65/54/77/1072655477.db2.gz VBSMTPCZVQWVBB-UAVUOLJFSA-N 0 0 600.167 9.477 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409369796 1072656918 /nfs/dbraw/zinc/65/69/18/1072656918.db2.gz YBILDDRLQYXJCN-NHDPSOOVSA-N 0 0 594.929 7.172 40 10 KKCBRN COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409164590 1072659610 /nfs/dbraw/zinc/65/96/10/1072659610.db2.gz KPLIDCSZNXABSC-SRGWNRLKSA-N 0 0 610.173 8.933 40 10 KKCBRN CC(C)n1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000409369058 1072660966 /nfs/dbraw/zinc/66/09/66/1072660966.db2.gz ZNTIFDFCTUXSSI-DJKKODMXSA-N 0 0 505.452 6.467 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000409369033 1072661062 /nfs/dbraw/zinc/66/10/62/1072661062.db2.gz YJNCOMXYPYGYHJ-YVLHZVERSA-N 0 0 556.905 7.329 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000409368592 1072663079 /nfs/dbraw/zinc/66/30/79/1072663079.db2.gz DEAMUAHMESIBJR-SRZZPIQSSA-N 0 0 564.903 7.164 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409368164 1072665980 /nfs/dbraw/zinc/66/59/80/1072665980.db2.gz NZRLLVLXLDGFQL-ZVBGSRNCSA-N 0 0 599.348 7.817 40 10 KKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409162985 1072667455 /nfs/dbraw/zinc/66/74/55/1072667455.db2.gz KIIZFDMKGYPYDU-LEHBWIKQSA-N 0 0 606.300 8.087 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409367909 1072667726 /nfs/dbraw/zinc/66/77/26/1072667726.db2.gz NQQLGMVPULXBKL-UFFVCSGVSA-N 0 0 643.799 7.926 40 10 KKCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409367971 1072668254 /nfs/dbraw/zinc/66/82/54/1072668254.db2.gz KMWISJCZQPCVLR-JMIUGGIZSA-N 0 0 563.444 6.716 40 10 KKCBRN COc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409162588 1072668430 /nfs/dbraw/zinc/66/84/30/1072668430.db2.gz XLPGBFOITCQZHW-SANMLTNESA-N 0 0 500.645 5.794 40 10 KKCBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409367675 1072669912 /nfs/dbraw/zinc/66/99/12/1072669912.db2.gz DGNGNPXLXLSRCF-VCHYOVAHSA-N 0 0 512.440 5.729 40 10 KKCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000409367510 1072671158 /nfs/dbraw/zinc/67/11/58/1072671158.db2.gz CMTAGOUXHVXHFR-SRZZPIQSSA-N 0 0 548.448 6.649 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3cccc4ccccc43)cc2Br)SC1=S ZINC000409378742 1072674568 /nfs/dbraw/zinc/67/45/68/1072674568.db2.gz RBERAYKUCWLWBP-UUYOSTAYSA-N 0 0 514.466 6.411 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409161290 1072677673 /nfs/dbraw/zinc/67/76/73/1072677673.db2.gz MMXBSRSYAXOSHH-MBTHVWNTSA-N 0 0 554.737 6.868 40 10 KKCBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1Cl ZINC000409160602 1072682414 /nfs/dbraw/zinc/68/24/14/1072682414.db2.gz UTMFITNZWRVGEA-FYJGNVAPSA-N 0 0 516.019 5.038 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409159967 1072685039 /nfs/dbraw/zinc/68/50/39/1072685039.db2.gz DAZRCOVGQZWRDJ-BHGWPJFGSA-N 0 0 618.018 7.130 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409158785 1072691541 /nfs/dbraw/zinc/69/15/41/1072691541.db2.gz LSKMDJOWFOTHOE-JJFYIABZSA-N 0 0 514.434 6.384 40 10 KKCBRN COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166889 1072701972 /nfs/dbraw/zinc/70/19/72/1072701972.db2.gz GBTFXWYRSYAPBH-HEHLMWRFSA-N 0 0 538.485 8.530 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409166710 1072702382 /nfs/dbraw/zinc/70/23/82/1072702382.db2.gz GDNXIWNHAJJMLD-KKMKTNMSSA-N 0 0 677.006 7.534 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409383429 1072702915 /nfs/dbraw/zinc/70/29/15/1072702915.db2.gz UXOAXZMAUMXRTE-QRVIBDJDSA-N 0 0 528.493 6.801 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409166737 1072702886 /nfs/dbraw/zinc/70/28/86/1072702886.db2.gz FSMOQXSXTKPDKV-SRGWNRLKSA-N 0 0 628.163 9.072 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409382634 1072705573 /nfs/dbraw/zinc/70/55/73/1072705573.db2.gz VXNCXPGMWGGLNX-UWVJOHFNSA-N 0 0 547.323 6.955 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409177231 1072706416 /nfs/dbraw/zinc/70/64/16/1072706416.db2.gz FCKOMHMPHIUXSQ-JJFYIABZSA-N 0 0 596.902 7.764 40 10 KKCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br ZINC000409176293 1072707687 /nfs/dbraw/zinc/70/76/87/1072707687.db2.gz JRJGIHXZCOPIQX-FRKPEAEDSA-N 0 0 516.797 5.199 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S)c1ccccc1 ZINC000409176870 1072708957 /nfs/dbraw/zinc/70/89/57/1072708957.db2.gz ZQOLDEIRYZUCRW-WOJGMQOQSA-N 0 0 530.381 5.164 40 10 KKCBRN O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409381715 1072709846 /nfs/dbraw/zinc/70/98/46/1072709846.db2.gz IXAXMXRKHHQEHO-UHFFFAOYSA-N 0 0 569.976 6.080 40 10 KKCBRN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409175279 1072716927 /nfs/dbraw/zinc/71/69/27/1072716927.db2.gz ZQNAXUGNUGQKIH-WOVHNISZSA-N 0 0 510.859 7.825 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409380411 1072717235 /nfs/dbraw/zinc/71/72/35/1072717235.db2.gz MLWLDUCQXFQJNZ-WQRHYEAKSA-N 0 0 523.430 5.556 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409175191 1072717940 /nfs/dbraw/zinc/71/79/40/1072717940.db2.gz XCBAXZVBALVOOB-AWQFTUOYSA-N 0 0 561.956 6.502 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409380161 1072719318 /nfs/dbraw/zinc/71/93/18/1072719318.db2.gz JJTAWWIXEAPIIF-WQRHYEAKSA-N 0 0 651.329 6.095 40 10 KKCBRN COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409172320 1072735325 /nfs/dbraw/zinc/73/53/25/1072735325.db2.gz CIVOZQOMINJIEB-RHGYRFJNSA-N 0 0 628.163 9.072 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)SC1=S ZINC000409387753 1072741866 /nfs/dbraw/zinc/74/18/66/1072741866.db2.gz QHHXKGVABPDKSY-YVLHZVERSA-N 0 0 621.303 6.004 40 10 KKCBRN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409171054 1072742400 /nfs/dbraw/zinc/74/24/00/1072742400.db2.gz XUPAXBLIBIYRCF-SRGWNRLKSA-N 0 0 576.274 8.078 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5cccc6ccccc65)cc4)c3C)C2=O)o1 ZINC000409400343 1072746205 /nfs/dbraw/zinc/74/62/05/1072746205.db2.gz OUEYOOVQSJOFRW-YKQZZPSBSA-N 0 0 575.621 6.299 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409399858 1072748210 /nfs/dbraw/zinc/74/82/10/1072748210.db2.gz OAWZZBVWEQJJQZ-ONUIUJJFSA-N 0 0 510.575 5.615 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(Br)cc4Br)c4ccccc34)C2=O)o1 ZINC000409398983 1072750987 /nfs/dbraw/zinc/75/09/87/1072750987.db2.gz GRFZBSMWXBVVMS-UUYOSTAYSA-N 0 0 627.289 5.996 40 10 KKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000409167529 1072759371 /nfs/dbraw/zinc/75/93/71/1072759371.db2.gz IZUNMKMQFQXLSY-OHUGHZGNSA-N 0 0 537.410 6.780 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000409186557 1072761624 /nfs/dbraw/zinc/76/16/24/1072761624.db2.gz DTBAUXFWAIJGHF-UHFFFAOYSA-N 0 0 648.376 7.539 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186080 1072763173 /nfs/dbraw/zinc/76/31/73/1072763173.db2.gz WHDLYIWXAQWGGJ-CZUMTRSGSA-N 0 0 660.623 7.785 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(O)cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186068 1072763289 /nfs/dbraw/zinc/76/32/89/1072763289.db2.gz WEGFFNGPUWNNMH-GGVRFBKHSA-N 0 0 705.574 6.096 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185931 1072765007 /nfs/dbraw/zinc/76/50/07/1072765007.db2.gz SSNAZMRTUHFCLD-ODCPUKCESA-N 0 0 686.628 6.860 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186009 1072765842 /nfs/dbraw/zinc/76/58/42/1072765842.db2.gz UYXYPDDSWBVFAC-ZONGHHKSSA-N 0 0 621.759 6.487 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185845 1072767146 /nfs/dbraw/zinc/76/71/46/1072767146.db2.gz RFKQQZRYAOKWDX-QUGDOHQQSA-N 0 0 797.690 8.403 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185854 1072767244 /nfs/dbraw/zinc/76/72/44/1072767244.db2.gz RJSAKTZMPZBKQF-RJGCVNEISA-N 0 0 801.192 10.018 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185906 1072768097 /nfs/dbraw/zinc/76/80/97/1072768097.db2.gz SJJHIBLUNBYEDF-VDTFJSILSA-N 0 0 591.733 6.479 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccco2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185658 1072768545 /nfs/dbraw/zinc/76/85/45/1072768545.db2.gz OFYTWDPNAVYCHT-YJSHLOSGSA-N 0 0 537.641 5.673 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185674 1072768575 /nfs/dbraw/zinc/76/85/75/1072768575.db2.gz OLIKGEUXHFBUHQ-IRKIBWNTSA-N 0 0 821.750 8.728 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185683 1072768582 /nfs/dbraw/zinc/76/85/82/1072768582.db2.gz OOWIIADPQJBEHV-DPJPYKTPSA-N 0 0 582.125 6.733 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185541 1072769818 /nfs/dbraw/zinc/76/98/18/1072769818.db2.gz MGMYNEUXPPWEIC-DGWBYFALSA-N 0 0 855.649 9.583 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185489 1072769828 /nfs/dbraw/zinc/76/98/28/1072769828.db2.gz LYCIXSAGWUGEBN-BPFYGDKKSA-N 0 0 727.626 8.555 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185772 1072769853 /nfs/dbraw/zinc/76/98/53/1072769853.db2.gz PVQFWLXCVVQEIS-MLWVTIFLSA-N 0 0 837.780 8.971 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)ccc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185581 1072770264 /nfs/dbraw/zinc/77/02/64/1072770264.db2.gz MVLCNCKVIYRYGI-LPNHJGGPSA-N 0 0 598.124 6.439 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185367 1072770651 /nfs/dbraw/zinc/77/06/51/1072770651.db2.gz KWPMZKCMJMNWQG-CMSNYSJNSA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185416 1072771101 /nfs/dbraw/zinc/77/11/01/1072771101.db2.gz LGCNDQJUBUEWQG-QUGDOHQQSA-N 0 0 750.690 8.560 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2c(OC)ccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185399 1072771130 /nfs/dbraw/zinc/77/11/30/1072771130.db2.gz LCXCHSFTNKBZQQ-VWZWEBJQSA-N 0 0 627.766 7.242 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185425 1072771168 /nfs/dbraw/zinc/77/11/68/1072771168.db2.gz LJFTUUCPYFFDES-RNJLLQDTSA-N 0 0 746.727 8.730 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)ccc2OC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185407 1072771231 /nfs/dbraw/zinc/77/12/31/1072771231.db2.gz LDGWEAUIWXLMBX-YSBFKZQZSA-N 0 0 607.732 6.097 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185474 1072771713 /nfs/dbraw/zinc/77/17/13/1072771713.db2.gz LTFMLASWJPRZAG-PCQFMPIMSA-N 0 0 694.832 8.222 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185112 1072772676 /nfs/dbraw/zinc/77/26/76/1072772676.db2.gz JICYOLIWKCKMCE-KUPQLYFCSA-N 0 0 745.732 9.390 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184916 1072773202 /nfs/dbraw/zinc/77/32/02/1072773202.db2.gz YUMOFAXKNFNOME-QOMCFXTFSA-N 0 0 637.758 6.106 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409184934 1072773511 /nfs/dbraw/zinc/77/35/11/1072773511.db2.gz YYLFGZYAAONHLY-WOJGMQOQSA-N 0 0 530.990 5.006 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184948 1072773589 /nfs/dbraw/zinc/77/35/89/1072773589.db2.gz ZCDQUKGZPKVRDF-KGZYNADJSA-N 0 0 840.534 6.999 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184355 1072777597 /nfs/dbraw/zinc/77/75/97/1072777597.db2.gz GGAOJGTZWOKRBB-MDIMXAQTSA-N 0 0 767.145 9.075 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184188 1072778008 /nfs/dbraw/zinc/77/80/08/1072778008.db2.gz FNTKPSWZOLLIHA-FZLKQKSASA-N 0 0 715.847 8.197 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184198 1072778088 /nfs/dbraw/zinc/77/80/88/1072778088.db2.gz FOVYTFOUNFEMQS-XWRSLJBMSA-N 0 0 733.290 7.927 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184214 1072778123 /nfs/dbraw/zinc/77/81/23/1072778123.db2.gz FSBSJXJYBLWESN-DGWBYFALSA-N 0 0 766.747 9.364 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184209 1072778142 /nfs/dbraw/zinc/77/81/42/1072778142.db2.gz FPPRPTAPZGBMBI-RVOAGXMLSA-N 0 0 684.818 7.216 40 10 KKCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000409184074 1072779034 /nfs/dbraw/zinc/77/90/34/1072779034.db2.gz DYVCTEBUJQWTTM-JFLMPSFJSA-N 0 0 687.001 6.899 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OC)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184110 1072779036 /nfs/dbraw/zinc/77/90/36/1072779036.db2.gz FFZLHPGLJWEQMC-ZONGHHKSSA-N 0 0 621.759 6.487 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184130 1072779539 /nfs/dbraw/zinc/77/95/39/1072779539.db2.gz FIEZPRNUZOPTOM-JCADADRYSA-N 0 0 715.847 8.197 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2Br)ccc2ccccc21 ZINC000409401756 1072779711 /nfs/dbraw/zinc/77/97/11/1072779711.db2.gz ZSJKXTKLHBJKKZ-HAHDFKILSA-N 0 0 578.260 6.405 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000409401789 1072779801 /nfs/dbraw/zinc/77/98/01/1072779801.db2.gz ZZGATIUTDLDTIB-ODLFYWEKSA-N 0 0 528.746 5.051 40 10 KKCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc(Br)cc2Br)c(I)c1 ZINC000409401749 1072779819 /nfs/dbraw/zinc/77/98/19/1072779819.db2.gz ZORAVNUEEKXRPG-IUXPMGMMSA-N 0 0 779.992 6.461 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183737 1072780421 /nfs/dbraw/zinc/78/04/21/1072780421.db2.gz DGCHNVKRWCEFPX-VJJKPSKZSA-N 0 0 732.700 8.421 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183750 1072780744 /nfs/dbraw/zinc/78/07/44/1072780744.db2.gz SJZQJYGCGDOXAP-XAKAHBONSA-N 0 0 861.656 10.337 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183617 1072781666 /nfs/dbraw/zinc/78/16/66/1072781666.db2.gz COWDDVUJDPDTJM-JPXNXDTOSA-N 0 0 675.254 8.141 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(O)cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183717 1072782677 /nfs/dbraw/zinc/78/26/77/1072782677.db2.gz DDVHGWHEINYGTE-GGVRFBKHSA-N 0 0 658.574 6.254 40 10 KKCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409400873 1072783268 /nfs/dbraw/zinc/78/32/68/1072783268.db2.gz UTLFPOBUQKIJAV-PKAZHMFMSA-N 0 0 508.534 5.043 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183307 1072783467 /nfs/dbraw/zinc/78/34/67/1072783467.db2.gz RJYOOOOIKPEJRM-HVPHOBGISA-N 0 0 853.735 8.001 40 10 KKCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)C2=O)o1 ZINC000409400741 1072783792 /nfs/dbraw/zinc/78/37/92/1072783792.db2.gz QLHYXFALPOVIQK-XKZIYDEJSA-N 0 0 548.393 5.233 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183269 1072785737 /nfs/dbraw/zinc/78/57/37/1072785737.db2.gz RBLVKMZTOCQVDM-LOQAYXPVSA-N 0 0 672.763 7.556 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC)cc2OCC)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183276 1072785827 /nfs/dbraw/zinc/78/58/27/1072785827.db2.gz BCZMIOSXFNPNFF-OJBQBBGCSA-N 0 0 714.682 7.640 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183144 1072787157 /nfs/dbraw/zinc/78/71/57/1072787157.db2.gz QGSFPJPSYRDAOC-KGZYNADJSA-N 0 0 793.534 7.157 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409182983 1072787570 /nfs/dbraw/zinc/78/75/70/1072787570.db2.gz QJYWRETZZMICQZ-FSJBWODESA-N 0 0 543.041 6.219 40 10 KKCBRN O=C1/C(=C/c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409182719 1072788523 /nfs/dbraw/zinc/78/85/23/1072788523.db2.gz OHOAMPZWEGZBCR-QFEZKATASA-N 0 0 506.023 7.617 40 10 KKCBRN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1ccccc1 ZINC000409182774 1072788987 /nfs/dbraw/zinc/78/89/87/1072788987.db2.gz OEYCUUUZFNIWQE-RGVLZGJSSA-N 0 0 624.416 6.715 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182228 1072792442 /nfs/dbraw/zinc/79/24/42/1072792442.db2.gz JRSSXMNYJOYPIU-SEFAUGAOSA-N 0 0 793.971 9.547 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182068 1072792907 /nfs/dbraw/zinc/79/29/07/1072792907.db2.gz HXLIIMFWJLBATP-MQDOJECHSA-N 0 0 776.753 8.820 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181803 1072795571 /nfs/dbraw/zinc/79/55/71/1072795571.db2.gz FHBMFHFFRCLPSF-GXKDRIIESA-N 0 0 794.743 8.959 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181800 1072795620 /nfs/dbraw/zinc/79/56/20/1072795620.db2.gz FCYDCOLODXMYRQ-BITBMSFSSA-N 0 0 876.586 9.165 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181476 1072797408 /nfs/dbraw/zinc/79/74/08/1072797408.db2.gz BGDAVEPYYZBEAW-OOIBJXBFSA-N 0 0 714.638 6.394 40 10 KKCBRN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181499 1072797866 /nfs/dbraw/zinc/79/78/66/1072797866.db2.gz CCLZWUWWBBGRSN-QTRRDAAQSA-N 0 0 693.181 7.901 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1O ZINC000409180361 1072805453 /nfs/dbraw/zinc/80/54/53/1072805453.db2.gz RAJAWEWRVJUDNZ-VIZOYTHASA-N 0 0 535.787 5.594 40 10 KKCBRN O=C1/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178991 1072813256 /nfs/dbraw/zinc/81/32/56/1072813256.db2.gz MHTHYFQTNCAMDW-AWQFTUOYSA-N 0 0 707.755 7.673 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1 ZINC000409178225 1072817795 /nfs/dbraw/zinc/81/77/95/1072817795.db2.gz JVGMKIRRIKXJST-WSDLNYQXSA-N 0 0 513.015 6.211 40 10 KKCBRN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409197220 1072826631 /nfs/dbraw/zinc/82/66/31/1072826631.db2.gz ZAUCTDAWZMTHEP-KEBDBYFISA-N 0 0 658.206 8.098 40 10 KKCBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)ccc1Cl ZINC000409197098 1072827582 /nfs/dbraw/zinc/82/75/82/1072827582.db2.gz VTSMCXZNHVNYEP-CFRMEGHHSA-N 0 0 568.051 5.608 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OC ZINC000409197093 1072827614 /nfs/dbraw/zinc/82/76/14/1072827614.db2.gz VSJDQCWYDDHUIP-OVCLIPMQSA-N 0 0 562.248 5.477 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000409196741 1072828904 /nfs/dbraw/zinc/82/89/04/1072828904.db2.gz WYRIIWVTGOLFJE-VUTHCHCSSA-N 0 0 535.669 6.468 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409196793 1072829426 /nfs/dbraw/zinc/82/94/26/1072829426.db2.gz XVUIVPIVBZBDTD-OCSSWDANSA-N 0 0 669.631 6.930 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409196422 1072832711 /nfs/dbraw/zinc/83/27/11/1072832711.db2.gz UWWQEWAGFFGMNA-CIAFOILYSA-N 0 0 547.471 6.132 40 10 KKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000409195296 1072837167 /nfs/dbraw/zinc/83/71/67/1072837167.db2.gz HDJDRIOFUXNRNM-FOKLQQMPSA-N 0 0 512.487 6.952 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409195380 1072837682 /nfs/dbraw/zinc/83/76/82/1072837682.db2.gz PEOXWCHYNYLLET-VGOFMYFVSA-N 0 0 502.253 5.176 40 10 KKCBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409194774 1072841677 /nfs/dbraw/zinc/84/16/77/1072841677.db2.gz MDRLVLFJNVZDEQ-ZXVVBBHZSA-N 0 0 520.589 6.058 40 10 KKCBRN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000409194054 1072846952 /nfs/dbraw/zinc/84/69/52/1072846952.db2.gz KRSQVCXQWNSLIE-FMCGGJTJSA-N 0 0 523.452 6.997 40 10 KKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409193163 1072851733 /nfs/dbraw/zinc/85/17/33/1072851733.db2.gz DFGIFCRZLCACNK-KBKYJPHKSA-N 0 0 697.866 8.510 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206976 1072887869 /nfs/dbraw/zinc/88/78/69/1072887869.db2.gz RRZYACYIGVFNBC-JJFYIABZSA-N 0 0 523.548 5.496 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(OC)cc4)C3=O)o2)ccc1Cl ZINC000409205735 1072896611 /nfs/dbraw/zinc/89/66/11/1072896611.db2.gz FKGBDJDREQUGMJ-FYJGNVAPSA-N 0 0 543.022 5.332 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409205302 1072899342 /nfs/dbraw/zinc/89/93/42/1072899342.db2.gz BFXOFSXLALBFGL-WSDLNYQXSA-N 0 0 595.367 8.139 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000409204941 1072901058 /nfs/dbraw/zinc/90/10/58/1072901058.db2.gz DNURENLWFLBBCX-ZCTHSVRISA-N 0 0 526.686 8.402 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204986 1072901472 /nfs/dbraw/zinc/90/14/72/1072901472.db2.gz MTORYYMMQLSSEV-QRVIBDJDSA-N 0 0 664.974 6.695 40 10 KKCBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204975 1072901509 /nfs/dbraw/zinc/90/15/09/1072901509.db2.gz DWWSOABEZRMWRX-CIAFOILYSA-N 0 0 561.320 7.196 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409204821 1072902397 /nfs/dbraw/zinc/90/23/97/1072902397.db2.gz LEHCJNRSHYSPSX-MFKUBSTISA-N 0 0 579.541 7.146 40 10 KKCBRN O=C1/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204004 1072908014 /nfs/dbraw/zinc/90/80/14/1072908014.db2.gz BCPUOLRPINXZQL-KEBDBYFISA-N 0 0 581.391 7.574 40 10 KKCBRN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409203779 1072908538 /nfs/dbraw/zinc/90/85/38/1072908538.db2.gz ZFJDKIDVTYUFGL-YBFXNURJSA-N 0 0 501.383 6.332 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409203301 1072909944 /nfs/dbraw/zinc/90/99/44/1072909944.db2.gz WHHIYXUMYOXFRY-JAIQZWGSSA-N 0 0 534.806 6.593 40 10 KKCBRN CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl ZINC000409201945 1072916010 /nfs/dbraw/zinc/91/60/10/1072916010.db2.gz RISYNQIWMLRLDM-ITYLOYPMSA-N 0 0 585.081 7.142 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409201210 1072919167 /nfs/dbraw/zinc/91/91/67/1072919167.db2.gz OIBBBKNUKYBZEZ-UHFFFAOYSA-N 0 0 565.607 5.931 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)SC2=S)cc1 ZINC000409201024 1072919654 /nfs/dbraw/zinc/91/96/54/1072919654.db2.gz NDBVBKVDJUKLBU-HMAPJEAMSA-N 0 0 523.592 5.985 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409198473 1072930975 /nfs/dbraw/zinc/93/09/75/1072930975.db2.gz AZWKVINGNDQLDV-IWIPYMOSSA-N 0 0 521.664 5.367 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409197863 1072933654 /nfs/dbraw/zinc/93/36/54/1072933654.db2.gz QLSAYNFCGVEJQP-NHDPSOOVSA-N 0 0 591.486 5.839 40 10 KKCBRN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409197322 1072935536 /nfs/dbraw/zinc/93/55/36/1072935536.db2.gz BHERHISYZCDFMW-MKMNVTDBSA-N 0 0 564.118 6.389 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409208117 1072939034 /nfs/dbraw/zinc/93/90/34/1072939034.db2.gz AZVBHZORXPCHOX-AWQFTUOYSA-N 0 0 522.251 7.404 40 10 KKCBRN O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409207921 1072940378 /nfs/dbraw/zinc/94/03/78/1072940378.db2.gz CPSGANVSVOKTHW-ZDLGFXPLSA-N 0 0 500.350 7.678 40 10 KKCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000409207538 1072941392 /nfs/dbraw/zinc/94/13/92/1072941392.db2.gz WFSXBFYHJIWRJD-LPYMAVHISA-N 0 0 523.035 5.850 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409207569 1072941753 /nfs/dbraw/zinc/94/17/53/1072941753.db2.gz WSTMVNLUQYAYKB-WSDLNYQXSA-N 0 0 686.818 8.091 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409211995 1072960445 /nfs/dbraw/zinc/96/04/45/1072960445.db2.gz LDPZOOIMFQKTNP-JFLMPSFJSA-N 0 0 593.930 8.330 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409209505 1072968082 /nfs/dbraw/zinc/96/80/82/1072968082.db2.gz CALWKADGTRKPSU-CCVNUDIWSA-N 0 0 607.469 6.650 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409226957 1072971604 /nfs/dbraw/zinc/97/16/04/1072971604.db2.gz OCERDEKVKOQTBU-STBIYBPSSA-N 0 0 509.581 6.214 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409223315 1072987910 /nfs/dbraw/zinc/98/79/10/1072987910.db2.gz YVYQHUFSPIDENF-OYKKKHCWSA-N 0 0 587.550 7.432 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)SC2=S)c1 ZINC000409223327 1072988435 /nfs/dbraw/zinc/98/84/35/1072988435.db2.gz YYHMDVXTZSNFGX-UCQKPKSFSA-N 0 0 553.503 6.489 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1 ZINC000409222892 1072990129 /nfs/dbraw/zinc/99/01/29/1072990129.db2.gz YCDZDAXKEPVTFL-IWIPYMOSSA-N 0 0 567.530 6.743 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409222811 1072991324 /nfs/dbraw/zinc/99/13/24/1072991324.db2.gz XPGCFVWYVQKBTD-AOBKZXEFSA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409222568 1072991810 /nfs/dbraw/zinc/99/18/10/1072991810.db2.gz BZHCZXYEIBVXEX-OYKKKHCWSA-N 0 0 572.630 6.836 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409221688 1072998486 /nfs/dbraw/zinc/99/84/86/1072998486.db2.gz UVQDSKFWNNVRKT-XHFXOGKZSA-N 0 0 553.105 6.637 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409221381 1073000083 /nfs/dbraw/zinc/00/00/83/1073000083.db2.gz PNBDPNMDPLNSJN-IWIPYMOSSA-N 0 0 583.529 6.580 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220984 1073000861 /nfs/dbraw/zinc/00/08/61/1073000861.db2.gz IUQNVXBPWRIQRE-XYGWBWBKSA-N 0 0 567.132 7.033 40 10 KKCBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409217516 1073015384 /nfs/dbraw/zinc/01/53/84/1073015384.db2.gz PQWHGICEGVIOTH-ZVHZXABRSA-N 0 0 516.960 5.322 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409230119 1073016670 /nfs/dbraw/zinc/01/66/70/1073016670.db2.gz BOJBHFJMVMZSDX-XKZIYDEJSA-N 0 0 587.492 6.329 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409230099 1073016693 /nfs/dbraw/zinc/01/66/93/1073016693.db2.gz BKXFXBCDIVVQGO-YUMHPJSZSA-N 0 0 560.741 7.051 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1Cl ZINC000409229961 1073017542 /nfs/dbraw/zinc/01/75/42/1073017542.db2.gz WEGXPJFOHZWRNE-QRQIAZFYSA-N 0 0 587.122 7.864 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229967 1073017723 /nfs/dbraw/zinc/01/77/23/1073017723.db2.gz WGBIDRDPWXANMZ-HQOKVJKCSA-N 0 0 567.516 5.708 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409229778 1073017984 /nfs/dbraw/zinc/01/79/84/1073017984.db2.gz UYLNNSXBNVFCLX-FMCGGJTJSA-N 0 0 573.523 7.042 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409229766 1073018025 /nfs/dbraw/zinc/01/80/25/1073018025.db2.gz UTHLLODRQXGUCX-JJFYIABZSA-N 0 0 563.459 6.564 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)cc1 ZINC000409229814 1073018702 /nfs/dbraw/zinc/01/87/02/1073018702.db2.gz VIXIGTKARYPLJG-SSDVNMTOSA-N 0 0 558.429 5.679 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229583 1073019217 /nfs/dbraw/zinc/01/92/17/1073019217.db2.gz RLZJMDFOMCTAHY-ZKDCOOFMSA-N 0 0 587.550 7.290 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409229228 1073022692 /nfs/dbraw/zinc/02/26/92/1073022692.db2.gz LTJYVHRFTFHMFD-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409229044 1073023404 /nfs/dbraw/zinc/02/34/04/1073023404.db2.gz IWCFXBBXJOAFQW-QQXSKIMKSA-N 0 0 561.729 6.110 40 10 KKCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409228905 1073024248 /nfs/dbraw/zinc/02/42/48/1073024248.db2.gz GYIGVGOKKVPYBB-NLRVBDNBSA-N 0 0 550.684 6.380 40 10 KKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)SC1=S ZINC000409228795 1073025447 /nfs/dbraw/zinc/02/54/47/1073025447.db2.gz FJPXYJAYYBXVML-XMSCMFJESA-N 0 0 553.503 6.429 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409228830 1073025826 /nfs/dbraw/zinc/02/58/26/1073025826.db2.gz FSYRVBQTXVSSPC-MSXFZWOLSA-N 0 0 589.522 6.824 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409228454 1073027054 /nfs/dbraw/zinc/02/70/54/1073027054.db2.gz YXSOSUXBGWOCQB-XYGWBWBKSA-N 0 0 567.132 6.427 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2OCC)cc1 ZINC000409228338 1073028032 /nfs/dbraw/zinc/02/80/32/1073028032.db2.gz XODNNOZVOFWKRZ-DIBXZPPDSA-N 0 0 562.713 5.945 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409228303 1073028064 /nfs/dbraw/zinc/02/80/64/1073028064.db2.gz WZFCODBGNRLWTA-VYYCAZPPSA-N 0 0 576.696 5.850 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)SC1=S ZINC000409237147 1073034450 /nfs/dbraw/zinc/03/44/50/1073034450.db2.gz JPTQTPWLOMUMBM-BKUYFWCQSA-N 0 0 563.539 6.093 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409237160 1073034609 /nfs/dbraw/zinc/03/46/09/1073034609.db2.gz HTZVWWJMLMOKMV-BKUYFWCQSA-N 0 0 563.539 6.037 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000409235619 1073043265 /nfs/dbraw/zinc/04/32/65/1073043265.db2.gz CKNYZSNMUPSENU-YSMPRRRNSA-N 0 0 567.132 7.033 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)SC2=S)cc1Cl ZINC000409235026 1073046529 /nfs/dbraw/zinc/04/65/29/1073046529.db2.gz AAAXTICBRVVTCF-JJFYIABZSA-N 0 0 563.022 7.091 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409234905 1073047378 /nfs/dbraw/zinc/04/73/78/1073047378.db2.gz AJJWVPLYDMCTHR-YVLHZVERSA-N 0 0 588.876 5.192 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409234738 1073047833 /nfs/dbraw/zinc/04/78/33/1073047833.db2.gz XWUKAJDQKFVVBH-QRVIBDJDSA-N 0 0 558.603 6.446 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409234743 1073047982 /nfs/dbraw/zinc/04/79/82/1073047982.db2.gz MBUFDFXIEDOIIR-MTJSOVHGSA-N 0 0 563.459 6.564 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409234418 1073049669 /nfs/dbraw/zinc/04/96/69/1073049669.db2.gz ZWADVFKZSYWAIY-UCQKPKSFSA-N 0 0 573.523 6.988 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000409234473 1073050302 /nfs/dbraw/zinc/05/03/02/1073050302.db2.gz WZKDSOWNPKWGIU-MOSHPQCFSA-N 0 0 549.512 5.785 40 10 KKCBRN Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000409234526 1073050338 /nfs/dbraw/zinc/05/03/38/1073050338.db2.gz NLSWUJGXIRMXAQ-FMCGGJTJSA-N 0 0 557.524 7.342 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409234057 1073053072 /nfs/dbraw/zinc/05/30/72/1073053072.db2.gz YIFSJMXULCPFNH-XYGWBWBKSA-N 0 0 567.132 7.033 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409233747 1073054492 /nfs/dbraw/zinc/05/44/92/1073054492.db2.gz WOGYITOGRFDCIW-ZVBGSRNCSA-N 0 0 518.397 6.215 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409233595 1073054817 /nfs/dbraw/zinc/05/48/17/1073054817.db2.gz TTXYVQYDBHGLLZ-MTJSOVHGSA-N 0 0 563.459 6.564 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409233305 1073057030 /nfs/dbraw/zinc/05/70/30/1073057030.db2.gz FJKRLLALGPBDMS-YSMPRRRNSA-N 0 0 567.132 7.087 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)c1 ZINC000409232063 1073062326 /nfs/dbraw/zinc/06/23/26/1073062326.db2.gz NUAXZWZOZPGUMS-MSXFZWOLSA-N 0 0 555.077 6.089 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409231912 1073063133 /nfs/dbraw/zinc/06/31/33/1073063133.db2.gz FVUNYZPFXWAOKT-MXAYSNPKSA-N 0 0 553.105 6.697 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409231997 1073063541 /nfs/dbraw/zinc/06/35/41/1073063541.db2.gz MMZAQXIAEPOHGD-UCQKPKSFSA-N 0 0 588.538 6.491 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409231831 1073063930 /nfs/dbraw/zinc/06/39/30/1073063930.db2.gz MRSSJLJTDPEHRT-ROTLSHHCSA-N 0 0 587.550 7.432 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(CC)cc4)c(Cl)c3)SC2=S)cc1 ZINC000409231089 1073066686 /nfs/dbraw/zinc/06/66/86/1073066686.db2.gz BHUGOBJBODLPEE-XYGWBWBKSA-N 0 0 553.105 6.724 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)SC2=S)cc1 ZINC000409230253 1073070976 /nfs/dbraw/zinc/07/09/76/1073070976.db2.gz CTCMHZCBXARBAP-HAHDFKILSA-N 0 0 553.503 6.435 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)c(OCC)c3)SC2=S)cc1 ZINC000409230268 1073071367 /nfs/dbraw/zinc/07/13/67/1073071367.db2.gz BRIJCJZCVZLUNO-MYYYXRDXSA-N 0 0 569.104 6.561 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)SC2=S)cc1 ZINC000409247116 1073071640 /nfs/dbraw/zinc/07/16/40/1073071640.db2.gz GJEGTIOTBNTWKB-QRVIBDJDSA-N 0 0 577.049 7.345 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409246972 1073072654 /nfs/dbraw/zinc/07/26/54/1073072654.db2.gz ADAMOMBWFHNCAY-XYGWBWBKSA-N 0 0 548.686 6.134 40 10 KKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1 ZINC000409246514 1073075747 /nfs/dbraw/zinc/07/57/47/1073075747.db2.gz CDVZPTCVXDRIRP-HAHDFKILSA-N 0 0 557.619 6.195 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409246636 1073076478 /nfs/dbraw/zinc/07/64/78/1073076478.db2.gz JZCWQSBXQPKNKC-MTJSOVHGSA-N 0 0 579.914 7.079 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409246451 1073076874 /nfs/dbraw/zinc/07/68/74/1073076874.db2.gz IQBVGLXKYRLHSM-FMCGGJTJSA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409246438 1073076893 /nfs/dbraw/zinc/07/68/93/1073076893.db2.gz IJKMAVOFRCXHRE-VFOSSOBBSA-N 0 0 561.125 5.753 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409246071 1073080586 /nfs/dbraw/zinc/08/05/86/1073080586.db2.gz DMIAJSKVMFNFKQ-IMRQLAEWSA-N 0 0 556.640 7.041 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409245829 1073080671 /nfs/dbraw/zinc/08/06/71/1073080671.db2.gz ZNMONQFPCZFPAT-UCQKPKSFSA-N 0 0 573.523 7.124 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)cc1 ZINC000409245860 1073080880 /nfs/dbraw/zinc/08/08/80/1073080880.db2.gz ZZEBNLXQTQPORR-WSDLNYQXSA-N 0 0 587.439 5.382 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409245733 1073082496 /nfs/dbraw/zinc/08/24/96/1073082496.db2.gz YIVRTYHWHFDJAB-OYKKKHCWSA-N 0 0 583.529 6.498 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409245524 1073082865 /nfs/dbraw/zinc/08/28/65/1073082865.db2.gz VFGPCWREGUZGDI-MYKKPKGFSA-N 0 0 573.523 7.042 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409245211 1073084633 /nfs/dbraw/zinc/08/46/33/1073084633.db2.gz PASPUPWNNYUPBW-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)SC1=S ZINC000409245293 1073085000 /nfs/dbraw/zinc/08/50/00/1073085000.db2.gz QMEPXCHPRXKJPQ-ODLFYWEKSA-N 0 0 569.930 6.048 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)cc1C ZINC000409244728 1073087593 /nfs/dbraw/zinc/08/75/93/1073087593.db2.gz HZRFNVWYUARVSW-CEUNXORHSA-N 0 0 566.704 7.519 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)SC2=S)cc1 ZINC000409244438 1073089020 /nfs/dbraw/zinc/08/90/20/1073089020.db2.gz CQQYIVYTFPWQKX-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)SC1=S ZINC000409243906 1073090531 /nfs/dbraw/zinc/09/05/31/1073090531.db2.gz YVWHWOCUIZYTDN-BKUYFWCQSA-N 0 0 549.512 5.785 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Br)cc4C)c3)SC2=S)cc1C ZINC000409243727 1073092169 /nfs/dbraw/zinc/09/21/69/1073092169.db2.gz XWWONIYUKAUZCQ-OYKKKHCWSA-N 0 0 567.530 6.798 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409243386 1073092886 /nfs/dbraw/zinc/09/28/86/1073092886.db2.gz YFFAVRBLILIEOU-FMCGGJTJSA-N 0 0 572.586 5.853 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409242438 1073096746 /nfs/dbraw/zinc/09/67/46/1073096746.db2.gz NMVZJUOISIZDCJ-IWIPYMOSSA-N 0 0 553.105 6.779 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)c3)SC2=S)cc1 ZINC000409242530 1073097184 /nfs/dbraw/zinc/09/71/84/1073097184.db2.gz VNZBSULDLISHEU-KSEXSDGBSA-N 0 0 559.496 6.815 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409242372 1073097485 /nfs/dbraw/zinc/09/74/85/1073097485.db2.gz RJXRDDSUHKJJQA-GATIEOLUSA-N 0 0 587.550 7.432 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000409241702 1073099927 /nfs/dbraw/zinc/09/99/27/1073099927.db2.gz TUJIVBZMIOSBCN-USHMODERSA-N 0 0 566.704 7.519 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1 ZINC000409241612 1073100676 /nfs/dbraw/zinc/10/06/76/1073100676.db2.gz KJKYAXXRSVZYNK-XKZIYDEJSA-N 0 0 587.439 5.382 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409241434 1073101232 /nfs/dbraw/zinc/10/12/32/1073101232.db2.gz XNTTZHKZEQRNFW-UFFVCSGVSA-N 0 0 528.403 5.671 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409240241 1073108906 /nfs/dbraw/zinc/10/89/06/1073108906.db2.gz RZRMCQRWJAVOEC-RWPZCVJISA-N 0 0 590.076 7.141 40 10 KKCBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000409240311 1073109417 /nfs/dbraw/zinc/10/94/17/1073109417.db2.gz GLVQYPQDRBKIHN-HMAPJEAMSA-N 0 0 553.503 6.489 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409239982 1073110703 /nfs/dbraw/zinc/11/07/03/1073110703.db2.gz IVKPXKGQQNOTLZ-QFEZKATASA-N 0 0 553.105 6.779 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409239122 1073115963 /nfs/dbraw/zinc/11/59/63/1073115963.db2.gz GMDIZVPBXMWGRX-CFRMEGHHSA-N 0 0 572.630 6.754 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000409238506 1073119327 /nfs/dbraw/zinc/11/93/27/1073119327.db2.gz ANVYEBTXHXXDPB-FBHDLOMBSA-N 0 0 549.888 7.070 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409238499 1073119364 /nfs/dbraw/zinc/11/93/64/1073119364.db2.gz AMYDAHQPKKRFAG-YVLHZVERSA-N 0 0 588.876 5.192 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409238330 1073121964 /nfs/dbraw/zinc/12/19/64/1073121964.db2.gz MZPFUWFXYUAHLS-PKAZHMFMSA-N 0 0 561.729 6.191 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409237844 1073124457 /nfs/dbraw/zinc/12/44/57/1073124457.db2.gz XMPGKOABXVMMEW-ACMDDDSKSA-N 0 0 573.523 6.982 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000409237447 1073127650 /nfs/dbraw/zinc/12/76/50/1073127650.db2.gz WVBQTCRHMRGQRM-NKVSQWTQSA-N 0 0 584.333 7.724 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1O ZINC000409250855 1073133290 /nfs/dbraw/zinc/13/32/90/1073133290.db2.gz NBJGBLISQYQFAX-AUWJEWJLSA-N 0 0 537.322 5.430 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)SC1=S ZINC000409250248 1073137034 /nfs/dbraw/zinc/13/70/34/1073137034.db2.gz QDWRXAQYKUAQGH-YVLHZVERSA-N 0 0 590.348 6.393 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409249891 1073138654 /nfs/dbraw/zinc/13/86/54/1073138654.db2.gz JFTJZEBCYOQRNR-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000409249485 1073141301 /nfs/dbraw/zinc/14/13/01/1073141301.db2.gz JIVQYQJYQIYFQR-BKUYFWCQSA-N 0 0 532.540 6.268 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409248891 1073145306 /nfs/dbraw/zinc/14/53/06/1073145306.db2.gz FUEYPJDEWMYMNU-IWIPYMOSSA-N 0 0 536.650 6.265 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409248785 1073146702 /nfs/dbraw/zinc/14/67/02/1073146702.db2.gz QNYKNTNEKZKDQZ-AFPJDJCSSA-N 0 0 579.914 7.079 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409248653 1073147550 /nfs/dbraw/zinc/14/75/50/1073147550.db2.gz HSSTUCPKHVFRHO-FMCGGJTJSA-N 0 0 577.486 6.955 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409248458 1073147868 /nfs/dbraw/zinc/14/78/68/1073147868.db2.gz KKLBCWDWPHZLQG-RMORIDSASA-N 0 0 559.496 6.734 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409248698 1073147890 /nfs/dbraw/zinc/14/78/90/1073147890.db2.gz IAZRGHVBOCOIBF-QRVIBDJDSA-N 0 0 559.496 6.815 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c(C)c1 ZINC000409248116 1073149663 /nfs/dbraw/zinc/14/96/63/1073149663.db2.gz CAMZYPDDPQFUBZ-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409248397 1073149695 /nfs/dbraw/zinc/14/96/95/1073149695.db2.gz GCTKNGHRFHLTEN-WQFTWXBESA-N 0 0 577.522 5.164 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409248206 1073150174 /nfs/dbraw/zinc/15/01/74/1073150174.db2.gz CKOZLFZHBQIRSR-RIRGPFDCSA-N 0 0 546.714 6.682 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)c(OC)c3)SC2=S)cc1 ZINC000409247975 1073150361 /nfs/dbraw/zinc/15/03/61/1073150361.db2.gz FJRURLFCQYAYIK-QFEZKATASA-N 0 0 569.104 6.479 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409247947 1073152165 /nfs/dbraw/zinc/15/21/65/1073152165.db2.gz IVWGBJLJCZXORH-OYKKKHCWSA-N 0 0 572.630 6.754 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409256646 1073155794 /nfs/dbraw/zinc/15/57/94/1073155794.db2.gz MMXAOYFGQPCQGO-UHFFFAOYSA-N 0 0 644.909 7.012 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409257224 1073156971 /nfs/dbraw/zinc/15/69/71/1073156971.db2.gz RMTICFWPGVRBKK-JMIUGGIZSA-N 0 0 519.431 6.005 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409255945 1073164787 /nfs/dbraw/zinc/16/47/87/1073164787.db2.gz MNKSGEYDRYECFR-MYYYXRDXSA-N 0 0 518.660 6.044 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000409255966 1073165036 /nfs/dbraw/zinc/16/50/36/1073165036.db2.gz MWJDDAQRTVXKBB-JAIQZWGSSA-N 0 0 535.485 5.393 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000409255419 1073166745 /nfs/dbraw/zinc/16/67/45/1073166745.db2.gz KFLMRUWAOROOFI-UHFFFAOYSA-N 0 0 624.491 6.667 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)c(OC)c3)SC2=S)cc1 ZINC000409255486 1073167406 /nfs/dbraw/zinc/16/74/06/1073167406.db2.gz KXKLRODJCJUAEP-XYGWBWBKSA-N 0 0 532.687 6.298 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409255427 1073167411 /nfs/dbraw/zinc/16/74/11/1073167411.db2.gz KIYBJXYPXVLUGD-ITYLOYPMSA-N 0 0 532.687 5.855 40 10 KKCBRN CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000409254946 1073170059 /nfs/dbraw/zinc/17/00/59/1073170059.db2.gz YNIDAYPFHKYOOB-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4CC)c(OC)c3)SC2=S)cc1 ZINC000409254562 1073171390 /nfs/dbraw/zinc/17/13/90/1073171390.db2.gz IAGIAVNHJDLYGM-ONUIUJJFSA-N 0 0 548.686 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409253027 1073183899 /nfs/dbraw/zinc/18/38/99/1073183899.db2.gz VQASERCYHGYOBD-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)SC2=S)cc1Cl ZINC000409252800 1073184172 /nfs/dbraw/zinc/18/41/72/1073184172.db2.gz TXGBWNBKTVXQIB-UUYOSTAYSA-N 0 0 513.015 6.211 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1 ZINC000409252525 1073186660 /nfs/dbraw/zinc/18/66/60/1073186660.db2.gz CDCORJUIUNKEDA-IWIPYMOSSA-N 0 0 519.648 5.185 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409252394 1073187533 /nfs/dbraw/zinc/18/75/33/1073187533.db2.gz RPILJKRAXRWMON-ROTLSHHCSA-N 0 0 583.087 5.886 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409252464 1073187882 /nfs/dbraw/zinc/18/78/82/1073187882.db2.gz RYUFQMPBEVKKMX-OYKKKHCWSA-N 0 0 587.550 7.432 40 10 KKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)c1 ZINC000409251657 1073191894 /nfs/dbraw/zinc/19/18/94/1073191894.db2.gz AVUZAUGYYYOAJV-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409262460 1073193545 /nfs/dbraw/zinc/19/35/45/1073193545.db2.gz DYRGHMUGJKRMNI-UHFFFAOYSA-N 0 0 624.093 6.956 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)SC2=S)cc1 ZINC000409262538 1073193919 /nfs/dbraw/zinc/19/39/19/1073193919.db2.gz HSLZRHXWSCXUKY-ONUIUJJFSA-N 0 0 548.686 6.216 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409267100 1073196137 /nfs/dbraw/zinc/19/61/37/1073196137.db2.gz LXRLNLMCXQSFBZ-HMAPJEAMSA-N 0 0 549.114 5.611 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409266959 1073197600 /nfs/dbraw/zinc/19/76/00/1073197600.db2.gz SPSZZBJLMSPIPD-QRVIBDJDSA-N 0 0 527.042 6.519 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409266933 1073199290 /nfs/dbraw/zinc/19/92/90/1073199290.db2.gz SIKKMLISZYMRLB-YQUKCCFRSA-N 0 0 546.714 6.600 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409266725 1073199732 /nfs/dbraw/zinc/19/97/32/1073199732.db2.gz XZDIJXQTPJAKJI-ITYLOYPMSA-N 0 0 546.714 6.164 40 10 KKCBRN CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCC)c3)S2)CC1 ZINC000002375313 1073200026 /nfs/dbraw/zinc/20/00/26/1073200026.db2.gz XUZIIDJKSUAYDN-XIEYBQDHSA-N 0 0 530.650 5.183 40 10 KKCBRN Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000409266776 1073200184 /nfs/dbraw/zinc/20/01/84/1073200184.db2.gz YIYQSUJZZMJNGF-UHFFFAOYSA-N 0 0 545.595 5.904 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S ZINC000409266801 1073200208 /nfs/dbraw/zinc/20/02/08/1073200208.db2.gz YOISMQQWHGTTCK-WQRHYEAKSA-N 0 0 521.458 5.005 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2ccc(NN=C3C=C(C(=O)Nc4ccccc4N(C)C)C(=O)c4ccccc43)c(Cl)c2)cc1 ZINC000004044745 1073200888 /nfs/dbraw/zinc/20/08/88/1073200888.db2.gz WRFRIGGHLAUCAB-ULDVOPSXSA-N 0 0 614.127 8.042 40 10 KKCBRN Cc1ccc(S(=O)(=O)Nc2ccc(NN=C3C=C(C(=O)Nc4ccccc4N(C)C)C(=O)c4ccccc43)cc2)cc1 ZINC000003991733 1073200975 /nfs/dbraw/zinc/20/09/75/1073200975.db2.gz QVYSCCAYMMHYOM-XAHDOWKMSA-N 0 0 579.682 7.388 40 10 KKCBRN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3ccc(Cl)cc3)C1=N2 ZINC000006150398 1073202223 /nfs/dbraw/zinc/20/22/23/1073202223.db2.gz GRNBJRXRCLZMEU-HHHXNRCGSA-N 0 0 610.903 7.493 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)NCc1ccccc1 ZINC000409265969 1073204505 /nfs/dbraw/zinc/20/45/05/1073204505.db2.gz XFGKOKCYDCMGOH-UUYOSTAYSA-N 0 0 529.470 6.094 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409265496 1073206061 /nfs/dbraw/zinc/20/60/61/1073206061.db2.gz VGHKHLCGLGISPW-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccncc2)o1)c1ccc(OC(F)F)cc1 ZINC000027526056 1073206497 /nfs/dbraw/zinc/20/64/97/1073206497.db2.gz QCEUHKAYRUPHHT-NUZQFDAVSA-N 0 0 512.454 6.402 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409265601 1073206820 /nfs/dbraw/zinc/20/68/20/1073206820.db2.gz NAPRFUBYOLCQQY-FMCGGJTJSA-N 0 0 539.034 5.488 40 10 KKCBRN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409264975 1073209232 /nfs/dbraw/zinc/20/92/32/1073209232.db2.gz HHWJHHPYOODSOQ-MZJWZYIUSA-N 0 0 633.639 5.286 40 10 KKCBRN O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409264601 1073212072 /nfs/dbraw/zinc/21/20/72/1073212072.db2.gz LHADEPBOYCTMPL-TVPGTPATSA-N 0 0 518.241 5.262 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409264203 1073213287 /nfs/dbraw/zinc/21/32/87/1073213287.db2.gz NSVLHIRUEMSHCF-DWGAWOTKSA-N 0 0 518.660 6.065 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409264019 1073215466 /nfs/dbraw/zinc/21/54/66/1073215466.db2.gz JERYPWVEANDPNC-GTBBCORBSA-N 0 0 522.570 5.103 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409263750 1073215543 /nfs/dbraw/zinc/21/55/43/1073215543.db2.gz OAENZTHZKVHFHO-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409263859 1073216251 /nfs/dbraw/zinc/21/62/51/1073216251.db2.gz CKTCVIXUEKYEGW-HAHDFKILSA-N 0 0 525.051 6.162 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)SC2=S)cc1C ZINC000409263688 1073217029 /nfs/dbraw/zinc/21/70/29/1073217029.db2.gz NRWGPXZURSDLPB-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409263671 1073217053 /nfs/dbraw/zinc/21/70/53/1073217053.db2.gz NPJCCSPQWBPYEE-LIAPLOTISA-N 0 0 518.660 5.984 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263384 1073218006 /nfs/dbraw/zinc/21/80/06/1073218006.db2.gz JABOXGBKABIURY-WWAUWJAYSA-N 0 0 532.687 6.292 40 10 KKCBRN CCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000409262288 1073221836 /nfs/dbraw/zinc/22/18/36/1073221836.db2.gz HKBBXAQDJMHLKN-JAIQZWGSSA-N 0 0 525.479 6.021 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409262170 1073223114 /nfs/dbraw/zinc/22/31/14/1073223114.db2.gz FQFOBRIBIROLAE-ZDLGFXPLSA-N 0 0 511.452 5.629 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409262271 1073223822 /nfs/dbraw/zinc/22/38/22/1073223822.db2.gz HHFONLFJQHAZEX-BWAHOGKJSA-N 0 0 518.660 5.547 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409262105 1073224200 /nfs/dbraw/zinc/22/42/00/1073224200.db2.gz FEAVREJRFQUXGK-UHFFFAOYSA-N 0 0 596.039 6.258 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)SC2=S)cc1 ZINC000409261889 1073224529 /nfs/dbraw/zinc/22/45/29/1073224529.db2.gz FCQBUEPMOXZKGY-HMAPJEAMSA-N 0 0 528.577 6.437 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000409261963 1073224980 /nfs/dbraw/zinc/22/49/80/1073224980.db2.gz GJCATTXNOIVXGO-YVLHZVERSA-N 0 0 541.876 5.350 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)SC2=S)cc1 ZINC000409261694 1073225319 /nfs/dbraw/zinc/22/53/19/1073225319.db2.gz CUVUIHBWYRSMOQ-UUYOSTAYSA-N 0 0 545.469 6.425 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)SC2=S)cc1Cl ZINC000409261692 1073226525 /nfs/dbraw/zinc/22/65/25/1073226525.db2.gz CUNXDYDOAANQNF-JJFYIABZSA-N 0 0 529.470 6.725 40 10 KKCBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000409261414 1073226920 /nfs/dbraw/zinc/22/69/20/1073226920.db2.gz BVPWSRNQADFYBG-GRSHGNNSSA-N 0 0 525.479 5.939 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1C ZINC000409261419 1073226934 /nfs/dbraw/zinc/22/69/34/1073226934.db2.gz BZKCLNZLYQHJKY-QRVIBDJDSA-N 0 0 542.604 6.746 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409261463 1073227236 /nfs/dbraw/zinc/22/72/36/1073227236.db2.gz CEIDYIDIPMUDSQ-UUYOSTAYSA-N 0 0 529.470 6.725 40 10 KKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S ZINC000409261333 1073228065 /nfs/dbraw/zinc/22/80/65/1073228065.db2.gz ADQLSAKMMNHUOQ-VOMLJKFNSA-N 0 0 543.497 6.973 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409261243 1073229188 /nfs/dbraw/zinc/22/91/88/1073229188.db2.gz BHTZKQQNEIUNDM-TYRKEJLSSA-N 0 0 546.714 6.628 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409261250 1073229196 /nfs/dbraw/zinc/22/91/96/1073229196.db2.gz BKFRCFQVYZMHJB-QQXSKIMKSA-N 0 0 532.687 6.298 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409260821 1073230335 /nfs/dbraw/zinc/23/03/35/1073230335.db2.gz XCWCXHGXWOYGDF-QQXSKIMKSA-N 0 0 532.687 6.434 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409261085 1073230413 /nfs/dbraw/zinc/23/04/13/1073230413.db2.gz BAFAPPYJYBUWOX-LZAZYHHXSA-N 0 0 533.071 5.136 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1Cl ZINC000409260856 1073230807 /nfs/dbraw/zinc/23/08/07/1073230807.db2.gz XPESGZPQYXODJS-KSEXSDGBSA-N 0 0 543.497 7.034 40 10 KKCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 ZINC000409260652 1073233399 /nfs/dbraw/zinc/23/33/99/1073233399.db2.gz UDKMNJFVCDFNAE-UCQKPKSFSA-N 0 0 542.604 6.691 40 10 KKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1 ZINC000409260403 1073233445 /nfs/dbraw/zinc/23/34/45/1073233445.db2.gz PVVSQNJHXAOZSR-IWIPYMOSSA-N 0 0 539.078 6.334 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000409260422 1073233852 /nfs/dbraw/zinc/23/38/52/1073233852.db2.gz QCRRIZAVCHHEOD-PKAZHMFMSA-N 0 0 546.714 6.688 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409260136 1073235461 /nfs/dbraw/zinc/23/54/61/1073235461.db2.gz LHVWPLDHOOIJQR-UUMRFZBWSA-N 0 0 547.098 5.445 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4C)c3)SC2=S)cc1C ZINC000409259812 1073237087 /nfs/dbraw/zinc/23/70/87/1073237087.db2.gz FXBWVTQIEGUNGF-OYKKKHCWSA-N 0 0 523.079 6.689 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409259679 1073237900 /nfs/dbraw/zinc/23/79/00/1073237900.db2.gz CJUOPHPSRDFUPZ-QQXSKIMKSA-N 0 0 546.714 6.742 40 10 KKCBRN Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)c1 ZINC000409258996 1073242735 /nfs/dbraw/zinc/24/27/35/1073242735.db2.gz YSGSAEFFTQSXIL-UHFFFAOYSA-N 0 0 531.568 5.596 40 10 KKCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000409258527 1073245116 /nfs/dbraw/zinc/24/51/16/1073245116.db2.gz XXHVCTKHMMYIDQ-IWIPYMOSSA-N 0 0 523.079 6.110 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409258346 1073245459 /nfs/dbraw/zinc/24/54/59/1073245459.db2.gz URCRXOVBHBQTAK-YUMHPJSZSA-N 0 0 546.714 6.742 40 10 KKCBRN Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409258420 1073246302 /nfs/dbraw/zinc/24/63/02/1073246302.db2.gz WZPCJJWILFMNMT-UHFFFAOYSA-N 0 0 689.360 7.121 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409258304 1073247141 /nfs/dbraw/zinc/24/71/41/1073247141.db2.gz WDAFHKDAXKGPGP-UCQKPKSFSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409257726 1073250950 /nfs/dbraw/zinc/25/09/50/1073250950.db2.gz RZRVZNJEDHUZIT-QRVIBDJDSA-N 0 0 525.051 6.080 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)SC2=S)cc1 ZINC000409257396 1073252154 /nfs/dbraw/zinc/25/21/54/1073252154.db2.gz OJDMIWQRYQTIJW-MYYYXRDXSA-N 0 0 534.659 5.744 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000409271961 1073259298 /nfs/dbraw/zinc/25/92/98/1073259298.db2.gz WTUABYMKDSDINC-MTEVNVADSA-N 0 0 533.071 5.055 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409271640 1073261139 /nfs/dbraw/zinc/26/11/39/1073261139.db2.gz VQUWCBNELXAJBT-RPPGKUMJSA-N 0 0 639.637 5.412 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1C ZINC000409271445 1073263483 /nfs/dbraw/zinc/26/34/83/1073263483.db2.gz LATUQNYXGASFJK-CFRMEGHHSA-N 0 0 523.079 6.689 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(OCc2ccccc2)c1 ZINC000409270764 1073267589 /nfs/dbraw/zinc/26/75/89/1073267589.db2.gz AISVCPRILAFIAE-YZSQISJMSA-N 0 0 521.683 5.407 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4Cl)c3)SC2=S)cc1C ZINC000409270327 1073270488 /nfs/dbraw/zinc/27/04/88/1073270488.db2.gz PHWBDQUGNWCELH-FMCGGJTJSA-N 0 0 543.497 7.034 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)c(OC)c3)SC2=S)cc1 ZINC000409270449 1073271378 /nfs/dbraw/zinc/27/13/78/1073271378.db2.gz PPJZVGXOGVAZDR-IWIPYMOSSA-N 0 0 534.659 5.744 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(-c5ccccc5)cc(C(F)(F)F)n4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409270074 1073272923 /nfs/dbraw/zinc/27/29/23/1073272923.db2.gz FPENGHIAQSHOJO-UJVJZFQOSA-N 0 0 691.757 6.084 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)SC2=S)cc1 ZINC000409269147 1073278681 /nfs/dbraw/zinc/27/86/81/1073278681.db2.gz FZSQQUJLIORZDW-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269093 1073280577 /nfs/dbraw/zinc/28/05/77/1073280577.db2.gz DZSORHDEUVQZJU-UHFFFAOYSA-N 0 0 644.511 7.301 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409268755 1073282155 /nfs/dbraw/zinc/28/21/55/1073282155.db2.gz YQYAWRRHIXGZLN-SPMKTWQFSA-N 0 0 526.680 5.100 40 10 KKCBRN COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)SC1=S ZINC000409268809 1073282512 /nfs/dbraw/zinc/28/25/12/1073282512.db2.gz AVGQMWZTZCSMPF-MOSHPQCFSA-N 0 0 535.485 5.013 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409268625 1073283235 /nfs/dbraw/zinc/28/32/35/1073283235.db2.gz WTXFVAINHWKXDW-MTJSOVHGSA-N 0 0 532.540 6.268 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409268282 1073284284 /nfs/dbraw/zinc/28/42/84/1073284284.db2.gz YSSMARSKMKHPNW-UHFFFAOYSA-N 0 0 654.517 6.675 40 10 KKCBRN O=C(COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)Nc1ccccc1Cl ZINC000409268219 1073285888 /nfs/dbraw/zinc/28/58/88/1073285888.db2.gz RSMRLHOQLVIEIF-MTJSOVHGSA-N 0 0 548.995 6.782 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409267817 1073288206 /nfs/dbraw/zinc/28/82/06/1073288206.db2.gz PEPLOISYMCNGQF-IMRQLAEWSA-N 0 0 546.714 6.164 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409272811 1073335778 /nfs/dbraw/zinc/33/57/78/1073335778.db2.gz HJZAAOZXJBULHW-NHDPSOOVSA-N 0 0 506.455 5.696 40 10 KKCBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OC)c1 ZINC000409272881 1073336605 /nfs/dbraw/zinc/33/66/05/1073336605.db2.gz TZFKZGOAZPCKRG-SDPDQUOZSA-N 0 0 534.659 5.684 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409272898 1073336650 /nfs/dbraw/zinc/33/66/50/1073336650.db2.gz HYYIETFVMQNFLB-WNFQYIGGSA-N 0 0 536.387 6.354 40 10 KKCBRN Cc1ccc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100368691 193904914 /nfs/dbraw/zinc/90/49/14/193904914.db2.gz NYJDTONUQDWJJS-UHFFFAOYSA-N 0 0 551.649 6.803 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224515772 193957047 /nfs/dbraw/zinc/95/70/47/193957047.db2.gz CIHFARVMCPOTMC-IZZNHLLZSA-N 0 0 561.505 6.215 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 ZINC000224530364 193964533 /nfs/dbraw/zinc/96/45/33/193964533.db2.gz SNWUPINSVFMTQO-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000225548339 193978580 /nfs/dbraw/zinc/97/85/80/193978580.db2.gz FLEBYIKQHFAVMK-JSOSNVBQSA-N 0 0 537.733 6.361 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225549064 193978821 /nfs/dbraw/zinc/97/88/21/193978821.db2.gz ONZXHSPUGOXMLX-XZWHSSHBSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225548956 193978929 /nfs/dbraw/zinc/97/89/29/193978929.db2.gz UPLOKYWEHPUDJB-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409051344 195501925 /nfs/dbraw/zinc/50/19/25/195501925.db2.gz CKSDWDJIBFHJFF-QFEZKATASA-N 0 0 554.531 7.137 40 10 KKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)SC1=S ZINC000409383175 195517416 /nfs/dbraw/zinc/51/74/16/195517416.db2.gz UXVGCYROFCFHAX-YVLHZVERSA-N 0 0 607.276 5.696 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409231695 195508114 /nfs/dbraw/zinc/50/81/14/195508114.db2.gz FQABLVXNXYBALS-ODLFYWEKSA-N 0 0 569.930 6.048 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000001272918 551635347 /nfs/dbraw/zinc/63/53/47/551635347.db2.gz IXRJLJURFXLQJX-HKBOAZHASA-N 0 0 571.210 5.451 40 10 KKCBRN COc1cc(/C=C2/N=C(c3ccccc3)N(n3c(=O)c4ccccc4nc3-c3ccccc3)C2=O)cc(OC)c1OC ZINC000001635956 551687144 /nfs/dbraw/zinc/68/71/44/551687144.db2.gz CPANPPPTWOKTNI-NLRVBDNBSA-N 0 0 558.594 5.055 40 10 KKCBRN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=S)c1 ZINC000001789684 551701267 /nfs/dbraw/zinc/70/12/67/551701267.db2.gz MKECYHXUOFOKQX-CFRMEGHHSA-N 0 0 572.502 6.460 40 10 KKCBRN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002157163 551779911 /nfs/dbraw/zinc/77/99/11/551779911.db2.gz UYBVBFZQKLNELJ-OXZXCBDKSA-N 0 0 522.686 5.467 40 10 biogenic,in-vitro KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000002594870 552134248 /nfs/dbraw/zinc/13/42/48/552134248.db2.gz YIEICXSUEIMIKC-QQJNOOCOSA-N 0 0 595.880 6.908 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000003768638 552415411 /nfs/dbraw/zinc/41/54/11/552415411.db2.gz WQRJVAWKKIIADF-KGENOOAVSA-N 0 0 511.024 5.474 40 10 KKCBRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000003830975 552419405 /nfs/dbraw/zinc/41/94/05/552419405.db2.gz VHVPQPYKVGDNFY-OPVGUIJKSA-N 0 0 705.647 5.577 40 10 in-vitro KKCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Br)c3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000004119515 552439207 /nfs/dbraw/zinc/43/92/07/552439207.db2.gz AFHFBCHKRTTWOD-BHIFYINESA-N 0 0 550.792 5.106 40 10 KKCBRN O=C(Nc1ccc(NC(=O)Oc2cccc3ccccc32)c2c1C(=O)c1ccccc1C2=O)Oc1cccc2ccccc21 ZINC000004768901 552481199 /nfs/dbraw/zinc/48/11/99/552481199.db2.gz UYEDNEUUECVRMF-UHFFFAOYSA-N 0 0 578.580 7.990 40 10 KKCBRN CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[nH]c1N=Nc1ccc(Br)cc1 ZINC000004771935 552481515 /nfs/dbraw/zinc/48/15/15/552481515.db2.gz SXIGKALKFGSRBE-NBHCHVEOSA-N 0 0 519.201 6.444 40 10 KKCBRN CCN(CC)c1ccc(C(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1 ZINC000005124965 552494182 /nfs/dbraw/zinc/49/41/82/552494182.db2.gz CXNSGBJMZFTIKM-UHFFFAOYSA-N 0 0 616.938 10.079 40 10 KKCBRN COc1ccc(CCNc2ccc(NCCc3ccc(OC)c(OC)c3)c3c2C(=O)c2ccccc2C3=O)cc1OC ZINC000005374362 552500415 /nfs/dbraw/zinc/50/04/15/552500415.db2.gz KKQFYAVZLHDHDP-UHFFFAOYSA-N 0 0 566.654 5.806 40 10 KKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(F)cc2)C[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000005732474 552507855 /nfs/dbraw/zinc/50/78/55/552507855.db2.gz KVXHCTRHRDGXCS-VWLOTQADSA-N 0 0 515.371 7.586 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000006305025 552580858 /nfs/dbraw/zinc/58/08/58/552580858.db2.gz ZVBZYHXVVSOVDM-YDZHTSKRSA-N 0 0 585.501 5.890 40 10 KKCBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000006456393 552590084 /nfs/dbraw/zinc/59/00/84/552590084.db2.gz YCUQMZCGZGWQBP-BOCWGRARSA-N 0 0 518.704 6.425 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008819782 553154491 /nfs/dbraw/zinc/15/44/91/553154491.db2.gz FNFYCUNGSARLNI-QOMWVZHYSA-N 0 0 500.689 7.062 40 10 KKCBRN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 ZINC000008819777 553154504 /nfs/dbraw/zinc/15/45/04/553154504.db2.gz YBHOLOIGQYCESY-CLCOLTQESA-N 0 0 524.708 6.352 40 10 KKCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008820049 553154971 /nfs/dbraw/zinc/15/49/71/553154971.db2.gz CZVPAHPWFUEEDW-ULJHMMPZSA-N 0 0 524.708 6.004 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000008820086 553155127 /nfs/dbraw/zinc/15/51/27/553155127.db2.gz RAHZXYQUKSJKJB-MOHJPFBDSA-N 0 0 518.660 6.027 40 10 KKCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000008820480 553155428 /nfs/dbraw/zinc/15/54/28/553155428.db2.gz FXRKUYVNYLSLRA-TYDGOQDOSA-N 0 0 500.670 6.664 40 10 KKCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000008820205 553155429 /nfs/dbraw/zinc/15/54/29/553155429.db2.gz DLUYTVLDJUREKI-NKFKGCMQSA-N 0 0 515.144 6.929 40 10 KKCBRN O=C(c1ccccc1)N1c2ccc(Br)cc2[C@H]2C=CC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000008826621 553156128 /nfs/dbraw/zinc/15/61/28/553156128.db2.gz QPHZWGFJQIJOCO-IMSXRSKXSA-N 0 0 509.241 7.273 40 10 KKCBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000008832919 553158892 /nfs/dbraw/zinc/15/88/92/553158892.db2.gz HESPEEQNKMFJCN-UHFFFAOYSA-N 0 0 501.007 6.277 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 ZINC000008983645 553196215 /nfs/dbraw/zinc/19/62/15/553196215.db2.gz DGRCYTXHABJPIP-CGYHDWOCSA-N 0 0 512.591 5.362 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000009015773 553200619 /nfs/dbraw/zinc/20/06/19/553200619.db2.gz IEMFYGHUPOEKCH-PKTNWEFCSA-N 0 0 501.607 6.373 40 10 KKCBRN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158556 553215136 /nfs/dbraw/zinc/21/51/36/553215136.db2.gz BGJBHNMVORQADH-IXLXJOPFSA-N 0 0 527.731 5.305 40 10 KKCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009189263 553218319 /nfs/dbraw/zinc/21/83/19/553218319.db2.gz OREUYQBIEFMZAS-IMRQLAEWSA-N 0 0 517.626 5.514 40 10 KKCBRN Cc1cccc(C)c1OCCn1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc21 ZINC000009246857 553227430 /nfs/dbraw/zinc/22/74/30/553227430.db2.gz SNJZWTKQNQKQPK-JEHUDBGOSA-N 0 0 525.678 6.537 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000009299725 553235980 /nfs/dbraw/zinc/23/59/80/553235980.db2.gz OSSAGVDJNKPPKQ-JCMHNJIXSA-N 0 0 522.088 5.661 40 10 KKCBRN Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010113194 553328919 /nfs/dbraw/zinc/32/89/19/553328919.db2.gz SEACWVWCNPZLEH-UHFFFAOYSA-N 0 0 512.075 5.150 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000010113135 553328964 /nfs/dbraw/zinc/32/89/64/553328964.db2.gz YYKRWRZRXAPKHM-UHFFFAOYSA-N 0 0 526.102 5.459 40 10 KKCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012475202 553370635 /nfs/dbraw/zinc/37/06/35/553370635.db2.gz PUNICJYQZWKMMI-SSEXGKCCSA-N 0 0 528.722 6.057 40 10 KKCBRN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012658485 553411264 /nfs/dbraw/zinc/41/12/64/553411264.db2.gz OEMWUGHDKFDJNY-ULIFNZDWSA-N 0 0 501.546 6.750 40 10 KKCBRN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012660189 553411724 /nfs/dbraw/zinc/41/17/24/553411724.db2.gz CEVOVLKVXASDDN-JEIPZWNWSA-N 0 0 503.480 7.583 40 10 KKCBRN CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025144 553435494 /nfs/dbraw/zinc/43/54/94/553435494.db2.gz QPJFDCOMFHAWRP-YUDQIZAISA-N 0 0 529.681 6.077 40 10 KKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000013667981 553480910 /nfs/dbraw/zinc/48/09/10/553480910.db2.gz LCPHCVNSVWTYHX-GDLZYMKVSA-N 0 0 520.098 6.035 40 10 KKCBRN O=[N+]([O-])c1ccc(/N=N/c2ccc(N=P(N3CCCCC3)(N3CCCCC3)N3CCCCC3)cc2)cc1 ZINC000015906165 553540353 /nfs/dbraw/zinc/54/03/53/553540353.db2.gz DGFQMFJJBXWFKW-ZQHSETAFSA-N 0 0 523.622 8.046 40 10 KKCBRN COc1cc2c(cc1NCCCCC(=O)Nc1cc3oc4ccccc4c3cc1OC)oc1ccccc12 ZINC000016215126 553556869 /nfs/dbraw/zinc/55/68/69/553556869.db2.gz IHEGCQHDMCNWPU-UHFFFAOYSA-N 0 0 508.574 7.724 40 10 KKCBRN Cc1ccc(C(=O)CC(=CC(=C2SC(=S)NC2=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000016291758 553558982 /nfs/dbraw/zinc/55/89/82/553558982.db2.gz WFNCXJJOBGTFCK-GCXIQGEKSA-N 0 0 504.076 7.172 40 10 KKCBRN Cc1ccc(C)n1-c1cccc(N(c2cccc(-n3c(C)ccc3C)c2)c2cccc(-n3c(C)ccc3C)c2)c1 ZINC000016347991 553560834 /nfs/dbraw/zinc/56/08/34/553560834.db2.gz GFQATCQSDOZOHK-UHFFFAOYSA-N 0 0 524.712 9.379 40 10 KKCBRN O=C(c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1)c1ccc(Br)cc1 ZINC000016401130 553562824 /nfs/dbraw/zinc/56/28/24/553562824.db2.gz JTWFKSQXYNHOOR-WCWDXBQESA-N 0 0 501.362 5.902 40 10 KKCBRN O=C1C(=Cc2cc(Cl)ccc2OCc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000016480496 553566016 /nfs/dbraw/zinc/56/60/16/553566016.db2.gz GDSUEJIFUXVJDR-UHFFFAOYSA-N 0 0 508.961 6.502 40 10 KKCBRN COc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000016576788 553568470 /nfs/dbraw/zinc/56/84/70/553568470.db2.gz STTYYJPGWUNULT-GJQHCVRFSA-N 0 0 504.633 5.675 40 10 KKCBRN CC[C@H](C)c1ccc(OCCn2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000016610569 553569359 /nfs/dbraw/zinc/56/93/59/553569359.db2.gz ISEWIIMTUBWAIY-AULUETOISA-N 0 0 526.727 7.635 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCn2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000016610566 553569394 /nfs/dbraw/zinc/56/93/94/553569394.db2.gz ISEWIIMTUBWAIY-SPTLEAKQSA-N 0 0 526.727 7.635 40 10 KKCBRN CCN1c2ccccc2SC1=Cc1cc(-c2ccccc2)nc2sc(C(=O)C(F)(F)F)c([O-])[n+]21 ZINC000016681910 553572053 /nfs/dbraw/zinc/57/20/53/553572053.db2.gz BNVKLULYADDIAJ-UHFFFAOYSA-O 0 0 500.547 5.930 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000016689176 553573435 /nfs/dbraw/zinc/57/34/35/553573435.db2.gz NIGJKUOKVIAXMI-MYYYXRDXSA-N 0 0 509.624 6.213 40 10 KKCBRN CCC(=O)Oc1ccc(C2N(Cc3ccc(N(C)C)cc3)CCCN2Cc2ccc(N(C)C)cc2)cc1 ZINC000019326958 553613446 /nfs/dbraw/zinc/61/34/46/553613446.db2.gz ZTHQUQSJIGMRAT-UHFFFAOYSA-N 0 0 500.687 5.541 40 10 KKCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287323 553632771 /nfs/dbraw/zinc/63/27/71/553632771.db2.gz FVVQTJPGAUYJEV-RRAHZORUSA-N 0 0 524.646 5.648 40 10 KKCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000020288816 553633751 /nfs/dbraw/zinc/63/37/51/553633751.db2.gz XHSULIBPTQXWEV-USHMODERSA-N 0 0 510.594 5.051 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000096577274 553756118 /nfs/dbraw/zinc/75/61/18/553756118.db2.gz CRKSGXJZEUXXIW-XYGWBWBKSA-N 0 0 518.660 6.125 40 10 KKCBRN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 ZINC000026503336 553818974 /nfs/dbraw/zinc/81/89/74/553818974.db2.gz NYTVPOVKLSLXOR-XSVFKNIVSA-N 0 0 518.708 5.448 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOCCOc2ccc(C)cc2)SC1=S ZINC000026712873 553820512 /nfs/dbraw/zinc/82/05/12/553820512.db2.gz RKJOHWMXHHIYSY-QNGOZBTKSA-N 0 0 522.486 5.453 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000027904475 553836659 /nfs/dbraw/zinc/83/66/59/553836659.db2.gz YTZMGKJXJXVKRX-RCCKNPSSSA-N 0 0 506.089 6.325 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000097957845 553848834 /nfs/dbraw/zinc/84/88/34/553848834.db2.gz BVXLKPGLTICKRJ-VJAHKBQOSA-N 0 0 556.644 5.528 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000097958100 553851122 /nfs/dbraw/zinc/85/11/22/553851122.db2.gz RWHFTHUXMWPYPH-BQFNURJMSA-N 0 0 556.644 5.528 40 10 KKCBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=N)S2)cc1 ZINC000097959100 553860722 /nfs/dbraw/zinc/86/07/22/553860722.db2.gz OYTWDMPGFLDARE-OAJDIEPYSA-N 0 0 521.429 6.548 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000097959127 553861154 /nfs/dbraw/zinc/86/11/54/553861154.db2.gz ZPPPUCDGQXDVBE-KCVIMQOESA-N 0 0 571.472 6.375 40 10 KKCBRN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000097959164 553861365 /nfs/dbraw/zinc/86/13/65/553861365.db2.gz TULAMDGTLYUNJZ-AKZLBXIRSA-N 0 0 577.888 5.988 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1cccc(OC)c1 ZINC000097959155 553861436 /nfs/dbraw/zinc/86/14/36/553861436.db2.gz KOUDXXIFLNYEFK-UNOMPAQXSA-N 0 0 524.458 5.145 40 10 KKCBRN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2)cc1 ZINC000032109559 553863184 /nfs/dbraw/zinc/86/31/84/553863184.db2.gz PBHYQZGNAYSBNP-HTIBICBSSA-N 0 0 512.591 5.129 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000097959481 553864259 /nfs/dbraw/zinc/86/42/59/553864259.db2.gz NNRUCLHGLACHJG-ZPTCNBJASA-N 0 0 585.524 6.242 40 10 KKCBRN Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125017 553866082 /nfs/dbraw/zinc/86/60/82/553866082.db2.gz WUUZICWHSHWRES-CIAFOILYSA-N 0 0 509.590 6.368 40 10 KKCBRN CCCOc1cc(Cl)c(C=C2C(=O)N(CCc3ccccc3)C(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000097959940 553867446 /nfs/dbraw/zinc/86/74/46/553867446.db2.gz IOJVRBWRYWACCV-UHFFFAOYSA-N 0 0 547.051 5.797 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000097964306 553897228 /nfs/dbraw/zinc/89/72/28/553897228.db2.gz OBLJVMHPVRMXIA-FIQBSCIMSA-N 0 0 556.644 5.414 40 10 KKCBRN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OC ZINC000097964332 553897251 /nfs/dbraw/zinc/89/72/51/553897251.db2.gz HOQNCTMZYRXFJT-AYAVNJHBSA-N 0 0 560.720 6.866 40 10 KKCBRN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c3ccccc32)cc1 ZINC000097964360 553897485 /nfs/dbraw/zinc/89/74/85/553897485.db2.gz OUMYJKHLTRNFKE-CLYRCMFSSA-N 0 0 551.697 6.539 40 10 KKCBRN Cc1c(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2cc(C)ccc2n1CCOc1cc(Cl)ccc1Cl ZINC000097964523 553899290 /nfs/dbraw/zinc/89/92/90/553899290.db2.gz PZWLFIKYVNWDLP-BYHVMHSWSA-N 0 0 590.514 5.265 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000097964682 553900071 /nfs/dbraw/zinc/90/00/71/553900071.db2.gz YZAQZKUKRMFOJG-SXXRJMFASA-N 0 0 578.407 5.293 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4cc(C)ccc4C(C)C)c(OC)c3)C2=N)S1 ZINC000097964691 553900141 /nfs/dbraw/zinc/90/01/41/553900141.db2.gz XNABWXMXURIGRP-MEOZCULNSA-N 0 0 646.551 6.609 40 10 KKCBRN N=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000097964789 553900702 /nfs/dbraw/zinc/90/07/02/553900702.db2.gz KJWDVIQFMPTITR-PKJHAWMFSA-N 0 0 527.009 5.436 40 10 KKCBRN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000097964794 553901001 /nfs/dbraw/zinc/90/10/01/553901001.db2.gz JRVJUCZZXUJFAC-WVAOXWHESA-N 0 0 548.672 6.296 40 10 KKCBRN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=N)S1 ZINC000097964914 553901597 /nfs/dbraw/zinc/90/15/97/553901597.db2.gz JMAHBSGRLCYGRE-GKELFAJFSA-N 0 0 596.450 6.061 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4ccc(Sc5cccc6ccccc65)o4)C3=N)S2)c1 ZINC000097964938 553901911 /nfs/dbraw/zinc/90/19/11/553901911.db2.gz PNJMQPRWAJBOAN-CSEHATQYSA-N 0 0 524.627 6.591 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000097964937 553901933 /nfs/dbraw/zinc/90/19/33/553901933.db2.gz WMTVEKPTDCSEFC-VMRCOSQASA-N 0 0 579.053 6.463 40 10 KKCBRN CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000097972194 553966352 /nfs/dbraw/zinc/96/63/52/553966352.db2.gz IUJFPKGBQVGKRW-SFTDATJTSA-N 0 0 603.692 8.812 40 10 KKCBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000097972314 553966578 /nfs/dbraw/zinc/96/65/78/553966578.db2.gz PZGPAOINMBJLJS-PXLXIMEGSA-N 0 0 531.577 7.328 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000033784246 553973493 /nfs/dbraw/zinc/97/34/93/553973493.db2.gz CBGUSAXXYRWNFX-FIWVVIKYSA-N 0 0 532.684 8.468 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097984125 554014280 /nfs/dbraw/zinc/01/42/80/554014280.db2.gz HAFSIPAAXKYSGC-GUKYMQHHSA-N 0 0 627.811 5.276 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000098002630 554053682 /nfs/dbraw/zinc/05/36/82/554053682.db2.gz ZSHLXESIJVZZBW-AUSNRZEJSA-N 0 0 530.580 7.128 40 10 KKCBRN O=C1NC(=S)S/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000100054661 554195903 /nfs/dbraw/zinc/19/59/03/554195903.db2.gz ZHWKGTJKGOTAES-VCHYOVAHSA-N 0 0 535.282 6.433 40 10 KKCBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(Br)c2)cc1 ZINC000100072917 554202398 /nfs/dbraw/zinc/20/23/98/554202398.db2.gz AHTGEJXRNAUQIZ-UHFFFAOYSA-N 0 0 556.526 5.260 40 10 KKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)O2)cc1 ZINC000100073927 554203090 /nfs/dbraw/zinc/20/30/90/554203090.db2.gz NNJNORQQSUURMP-QUPMIFSKSA-N 0 0 556.105 9.744 40 10 KKCBRN CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000100074705 554203502 /nfs/dbraw/zinc/20/35/02/554203502.db2.gz NWULEYKJRHHDPE-XIEYBQDHSA-N 0 0 568.558 7.610 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100157548 554233178 /nfs/dbraw/zinc/23/31/78/554233178.db2.gz ADDCJVMJQJXQLR-AYZFELBOSA-N 0 0 518.352 5.029 40 10 KKCBRN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCc1ccccc1 ZINC000100162537 554235616 /nfs/dbraw/zinc/23/56/16/554235616.db2.gz HHAQKPHXTRNWLB-MTJSOVHGSA-N 0 0 524.354 6.169 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100185683 554242736 /nfs/dbraw/zinc/24/27/36/554242736.db2.gz QERQDQSZZACRCB-NBQDTTAVSA-N 0 0 611.167 5.521 40 10 KKCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1 ZINC000100192077 554244742 /nfs/dbraw/zinc/24/47/42/554244742.db2.gz RDMPFBJBRRYHEG-PTGBLXJZSA-N 0 0 540.413 7.357 40 10 KKCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000100191836 554244807 /nfs/dbraw/zinc/24/48/07/554244807.db2.gz WUMWNBFXZXYSDT-UHFFFAOYSA-N 0 0 540.417 6.440 40 10 KKCBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000100198601 554246397 /nfs/dbraw/zinc/24/63/97/554246397.db2.gz XKUFFUAQPYJGCJ-IUXPMGMMSA-N 0 0 580.296 6.407 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000100224502 554252613 /nfs/dbraw/zinc/25/26/13/554252613.db2.gz WLNWQOREVCMSOX-JCMHNJIXSA-N 0 0 587.460 6.315 40 10 KKCBRN CCCCCCc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000100266501 554266954 /nfs/dbraw/zinc/26/69/54/554266954.db2.gz QHOUTIVJCFQBEL-YOSIYNQJSA-N 0 0 566.727 7.243 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100267873 554267955 /nfs/dbraw/zinc/26/79/55/554267955.db2.gz TXKKBDFOBJYVKF-XMLJNWMVSA-N 0 0 581.138 7.129 40 10 KKCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000100268079 554268001 /nfs/dbraw/zinc/26/80/01/554268001.db2.gz YLYUYYNFODKZBJ-LBOPPBIISA-N 0 0 543.045 5.624 40 10 KKCBRN CC[C@@H](C)c1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000100272684 554269987 /nfs/dbraw/zinc/26/99/87/554269987.db2.gz AOOFRROQFRMAOQ-OHYRLLBTSA-N 0 0 538.673 6.634 40 10 KKCBRN COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000100273041 554270672 /nfs/dbraw/zinc/27/06/72/554270672.db2.gz JWLAITPGPQYTEY-LAGGOHLNSA-N 0 0 538.935 5.296 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100299492 554289918 /nfs/dbraw/zinc/28/99/18/554289918.db2.gz PEKOFLIKKVTUAB-BHGWPJFGSA-N 0 0 573.658 7.242 40 10 KKCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cn(-c5ccccc5)nc4-c4ccccc4)C3=N)S2)c1 ZINC000041074332 554291959 /nfs/dbraw/zinc/29/19/59/554291959.db2.gz UCLNCZZQDQWBFY-XHKDLHGUSA-N 0 0 518.602 5.546 40 10 KKCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041074393 554292011 /nfs/dbraw/zinc/29/20/11/554292011.db2.gz ALRBNDHTUATIGH-MRLPPCEWSA-N 0 0 500.893 5.374 40 10 KKCBRN C/C=C/c1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1SCCSc1ccc(C)c(C)c1 ZINC000041074303 554292037 /nfs/dbraw/zinc/29/20/37/554292037.db2.gz BJWBXNPOBSTLBR-BOLSOQJHSA-N 0 0 521.733 7.006 40 10 KKCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100304736 554293156 /nfs/dbraw/zinc/29/31/56/554293156.db2.gz NWHYMMMHXPNRHE-PRLWALMFSA-N 0 0 560.119 5.593 40 10 KKCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000041083451 554293953 /nfs/dbraw/zinc/29/39/53/554293953.db2.gz IOKAZFFJLVNRAV-ADZLKVMLSA-N 0 0 513.019 5.534 40 10 KKCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000041108246 554295281 /nfs/dbraw/zinc/29/52/81/554295281.db2.gz UJZCAGQQMUVPRU-ZKNSXIRRSA-N 0 0 501.589 5.067 40 10 KKCBRN CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000041108463 554295536 /nfs/dbraw/zinc/29/55/36/554295536.db2.gz ISGYYCGQEIAHCB-NVOZUQLISA-N 0 0 524.668 5.490 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OC ZINC000100319650 554304215 /nfs/dbraw/zinc/30/42/15/554304215.db2.gz OLGKYWFONKHWJZ-HZHRSRAPSA-N 0 0 571.427 6.511 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100323389 554307132 /nfs/dbraw/zinc/30/71/32/554307132.db2.gz ISYUSUACHSMTDJ-FYJGNVAPSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000100323498 554307193 /nfs/dbraw/zinc/30/71/93/554307193.db2.gz GZQSBGKSURAITB-FYJGNVAPSA-N 0 0 577.440 6.424 40 10 KKCBRN COc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000100332865 554315394 /nfs/dbraw/zinc/31/53/94/554315394.db2.gz ITZYMLGZURDLRM-XIFFEERXSA-N 0 0 552.719 6.004 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)SC2=S)cc1 ZINC000100339039 554323885 /nfs/dbraw/zinc/32/38/85/554323885.db2.gz ROZJTCFFWZHBHC-BUVRLJJBSA-N 0 0 604.975 7.885 40 10 KKCBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000100341700 554326293 /nfs/dbraw/zinc/32/62/93/554326293.db2.gz AESBJRUHTHGRCU-XDHOZWIPSA-N 0 0 599.468 5.046 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000100343285 554329307 /nfs/dbraw/zinc/32/93/07/554329307.db2.gz ULNCSYNQXDWKCD-ZVBGSRNCSA-N 0 0 526.272 7.944 40 10 KKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000100348694 554330871 /nfs/dbraw/zinc/33/08/71/554330871.db2.gz RVSZQRHMSWEPEL-QNEJGDQOSA-N 0 0 558.978 7.562 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100362143 554346307 /nfs/dbraw/zinc/34/63/07/554346307.db2.gz YQFRWTZVCFSNAW-LGJNPRDNSA-N 0 0 606.519 7.324 40 10 KKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(I)c4)ccc3o2)cc1 ZINC000100381542 554363420 /nfs/dbraw/zinc/36/34/20/554363420.db2.gz DQXQXYZKKXPNBZ-UHFFFAOYSA-N 0 0 570.456 6.072 40 10 KKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000058822261 554365283 /nfs/dbraw/zinc/36/52/83/554365283.db2.gz PPHLFXHUTITNNC-CIAFOILYSA-N 0 0 516.222 7.141 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847726 554367021 /nfs/dbraw/zinc/36/70/21/554367021.db2.gz YSAAPORHNFDDCP-WZOHSFFVSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847665 554367107 /nfs/dbraw/zinc/36/71/07/554367107.db2.gz YMRUGRBSYYBFFK-OSWQYVSFSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847926 554367308 /nfs/dbraw/zinc/36/73/08/554367308.db2.gz CWRFUAGVGXPUSN-VKIDHGPPSA-N 0 0 511.043 6.293 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847864 554367444 /nfs/dbraw/zinc/36/74/44/554367444.db2.gz NMUOBADGZJFFDC-PPJWLVRDSA-N 0 0 515.462 7.019 40 10 KKCBRN O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848297 554367613 /nfs/dbraw/zinc/36/76/13/554367613.db2.gz FKHBVACMJNKRFU-GLDPYIMESA-N 0 0 515.860 6.730 40 10 KKCBRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1Cl ZINC000058848259 554367653 /nfs/dbraw/zinc/36/76/53/554367653.db2.gz HLHHKFMPLLWQNJ-CEYNDMKZSA-N 0 0 518.988 7.295 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000058848744 554368350 /nfs/dbraw/zinc/36/83/50/554368350.db2.gz UGGUZSFWQXQNCE-CEYNDMKZSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058848933 554368359 /nfs/dbraw/zinc/36/83/59/554368359.db2.gz PHNMZGUEGPPFLR-QLODZENZSA-N 0 0 501.435 6.629 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c(OC)c1 ZINC000058849275 554368816 /nfs/dbraw/zinc/36/88/16/554368816.db2.gz USHWMYJPHZIBKE-GTNJKRJXSA-N 0 0 522.623 5.348 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849169 554368865 /nfs/dbraw/zinc/36/88/65/554368865.db2.gz WPUBDTFJRNDYGU-CTVOUCONSA-N 0 0 504.652 6.500 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1OC ZINC000058849590 554368987 /nfs/dbraw/zinc/36/89/87/554368987.db2.gz ZTCZWQXOSAIERW-CTVOUCONSA-N 0 0 518.679 6.629 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850007 554369409 /nfs/dbraw/zinc/36/94/09/554369409.db2.gz WAYZVGGPDTWPAR-UZINWLIJSA-N 0 0 507.568 5.239 40 10 KKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850017 554369403 /nfs/dbraw/zinc/36/94/03/554369403.db2.gz LIYMIWPYEPUGOL-SGIRGMQISA-N 0 0 505.552 5.009 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000058865588 554370482 /nfs/dbraw/zinc/37/04/82/554370482.db2.gz YCJIZYPMHZFKSG-UHFFFAOYSA-N 0 0 521.791 5.834 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000100415075 554380537 /nfs/dbraw/zinc/38/05/37/554380537.db2.gz IXOYMYPAEHFQCB-HKBOAZHASA-N 0 0 571.210 5.451 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000059139031 554382887 /nfs/dbraw/zinc/38/28/87/554382887.db2.gz HDYYFXGJAALLTL-XIEYBQDHSA-N 0 0 509.993 6.639 40 10 KKCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc5ccccc54)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C ZINC000100416632 554384228 /nfs/dbraw/zinc/38/42/28/554384228.db2.gz RSUVJNZWVQTZBO-PVHODMMVSA-N 0 0 501.538 5.152 40 10 KKCBRN CN(C)c1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)c2ccc(Cl)cc2Cl)cc1 ZINC000100438184 554393375 /nfs/dbraw/zinc/39/33/75/554393375.db2.gz GYHLSULMDFGIHR-DEOSSOPVSA-N 0 0 558.466 5.755 40 10 KKCBRN O=C(Oc1ccccc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1)c1ccc(Cl)cc1 ZINC000100478170 554401528 /nfs/dbraw/zinc/40/15/28/554401528.db2.gz HHUFTCAGQNWZEO-XIEYBQDHSA-N 0 0 523.932 6.302 40 10 KKCBRN O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000059690722 554424684 /nfs/dbraw/zinc/42/46/84/554424684.db2.gz DFEBPECUBPPKQQ-PKAZHMFMSA-N 0 0 620.583 7.791 40 10 KKCBRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1 ZINC000059690817 554424694 /nfs/dbraw/zinc/42/46/94/554424694.db2.gz SBHODPDIHUHFQP-MNRBYUMSSA-N 0 0 532.669 7.372 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000059882379 554458107 /nfs/dbraw/zinc/45/81/07/554458107.db2.gz KZKQXEUHMWCDPN-UHFFFAOYSA-N 0 0 571.699 5.062 40 10 KKCBRN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000100894181 554513397 /nfs/dbraw/zinc/51/33/97/554513397.db2.gz SMZSZPCMUXBFCY-UHFFFAOYSA-N 0 0 560.632 6.260 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000100946854 554534870 /nfs/dbraw/zinc/53/48/70/554534870.db2.gz TVLUFOMOKGTVSB-OGMUYLFESA-N 0 0 548.111 6.380 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000100955977 554539318 /nfs/dbraw/zinc/53/93/18/554539318.db2.gz KKMIVKADIIQVDF-UHFFFAOYSA-N 0 0 611.492 7.319 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000100967443 554543292 /nfs/dbraw/zinc/54/32/92/554543292.db2.gz BPDWGKFTYWVDJJ-MYYYXRDXSA-N 0 0 526.079 6.728 40 10 KKCBRN COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000100994698 554550612 /nfs/dbraw/zinc/55/06/12/554550612.db2.gz TUCTXWKFGAEDHZ-UZHQLRPZSA-N 0 0 539.462 5.993 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccccc3CC)C2=O)SC1=S ZINC000101002390 554552927 /nfs/dbraw/zinc/55/29/27/554552927.db2.gz NMZMSMPQACZILC-WCWDXBQESA-N 0 0 612.824 5.101 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000101003486 554553376 /nfs/dbraw/zinc/55/33/76/554553376.db2.gz BZIZRZYOZPVRTR-HZHRSRAPSA-N 0 0 523.104 7.151 40 10 KKCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000101006528 554554208 /nfs/dbraw/zinc/55/42/08/554554208.db2.gz KRXSGRGLHNQCST-KQWNVCNZSA-N 0 0 556.178 7.096 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1OC ZINC000101006805 554554316 /nfs/dbraw/zinc/55/43/16/554554316.db2.gz PNMUETHOISLSDT-NHDPSOOVSA-N 0 0 573.951 7.064 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000101006638 554554367 /nfs/dbraw/zinc/55/43/67/554554367.db2.gz PSGBLTAVRQBJJZ-MOSHPQCFSA-N 0 0 543.032 6.768 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1OC ZINC000101006869 554554538 /nfs/dbraw/zinc/55/45/38/554554538.db2.gz RUSANYDJEHTXGB-IWIPYMOSSA-N 0 0 602.203 6.805 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1OC ZINC000101006949 554554599 /nfs/dbraw/zinc/55/45/99/554554599.db2.gz VMKFNGSMUNSMFQ-PLRJNAJWSA-N 0 0 540.751 6.293 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC ZINC000101006879 554554612 /nfs/dbraw/zinc/55/46/12/554554612.db2.gz WJSNGNJWHAUEOG-QNGOZBTKSA-N 0 0 573.762 5.143 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1Cl ZINC000101006981 554554800 /nfs/dbraw/zinc/55/48/00/554554800.db2.gz HGBIHZMIEVFIDH-UNOMPAQXSA-N 0 0 523.463 6.122 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000101007006 554554811 /nfs/dbraw/zinc/55/48/11/554554811.db2.gz ZESYUMLMNHSUHY-ITYLOYPMSA-N 0 0 530.671 6.483 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 ZINC000101007164 554554966 /nfs/dbraw/zinc/55/49/66/554554966.db2.gz OKGAGSUSOSDUAK-ULJHMMPZSA-N 0 0 579.769 6.229 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000101007125 554554999 /nfs/dbraw/zinc/55/49/99/554554999.db2.gz DVLAOWUTKLQOJM-HKWRFOASSA-N 0 0 594.496 5.478 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000101007228 554555186 /nfs/dbraw/zinc/55/51/86/554555186.db2.gz GDRQZFKNUVVXOG-ONUIUJJFSA-N 0 0 609.194 7.718 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000101007315 554555189 /nfs/dbraw/zinc/55/51/89/554555189.db2.gz JBUUVLNAPKNDNU-JCMHNJIXSA-N 0 0 576.596 7.441 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1=O ZINC000101007915 554555898 /nfs/dbraw/zinc/55/58/98/554555898.db2.gz RRBQZMSVMOBHPU-UXEQUZMNSA-N 0 0 535.115 7.317 40 10 KKCBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101071352 554575739 /nfs/dbraw/zinc/57/57/39/554575739.db2.gz SUHZHLNMQOVXHI-UODIDJSMSA-N 0 0 540.457 6.498 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000101090188 554581634 /nfs/dbraw/zinc/58/16/34/554581634.db2.gz QCUUHOIPXITWDN-SSDVNMTOSA-N 0 0 591.892 7.004 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000101532327 554794754 /nfs/dbraw/zinc/79/47/54/554794754.db2.gz RVDUQMKBFLBEOP-HMAPJEAMSA-N 0 0 534.410 5.671 40 10 KKCBRN CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101545444 554795938 /nfs/dbraw/zinc/79/59/38/554795938.db2.gz VOTPFNDFFDWDFZ-PFBJBMPXSA-N 0 0 555.428 5.430 40 10 KKCBRN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(F)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000101598134 554803672 /nfs/dbraw/zinc/80/36/72/554803672.db2.gz JOQOPTGQLOFDFJ-QPWMFTQFSA-N 0 0 557.577 6.067 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101601994 554804265 /nfs/dbraw/zinc/80/42/65/554804265.db2.gz OGCQSQSXOXUTFV-SNNLMFDCSA-N 0 0 572.630 6.694 40 10 KKCBRN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000101728281 554832978 /nfs/dbraw/zinc/83/29/78/554832978.db2.gz VVKOCEUFACTXBF-VCHYOVAHSA-N 0 0 560.072 5.573 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc54)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000102129843 554884679 /nfs/dbraw/zinc/88/46/79/554884679.db2.gz WCGMKTNSCOPKIV-LMBBUSAASA-N 0 0 603.744 5.597 40 10 KKCBRN N=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000102470806 554936408 /nfs/dbraw/zinc/93/64/08/554936408.db2.gz OCRRVSXZLWNUMC-HPVPFQDJSA-N 0 0 536.491 6.710 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102550242 554961353 /nfs/dbraw/zinc/96/13/53/554961353.db2.gz QLCRHLPOVXWDOY-ULNSLHSMSA-N 0 0 582.077 6.735 40 10 KKCBRN Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000102631023 554989596 /nfs/dbraw/zinc/98/95/96/554989596.db2.gz XCYVILKUOIUPNR-OTAMKGJRSA-N 0 0 520.873 6.823 40 10 KKCBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000102675870 555004141 /nfs/dbraw/zinc/00/41/41/555004141.db2.gz UWNISXSIGOHIFQ-HDRJOOLBSA-N 0 0 547.724 8.010 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1C(F)(F)F)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000102677215 555004349 /nfs/dbraw/zinc/00/43/49/555004349.db2.gz ZWLPHQWKKCSQQB-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102869761 555099483 /nfs/dbraw/zinc/09/94/83/555099483.db2.gz BKHGNHVFYZYKDP-IDZRBWSNSA-N 0 0 598.457 7.457 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102887315 555118929 /nfs/dbraw/zinc/11/89/29/555118929.db2.gz WYAISEWCHVUIQY-AYQJTBPPSA-N 0 0 594.038 6.813 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102890546 555125770 /nfs/dbraw/zinc/12/57/70/555125770.db2.gz VOSIZXWBENCUJT-AYQJTBPPSA-N 0 0 559.593 6.159 40 10 KKCBRN O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102891407 555127046 /nfs/dbraw/zinc/12/70/46/555127046.db2.gz PFDFOMFRJAVKCA-MPFGFTFXSA-N 0 0 551.976 6.935 40 10 KKCBRN COc1cccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102892333 555128355 /nfs/dbraw/zinc/12/83/55/555128355.db2.gz IPKLJWGVODPTGQ-NGDRWEMDSA-N 0 0 564.012 6.804 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000102893103 555129951 /nfs/dbraw/zinc/12/99/51/555129951.db2.gz LJAAUILCCWGXDI-XWHIBYANSA-N 0 0 589.619 6.168 40 10 KKCBRN COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102893636 555131274 /nfs/dbraw/zinc/13/12/74/555131274.db2.gz FBNXZXYRJJRPRL-PVHODMMVSA-N 0 0 586.084 6.414 40 10 KKCBRN COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896891 555137290 /nfs/dbraw/zinc/13/72/90/555137290.db2.gz PZOLZTXIMPXAJR-RTOKGZNSSA-N 0 0 590.075 6.982 40 10 KKCBRN CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000103075257 555254707 /nfs/dbraw/zinc/25/47/07/555254707.db2.gz XJVWZSUDCMTEDP-PGFDLCFQSA-N 0 0 559.179 7.387 40 10 KKCBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103519218 555424605 /nfs/dbraw/zinc/42/46/05/555424605.db2.gz RPGAGWDVVYGSRA-XWHIBYANSA-N 0 0 589.619 6.168 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103520129 555425781 /nfs/dbraw/zinc/42/57/81/555425781.db2.gz SZMJHZSWUXAOTM-IDZRBWSNSA-N 0 0 580.467 7.318 40 10 KKCBRN COc1cccc(C(=O)[C@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103557220 555446596 /nfs/dbraw/zinc/44/65/96/555446596.db2.gz AZOGBFNMGYCDSM-WRVRXEDSSA-N 0 0 588.103 7.788 40 10 KKCBRN COc1ccc([C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103558452 555447223 /nfs/dbraw/zinc/44/72/23/555447223.db2.gz JTRSKHNHDZNKBW-DYIKCSJPSA-N 0 0 556.574 5.920 40 10 KKCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000103564974 555450188 /nfs/dbraw/zinc/45/01/88/555450188.db2.gz IQANUYULVHQPJV-ZKZDLDBDSA-N 0 0 533.591 5.764 40 10 KKCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=N)S1 ZINC000103604616 555454549 /nfs/dbraw/zinc/45/45/49/555454549.db2.gz CKXYMQHJLUKFLQ-KRKDOYDSSA-N 0 0 520.958 5.045 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1O ZINC000103758995 555470886 /nfs/dbraw/zinc/47/08/86/555470886.db2.gz MDWDAIYXBRAHCL-UHFFFAOYSA-N 0 0 521.367 5.364 40 10 KKCBRN CCOc1c(I)cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000103760389 555471108 /nfs/dbraw/zinc/47/11/08/555471108.db2.gz OZALIHQUVWOVKM-UHFFFAOYSA-N 0 0 612.489 6.064 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O ZINC000103760338 555471132 /nfs/dbraw/zinc/47/11/32/555471132.db2.gz AFLZWVRKBANPHQ-UHFFFAOYSA-N 0 0 584.435 5.371 40 10 KKCBRN CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000103761591 555471339 /nfs/dbraw/zinc/47/13/39/555471339.db2.gz WUJHEFBBSXCHLJ-UHFFFAOYSA-N 0 0 556.688 6.462 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103761650 555471621 /nfs/dbraw/zinc/47/16/21/555471621.db2.gz IIZOFZOCSUJFSJ-UHFFFAOYSA-N 0 0 594.699 7.104 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790005 555479627 /nfs/dbraw/zinc/47/96/27/555479627.db2.gz KEKBWLQXUPCSEY-MIUGUJGPSA-N 0 0 574.146 5.983 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790057 555479772 /nfs/dbraw/zinc/47/97/72/555479772.db2.gz ATZQWTOJJCQGEW-GWRYVSOYSA-N 0 0 583.710 5.058 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=CC3=CC(=NNc4ccccc4)C=CC3=O)sc2=N1 ZINC000103827689 571362070 /nfs/dbraw/zinc/36/20/70/571362070.db2.gz OHKGLFKXNSJCKW-GBYBJYLOSA-N 0 0 612.708 5.717 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000103855091 571365902 /nfs/dbraw/zinc/36/59/02/571365902.db2.gz XLZAAPAEZWZUKQ-WPWMEQJKSA-N 0 0 601.444 6.591 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000103855519 571365986 /nfs/dbraw/zinc/36/59/86/571365986.db2.gz HMVMLPRXWWIKJW-JJIBRWJFSA-N 0 0 523.501 5.755 40 10 KKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000103855344 571366005 /nfs/dbraw/zinc/36/60/05/571366005.db2.gz FEBWFTAWKSIBAY-PCLIKHOPSA-N 0 0 554.990 6.548 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855459 571366047 /nfs/dbraw/zinc/36/60/47/571366047.db2.gz XAQIRPDKXUWSSI-FYJGNVAPSA-N 0 0 562.365 7.053 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000103857257 571366392 /nfs/dbraw/zinc/36/63/92/571366392.db2.gz HIRSWXWXNHFQFZ-UHFFFAOYSA-N 0 0 539.451 5.179 40 10 KKCBRN CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[nH]c1N=Nc1ccc(Br)cc1 ZINC000104182367 571376067 /nfs/dbraw/zinc/37/60/67/571376067.db2.gz SXIGKALKFGSRBE-ZQZMJUSDSA-N 0 0 519.201 6.444 40 10 KKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000103902111 571369070 /nfs/dbraw/zinc/36/90/70/571369070.db2.gz NYSWFTATMXFXLL-WYEJZRMESA-N 0 0 561.303 8.179 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ccccc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000103904433 571369317 /nfs/dbraw/zinc/36/93/17/571369317.db2.gz AZPLFGRGPIHQRE-OWXSRONMSA-N 0 0 624.582 5.371 40 10 KKCBRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(C)cc1 ZINC000103909004 571369427 /nfs/dbraw/zinc/36/94/27/571369427.db2.gz UCNCWMYVZVDLIQ-SAGCDJCOSA-N 0 0 562.138 6.688 40 10 KKCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2cc(Cl)ccc2Cl)cc1 ZINC000103922364 571369843 /nfs/dbraw/zinc/36/98/43/571369843.db2.gz ZSMAMEVMPUERSF-HMAPJEAMSA-N 0 0 509.418 6.749 40 10 KKCBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000104087435 571373436 /nfs/dbraw/zinc/37/34/36/571373436.db2.gz PYHUVKJWMBMZIF-LSMIHOHGSA-N 0 0 527.536 5.400 40 10 KKCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1 ZINC000104112976 571374140 /nfs/dbraw/zinc/37/41/40/571374140.db2.gz RBVMLNMCVYVJDF-XGMUGIETSA-N 0 0 621.727 5.857 40 10 KKCBRN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@H](NC(=O)C2CCCC2)C(Cl)(Cl)Cl)c(C)c1 ZINC000104130461 571374498 /nfs/dbraw/zinc/37/44/98/571374498.db2.gz CSOFNBXBYDLHKF-NUUKTPGXSA-N 0 0 526.921 7.008 40 10 KKCBRN CCOc1ccc(NN=C2C(=O)N(c3ccc(Br)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000104204577 571376890 /nfs/dbraw/zinc/37/68/90/571376890.db2.gz BZFAWLOZPCEHRR-DQSJHHFOSA-N 0 0 553.438 6.648 40 10 KKCBRN COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000104288635 571378309 /nfs/dbraw/zinc/37/83/09/571378309.db2.gz JKPJITBEAVMWLZ-KNWKATPGSA-N 0 0 529.600 7.619 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(N(Cc5ccc(C)cc5)S(C)(=O)=O)ccc4s3)CC2)cc1 ZINC000104403555 571380212 /nfs/dbraw/zinc/38/02/12/571380212.db2.gz QACHGZBVPYFVFN-UHFFFAOYSA-N 0 0 549.718 5.147 40 10 KKCBRN CCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000104404472 571380594 /nfs/dbraw/zinc/38/05/94/571380594.db2.gz CHEASHGITWZRNX-UHFFFAOYSA-N 0 0 614.587 5.850 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645993 571381780 /nfs/dbraw/zinc/38/17/80/571381780.db2.gz QPYCGMZDILKSMY-ISCCLHIJSA-N 0 0 539.495 6.702 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000104646641 571381976 /nfs/dbraw/zinc/38/19/76/571381976.db2.gz HHFNEXPHZLXVMX-ATLLOTDBSA-N 0 0 545.886 6.738 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647009 571382065 /nfs/dbraw/zinc/38/20/65/571382065.db2.gz QPCMPDBDOVGAKD-TWUWCHPWSA-N 0 0 559.515 7.418 40 10 KKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647304 571382167 /nfs/dbraw/zinc/38/21/67/571382167.db2.gz RZRKFMLPHJTVEB-XLNZFTOWSA-N 0 0 516.406 6.529 40 10 KKCBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647224 571382186 /nfs/dbraw/zinc/38/21/86/571382186.db2.gz WKABFYLXIKSRCN-SRGWNRLKSA-N 0 0 550.851 7.182 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647266 571382196 /nfs/dbraw/zinc/38/21/96/571382196.db2.gz RZTAGVVKLMOTFZ-ANSQWYIGSA-N 0 0 531.461 6.638 40 10 KKCBRN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647240 571382237 /nfs/dbraw/zinc/38/22/37/571382237.db2.gz HGWIJLRZAPFJKJ-XLNZFTOWSA-N 0 0 550.305 7.383 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647956 571382296 /nfs/dbraw/zinc/38/22/96/571382296.db2.gz SRNLZKGLUBLZHE-UNVFRBQDSA-N 0 0 559.913 7.047 40 10 KKCBRN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647969 571382345 /nfs/dbraw/zinc/38/23/45/571382345.db2.gz QMLHQKWOJBNPST-QFWOEDSFSA-N 0 0 539.097 7.073 40 10 KKCBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647618 571382380 /nfs/dbraw/zinc/38/23/80/571382380.db2.gz YFRXUSWHNIDTEP-PYYUSEHKSA-N 0 0 602.112 7.763 40 10 KKCBRN O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648226 571382454 /nfs/dbraw/zinc/38/24/54/571382454.db2.gz DEWBJVHSQWPPHM-YZUZCNPQSA-N 0 0 560.311 6.839 40 10 KKCBRN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648259 571382469 /nfs/dbraw/zinc/38/24/69/571382469.db2.gz MUXRQIOTYBVWLL-UZINWLIJSA-N 0 0 541.467 6.094 40 10 KKCBRN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648408 571382479 /nfs/dbraw/zinc/38/24/79/571382479.db2.gz PMSDIACQVZLAKE-YZUZCNPQSA-N 0 0 549.412 7.095 40 10 KKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648487 571382619 /nfs/dbraw/zinc/38/26/19/571382619.db2.gz WGNKRGZCSCQCKX-DFIYOIEZSA-N 0 0 579.438 7.104 40 10 KKCBRN COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648631 571382631 /nfs/dbraw/zinc/38/26/31/571382631.db2.gz MXYGIOGXUXMUQW-WZOHSFFVSA-N 0 0 534.987 6.995 40 10 KKCBRN COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648623 571382680 /nfs/dbraw/zinc/38/26/80/571382680.db2.gz BITFOQKXLJPCJM-ATLLOTDBSA-N 0 0 534.987 6.995 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649092 571382773 /nfs/dbraw/zinc/38/27/73/571382773.db2.gz HCCSYAYUBFDDHS-LZCXECNNSA-N 0 0 525.468 6.475 40 10 KKCBRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104648966 571382793 /nfs/dbraw/zinc/38/27/93/571382793.db2.gz UEUMIUIHJORHCM-ANSQWYIGSA-N 0 0 555.450 5.814 40 10 KKCBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104648815 571382798 /nfs/dbraw/zinc/38/27/98/571382798.db2.gz AWBPXZFTOPBRRY-ANSQWYIGSA-N 0 0 555.450 5.814 40 10 KKCBRN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000104649132 571382842 /nfs/dbraw/zinc/38/28/42/571382842.db2.gz CWZJHTXLVOQHJK-BALWLHIASA-N 0 0 536.650 5.738 40 10 KKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)Nc5cccc([N+](=O)[O-])c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104650173 571383155 /nfs/dbraw/zinc/38/31/55/571383155.db2.gz MCHSCYSOBPCONY-WTNLLYQRSA-N 0 0 598.637 6.709 40 10 KKCBRN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104650280 571383289 /nfs/dbraw/zinc/38/32/89/571383289.db2.gz ANCLSTXGCVMNAU-QFWOEDSFSA-N 0 0 527.602 6.384 40 10 KKCBRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650400 571383321 /nfs/dbraw/zinc/38/33/21/571383321.db2.gz NTAALSQOZIMOBB-OWWKKJFISA-N 0 0 523.844 7.413 40 10 KKCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104655100 571383519 /nfs/dbraw/zinc/38/35/19/571383519.db2.gz LUWQNQZOJGJEOO-UHFFFAOYSA-N 0 0 563.313 5.210 40 10 KKCBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(-c7ccccc7)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657334 571384313 /nfs/dbraw/zinc/38/43/13/571384313.db2.gz JDRRRMJFIMKAGL-GDBTWUMFSA-N 0 0 619.790 7.402 40 10 KKCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000104660510 571385007 /nfs/dbraw/zinc/38/50/07/571385007.db2.gz YRRSBRPAHONVSP-UHFFFAOYSA-N 0 0 581.213 5.843 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)sc2=N1 ZINC000104677091 571385341 /nfs/dbraw/zinc/38/53/41/571385341.db2.gz SUKJVTHVVGERQP-WOSHRIRTSA-N 0 0 585.745 6.249 40 10 KKCBRN CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S ZINC000104881716 571386986 /nfs/dbraw/zinc/38/69/86/571386986.db2.gz RHYRKHPTGSXUMA-LDADJPATSA-N 0 0 546.874 5.173 40 10 KKCBRN COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 ZINC000105303626 571392794 /nfs/dbraw/zinc/39/27/94/571392794.db2.gz JFRJBPXVIJFLFZ-WEVVVXLNSA-N 0 0 561.447 5.407 40 10 KKCBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000105307473 571394645 /nfs/dbraw/zinc/39/46/45/571394645.db2.gz LXKFHHQFCFYVCN-UKTHLTGXSA-N 0 0 555.870 7.664 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000105333529 571403332 /nfs/dbraw/zinc/40/33/32/571403332.db2.gz YJAPWRLDKQCUOE-UHFFFAOYSA-N 0 0 552.627 6.552 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000105498801 571405943 /nfs/dbraw/zinc/40/59/43/571405943.db2.gz IMGZYJGJJJEADD-YWEMJKAQSA-N 0 0 603.744 5.881 40 10 KKCBRN O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000105647822 571408058 /nfs/dbraw/zinc/40/80/58/571408058.db2.gz UDIHHFPKMHWYDY-WOJGMQOQSA-N 0 0 523.804 6.610 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499258 571406052 /nfs/dbraw/zinc/40/60/52/571406052.db2.gz MHJRGEZSYKDSNN-BIWBSIMWSA-N 0 0 622.610 5.690 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3OC)SC2=S)cc1 ZINC000105668262 571408210 /nfs/dbraw/zinc/40/82/10/571408210.db2.gz KXLLIPCRIXMVNO-OVCLIPMQSA-N 0 0 515.248 5.635 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000105660520 571408148 /nfs/dbraw/zinc/40/81/48/571408148.db2.gz GXUYAMXUOJBGRV-VBNMEBLOSA-N 0 0 510.464 5.961 40 10 KKCBRN O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000105669127 571408195 /nfs/dbraw/zinc/40/81/95/571408195.db2.gz YXNQGQVUPRNJFM-DNTJNYDQSA-N 0 0 541.950 5.781 40 10 KKCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(Cc5ccc(Cl)cc5)C4=O)c3C)cc2)cc1 ZINC000106684520 571413667 /nfs/dbraw/zinc/41/36/67/571413667.db2.gz PHGAABBSPKZAAE-QRQIAZFYSA-N 0 0 545.060 7.785 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000106688261 571413892 /nfs/dbraw/zinc/41/38/92/571413892.db2.gz BFMOCDXFVFLMCU-MYYYXRDXSA-N 0 0 518.595 5.075 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000106689495 571413965 /nfs/dbraw/zinc/41/39/65/571413965.db2.gz BBTZDBGHLFWPNP-YVNNLAQVSA-N 0 0 564.332 8.017 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000106696007 571414117 /nfs/dbraw/zinc/41/41/17/571414117.db2.gz MYHNTGWSPDGTKN-YUMHPJSZSA-N 0 0 559.644 7.529 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000106699050 571414332 /nfs/dbraw/zinc/41/43/32/571414332.db2.gz WUTOKQZEAAUOAR-WNFQYIGGSA-N 0 0 526.272 7.944 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106700395 571414514 /nfs/dbraw/zinc/41/45/14/571414514.db2.gz HCQKCLRWYILKQF-PKAZHMFMSA-N 0 0 505.083 8.032 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000106701710 571414579 /nfs/dbraw/zinc/41/45/79/571414579.db2.gz GZIAJWQUSMEEIW-QRVIBDJDSA-N 0 0 542.442 6.552 40 10 KKCBRN Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000106739903 571417182 /nfs/dbraw/zinc/41/71/82/571417182.db2.gz DVVZMBPESIDIDJ-FBHDLOMBSA-N 0 0 508.924 7.142 40 10 KKCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)c2C)cc1 ZINC000106751967 571417554 /nfs/dbraw/zinc/41/75/54/571417554.db2.gz KOWWUFZRJVZJDN-XKZIYDEJSA-N 0 0 544.414 5.944 40 10 KKCBRN O=C1C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000107565826 571420341 /nfs/dbraw/zinc/42/03/41/571420341.db2.gz RMSLDRFHHUZKDU-UHFFFAOYSA-N 0 0 587.470 6.916 40 10 KKCBRN O=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000108259848 571422939 /nfs/dbraw/zinc/42/29/39/571422939.db2.gz SGLJRFCIJJLHGE-UHFFFAOYSA-N 0 0 587.470 6.916 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Br ZINC000223097650 571430697 /nfs/dbraw/zinc/43/06/97/571430697.db2.gz UJJNEJPTPBESOE-JWQCQUIFSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Br)c1 ZINC000223097895 571430797 /nfs/dbraw/zinc/43/07/97/571430797.db2.gz MOPSHYSRVGVJNB-JWQCQUIFSA-N 0 0 509.517 6.557 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223098248 571430805 /nfs/dbraw/zinc/43/08/05/571430805.db2.gz QQIIJNAPDRSJSD-LOSJGSFVSA-N 0 0 509.517 6.557 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100528 571431226 /nfs/dbraw/zinc/43/12/26/571431226.db2.gz LUHXYSDNVMKBDE-URLMMPGGSA-N 0 0 501.744 6.641 40 10 KKCBRN Cc1nc(N(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ccccc43)cc2)c(C)n1N ZINC000110548250 571431527 /nfs/dbraw/zinc/43/15/27/571431527.db2.gz NEUKGUWAROXYFB-FIIJMFFSSA-N 0 0 632.787 6.687 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000111494440 571433371 /nfs/dbraw/zinc/43/33/71/571433371.db2.gz BNMMQKOWJGKDMO-YNMQQHPQSA-N 0 0 620.569 5.367 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223132015 571434637 /nfs/dbraw/zinc/43/46/37/571434637.db2.gz FCKODONNFKPYKQ-UHFFFAOYSA-N 0 0 500.064 5.006 40 10 KKCBRN O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830877 571442378 /nfs/dbraw/zinc/44/23/78/571442378.db2.gz JGPKWKRFTQOLHK-JAIQZWGSSA-N 0 0 524.492 5.609 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113830893 571442415 /nfs/dbraw/zinc/44/24/15/571442415.db2.gz DWXVDPIYHOZGDR-CIAFOILYSA-N 0 0 502.444 6.987 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113830858 571442420 /nfs/dbraw/zinc/44/24/20/571442420.db2.gz COKKSGZQPIZSMY-WSDLNYQXSA-N 0 0 530.440 6.582 40 10 KKCBRN COc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113831009 571442433 /nfs/dbraw/zinc/44/24/33/571442433.db2.gz OIUQQSLGSSGRNS-CIAFOILYSA-N 0 0 508.492 7.115 40 10 KKCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000113830728 571442453 /nfs/dbraw/zinc/44/24/53/571442453.db2.gz VJJVRMXMJSOHFU-UHFFFAOYSA-N 0 0 589.500 7.329 40 10 KKCBRN O=C1/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113833644 571442582 /nfs/dbraw/zinc/44/25/82/571442582.db2.gz LYUWXUOCNUOZHH-AFUMVMLFSA-N 0 0 600.481 8.606 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113833595 571442589 /nfs/dbraw/zinc/44/25/89/571442589.db2.gz YXTWCNIQUFIBEO-OEAKJJBVSA-N 0 0 522.519 7.505 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000113833793 571442607 /nfs/dbraw/zinc/44/26/07/571442607.db2.gz IUNFFPLJPKQRRZ-FSJBWODESA-N 0 0 529.008 7.768 40 10 KKCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113834179 571442754 /nfs/dbraw/zinc/44/27/54/571442754.db2.gz SKPGLHDRAPTLAD-YDZHTSKRSA-N 0 0 510.568 6.117 40 10 KKCBRN O=C1C(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000113834654 571442763 /nfs/dbraw/zinc/44/27/63/571442763.db2.gz WCOGNKNAFDDGNA-UHFFFAOYSA-N 0 0 508.574 6.153 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113834605 571442786 /nfs/dbraw/zinc/44/27/86/571442786.db2.gz IOFNMYGGDJDZRJ-UHFFFAOYSA-N 0 0 599.506 6.785 40 10 KKCBRN O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000113838548 571442818 /nfs/dbraw/zinc/44/28/18/571442818.db2.gz QUAQAZZCCOOXQL-FSJBWODESA-N 0 0 529.901 8.056 40 10 KKCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)cc1 ZINC000113838640 571442821 /nfs/dbraw/zinc/44/28/21/571442821.db2.gz UOZOUQLECAHSPJ-ZMOGYAJESA-N 0 0 508.590 7.423 40 10 KKCBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)[C@]12C ZINC000118933530 571447687 /nfs/dbraw/zinc/44/76/87/571447687.db2.gz ONMZIPMOVQAMQO-ASDHNPBQSA-N 0 0 566.694 6.414 40 10 KKCBRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000138520287 571451333 /nfs/dbraw/zinc/45/13/33/571451333.db2.gz CXKACJPKJXXFBQ-UHFFFAOYSA-N 0 0 582.653 6.736 40 10 KKCBRN C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)c1ccccc1 ZINC000139030376 571452736 /nfs/dbraw/zinc/45/27/36/571452736.db2.gz GGHMXFFLBWSPNS-QFIPXVFZSA-N 0 0 510.590 6.162 40 10 KKCBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000142851689 571456058 /nfs/dbraw/zinc/45/60/58/571456058.db2.gz DFNCDNWMKGAXGF-ZJZHBOIVSA-N 0 0 521.686 5.174 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000144707256 571456478 /nfs/dbraw/zinc/45/64/78/571456478.db2.gz NKXJFSCEULKHFE-DSDJNCIMSA-N 0 0 524.491 6.351 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223307941 571458616 /nfs/dbraw/zinc/45/86/16/571458616.db2.gz GNAAZCGNKCFEDD-NWVWQQAFSA-N 0 0 500.590 5.659 40 10 KKCBRN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(I)c1OCCOc1ccc(C)c(C)c1 ZINC000150345095 571459809 /nfs/dbraw/zinc/45/98/09/571459809.db2.gz SVCFRDQDYMZCEK-NRIUBIMQSA-N 0 0 644.413 5.556 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223332695 571461695 /nfs/dbraw/zinc/46/16/95/571461695.db2.gz ZXYHJZKLZXNEQN-VSGBNLITSA-N 0 0 513.667 5.091 40 10 KKCBRN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000150352849 571462489 /nfs/dbraw/zinc/46/24/89/571462489.db2.gz JQICRDMZQYSAOB-MYKKPKGFSA-N 0 0 628.570 6.385 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223351315 571464477 /nfs/dbraw/zinc/46/44/77/571464477.db2.gz IMIWASOKAJELMJ-JWQCQUIFSA-N 0 0 503.584 5.172 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223371459 571467073 /nfs/dbraw/zinc/46/70/73/571467073.db2.gz JWWSIJYUKQAILW-UIOOFZCWSA-N 0 0 506.597 6.681 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223371665 571467093 /nfs/dbraw/zinc/46/70/93/571467093.db2.gz WQDFXCKKHFFNMA-KYJUHHDHSA-N 0 0 523.706 5.498 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3O)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000150386536 571469393 /nfs/dbraw/zinc/46/93/93/571469393.db2.gz LSFAQTSVAXEVKH-HYARGMPZSA-N 0 0 700.270 6.646 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000150386915 571469558 /nfs/dbraw/zinc/46/95/58/571469558.db2.gz PAFUICNONHPJFK-DHRITJCHSA-N 0 0 675.851 9.012 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223388475 571469908 /nfs/dbraw/zinc/46/99/08/571469908.db2.gz CFUGEUHNSXIRKR-IZZNHLLZSA-N 0 0 507.490 6.969 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000223390736 571470150 /nfs/dbraw/zinc/47/01/50/571470150.db2.gz AGGZESYOHZVUTL-RRPNLBNLSA-N 0 0 513.623 5.579 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223391594 571470330 /nfs/dbraw/zinc/47/03/30/571470330.db2.gz PXGAGHPZTXWXLH-SVBPBHIXSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223410062 571472634 /nfs/dbraw/zinc/47/26/34/571472634.db2.gz LYRQKHRXZWDFCF-RRPNLBNLSA-N 0 0 536.623 6.689 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150390827 571473072 /nfs/dbraw/zinc/47/30/72/571473072.db2.gz OOXGRXAWWXOZAM-YNMQQHPQSA-N 0 0 805.476 5.653 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1 ZINC000223418335 571473638 /nfs/dbraw/zinc/47/36/38/571473638.db2.gz QDSBAGISEBGTHM-JSOSNVBQSA-N 0 0 518.686 6.824 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223420819 571473993 /nfs/dbraw/zinc/47/39/93/571473993.db2.gz GVHUFXQQIORLTD-SVBPBHIXSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223420901 571474083 /nfs/dbraw/zinc/47/40/83/571474083.db2.gz GVHUFXQQIORLTD-RRPNLBNLSA-N 0 0 503.071 6.324 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1 ZINC000223420969 571474094 /nfs/dbraw/zinc/47/40/94/571474094.db2.gz GVHUFXQQIORLTD-KAYWLYCHSA-N 0 0 503.071 6.324 40 10 KKCBRN Nc1c(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)c3c2C(=O)c2ccccc2C3=O)ccc2c1C(=O)c1ccccc1C2=O ZINC000150392029 571474260 /nfs/dbraw/zinc/47/42/60/571474260.db2.gz NXJYCYCMVZPFCC-UHFFFAOYSA-N 0 0 736.696 5.682 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223424584 571474666 /nfs/dbraw/zinc/47/46/66/571474666.db2.gz OJMCCLRMKNLXMU-RRPNLBNLSA-N 0 0 537.516 6.977 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000223426140 571474819 /nfs/dbraw/zinc/47/48/19/571474819.db2.gz RLICEDWDADUCSQ-VSGBNLITSA-N 0 0 512.635 5.399 40 10 KKCBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223427163 571474956 /nfs/dbraw/zinc/47/49/56/571474956.db2.gz FFNDMDHDSITTRZ-VSGBNLITSA-N 0 0 543.649 5.587 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223440007 571476897 /nfs/dbraw/zinc/47/68/97/571476897.db2.gz AHPVSSYHUFIVRQ-UHFFFAOYSA-N 0 0 533.616 5.372 40 10 KKCBRN CC(C)COC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OCC(C)C)cc4)C3=O)SC2=S)cc1 ZINC000150399419 571477541 /nfs/dbraw/zinc/47/75/41/571477541.db2.gz VAVANEAFWMGWKJ-OCEACIFDSA-N 0 0 642.846 5.811 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223445035 571477638 /nfs/dbraw/zinc/47/76/38/571477638.db2.gz JZDFJTGJCOOBNS-IZLXSDGUSA-N 0 0 526.662 5.457 40 10 KKCBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405409 571479374 /nfs/dbraw/zinc/47/93/74/571479374.db2.gz MNYBEIKWMIRDJS-LQFQNGICSA-N 0 0 658.704 5.086 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Br)cc1 ZINC000223461680 571480166 /nfs/dbraw/zinc/48/01/66/571480166.db2.gz VDXOIHPGVQFVCZ-LOSJGSFVSA-N 0 0 518.484 5.819 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223464364 571480823 /nfs/dbraw/zinc/48/08/23/571480823.db2.gz ISZAPAGVLJMJFW-JWQCQUIFSA-N 0 0 508.478 6.364 40 10 KKCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)c1 ZINC000150408758 571481045 /nfs/dbraw/zinc/48/10/45/571481045.db2.gz MERHYUGBCSCNSI-AQPNWFMJSA-N 0 0 773.822 5.792 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224128630 571481976 /nfs/dbraw/zinc/48/19/76/571481976.db2.gz JHGWCQNTYKRIGY-NTQNKHNGSA-N 0 0 598.260 8.364 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224128366 571482033 /nfs/dbraw/zinc/48/20/33/571482033.db2.gz GRROYUDVQOYLTR-WADAGNOZSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224128167 571482041 /nfs/dbraw/zinc/48/20/41/571482041.db2.gz WZFASQQZJUXJHI-CKUCSLQLSA-N 0 0 638.203 8.821 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224129027 571482150 /nfs/dbraw/zinc/48/21/50/571482150.db2.gz FBJFEZBNKXIRET-WTEHXLFCSA-N 0 0 588.196 7.941 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000150409913 571482279 /nfs/dbraw/zinc/48/22/79/571482279.db2.gz NAGXZVSGNOTDDI-QURGRASLSA-N 0 0 689.640 6.341 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1Cl ZINC000224129425 571482315 /nfs/dbraw/zinc/48/23/15/571482315.db2.gz BFLBQNPYUAUWAY-WTEHXLFCSA-N 0 0 604.651 8.455 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(O)cc1 ZINC000224130875 571482735 /nfs/dbraw/zinc/48/27/35/571482735.db2.gz DDOOICAEZZAWFZ-BAVULBIOSA-N 0 0 586.205 7.508 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1C ZINC000224133358 571483157 /nfs/dbraw/zinc/48/31/57/571483157.db2.gz FLZBIWRDKRMRBN-LLPXPGLDSA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224133733 571483254 /nfs/dbraw/zinc/48/32/54/571483254.db2.gz LVCYGEKLCRNXNB-LPUGFPNISA-N 0 0 598.260 8.419 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224133786 571483370 /nfs/dbraw/zinc/48/33/70/571483370.db2.gz LVCYGEKLCRNXNB-ZJAIYSRASA-N 0 0 598.260 8.419 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000224134610 571483471 /nfs/dbraw/zinc/48/34/71/571483471.db2.gz VJVGAIGCLLECQZ-YWCASELZSA-N 0 0 645.229 7.719 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000150417166 571486097 /nfs/dbraw/zinc/48/60/97/571486097.db2.gz OIWBOSWVLXQCBK-NFYDWNOTSA-N 0 0 645.406 6.275 40 10 KKCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223495140 571486734 /nfs/dbraw/zinc/48/67/34/571486734.db2.gz PYHYBHRXNMRWIR-OYKKKHCWSA-N 0 0 505.640 5.781 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223494894 571486784 /nfs/dbraw/zinc/48/67/84/571486784.db2.gz BFSVERFXJJVFIT-JWQCQUIFSA-N 0 0 507.585 6.076 40 10 KKCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000150419492 571487027 /nfs/dbraw/zinc/48/70/27/571487027.db2.gz SSRKWKIXVKUNQF-MFOYZWKCSA-N 0 0 677.234 6.381 40 10 KKCBRN COC(=O)c1ccc(/C=C2/SC(N3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(Cl)cc5)SC4=S)CC3)=NC2=O)cc1 ZINC000150420130 571487208 /nfs/dbraw/zinc/48/72/08/571487208.db2.gz RCUSXSFGHURCPK-PEMGVQEXSA-N 0 0 683.277 5.703 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N2CCN(C(=O)CCCN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O ZINC000150420725 571487289 /nfs/dbraw/zinc/48/72/89/571487289.db2.gz CCAPLZXZLLMCJH-PXGQOMPFSA-N 0 0 731.003 6.523 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223500696 571487763 /nfs/dbraw/zinc/48/77/63/571487763.db2.gz MQGXSSSZQGYHAS-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223500430 571487789 /nfs/dbraw/zinc/48/77/89/571487789.db2.gz XUNDKGGODPYUGP-DQEYMECFSA-N 0 0 508.478 6.364 40 10 KKCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150424723 571489331 /nfs/dbraw/zinc/48/93/31/571489331.db2.gz SPVNQEBJUZLEKG-STBIYBPSSA-N 0 0 730.442 9.779 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000224166712 571489650 /nfs/dbraw/zinc/48/96/50/571489650.db2.gz HKHUJJOQOPVLDS-LOSJGSFVSA-N 0 0 503.469 6.429 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1OC ZINC000150425852 571490105 /nfs/dbraw/zinc/49/01/05/571490105.db2.gz BWRFZURVQHCBBI-JLPGSUDCSA-N 0 0 635.755 7.170 40 10 KKCBRN CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3CC)C2=O)SC1=S ZINC000150432335 571494067 /nfs/dbraw/zinc/49/40/67/571494067.db2.gz TWKMLFUNMWLWNO-OCEACIFDSA-N 0 0 640.878 5.881 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000150435321 571495275 /nfs/dbraw/zinc/49/52/75/571495275.db2.gz BNSWUFLGJPKIPU-FSJBWODESA-N 0 0 625.393 8.148 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208311 571497109 /nfs/dbraw/zinc/49/71/09/571497109.db2.gz KMXKONDUGOSPRF-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C ZINC000224208535 571497142 /nfs/dbraw/zinc/49/71/42/571497142.db2.gz CZTTVXXPZUKZKK-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Br)cc1 ZINC000223537368 571497435 /nfs/dbraw/zinc/49/74/35/571497435.db2.gz BLMFMOIORPCHQZ-DQEYMECFSA-N 0 0 518.484 5.819 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150442126 571498728 /nfs/dbraw/zinc/49/87/28/571498728.db2.gz GINFKLIRDMBEJR-UHFFFAOYSA-N 0 0 668.396 8.092 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000150444494 571499793 /nfs/dbraw/zinc/49/97/93/571499793.db2.gz QMGGOYFMFSUTAL-FMQUCBEESA-N 0 0 763.386 7.897 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)SC1=S)Nc1ccc(-c2ccccc2)cc1 ZINC000150444923 571499998 /nfs/dbraw/zinc/49/99/98/571499998.db2.gz FCAXILPVFOIRSB-QNEJGDQOSA-N 0 0 708.912 7.310 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Br)C2=O)SC1=S)Nc1ccccc1Br ZINC000150445243 571500188 /nfs/dbraw/zinc/50/01/88/571500188.db2.gz FNVAXEDPTDHUFO-OCEACIFDSA-N 0 0 798.670 7.842 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224225020 571501063 /nfs/dbraw/zinc/50/10/63/571501063.db2.gz AMFLFZYTTLYTJN-IHLOFXLRSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000150450497 571502339 /nfs/dbraw/zinc/50/23/39/571502339.db2.gz IOZAOPFJVOQBHY-VEILYXNESA-N 0 0 631.539 7.064 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224234155 571502906 /nfs/dbraw/zinc/50/29/06/571502906.db2.gz PSGGKOHUUDCCBZ-IZZNHLLZSA-N 0 0 506.597 6.993 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224239765 571504416 /nfs/dbraw/zinc/50/44/16/571504416.db2.gz QPZREYWUJDYKEG-RRPNLBNLSA-N 0 0 513.623 5.891 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C ZINC000224240497 571504491 /nfs/dbraw/zinc/50/44/91/571504491.db2.gz DQEMOZZKDDUXJX-SXOMAYOGSA-N 0 0 503.071 6.637 40 10 KKCBRN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)cc1 ZINC000150456425 571504626 /nfs/dbraw/zinc/50/46/26/571504626.db2.gz BMMWMDKCAMKJNM-ZDSKVHJSSA-N 0 0 771.850 6.345 40 10 KKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2c(Br)cc(Br)cc2Br)C1=O ZINC000150456732 571504811 /nfs/dbraw/zinc/50/48/11/571504811.db2.gz HWHYTUOJMLQAHI-QWWHEIEGSA-N 0 0 631.209 6.760 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224256295 571507759 /nfs/dbraw/zinc/50/77/59/571507759.db2.gz KXLFIJDAMVDGBA-UHFFFAOYSA-N 0 0 530.090 5.015 40 10 KKCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000150469529 571508586 /nfs/dbraw/zinc/50/85/86/571508586.db2.gz BUTNOTKGSZDQCH-JEIPZWNWSA-N 0 0 736.966 7.166 40 10 KKCBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000150469618 571508720 /nfs/dbraw/zinc/50/87/20/571508720.db2.gz PZSLISKVNMDUDM-QURGRASLSA-N 0 0 722.550 7.370 40 10 KKCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000150470118 571509175 /nfs/dbraw/zinc/50/91/75/571509175.db2.gz JJKALXXDPWRMDT-HEFFKOSUSA-N 0 0 805.170 8.002 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224268835 571510282 /nfs/dbraw/zinc/51/02/82/571510282.db2.gz ATNHUZSDXURSQD-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224273469 571511247 /nfs/dbraw/zinc/51/12/47/571511247.db2.gz ONNREWXLTHAISN-WUFINQPMSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000150481032 571512294 /nfs/dbraw/zinc/51/22/94/571512294.db2.gz TXTKYYMSNGUAFK-NDZAJKAJSA-N 0 0 661.552 8.390 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150481057 571512299 /nfs/dbraw/zinc/51/22/99/571512299.db2.gz CZVYFRFJNCDUFO-MTDXEUNCSA-N 0 0 728.970 8.577 40 10 KKCBRN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000150481067 571512302 /nfs/dbraw/zinc/51/23/02/571512302.db2.gz RBFBTPQJRDHOSJ-NDZAJKAJSA-N 0 0 708.552 8.232 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1 ZINC000224286002 571513572 /nfs/dbraw/zinc/51/35/72/571513572.db2.gz RAWINHJOARJURR-WUFINQPMSA-N 0 0 510.663 6.070 40 10 KKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223614675 571514288 /nfs/dbraw/zinc/51/42/88/571514288.db2.gz OETABXARGHVYTI-DNNAEVNTSA-N 0 0 527.528 7.495 40 10 KKCBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1 ZINC000224291558 571514705 /nfs/dbraw/zinc/51/47/05/571514705.db2.gz DHLBLBRDANVQAI-SVBPBHIXSA-N 0 0 503.115 7.161 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224306470 571518405 /nfs/dbraw/zinc/51/84/05/571518405.db2.gz KSKHSBJMRDYCED-VSGBNLITSA-N 0 0 527.650 6.200 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224307379 571518695 /nfs/dbraw/zinc/51/86/95/571518695.db2.gz PVNFEXIGKSWJFG-IZLXSDGUSA-N 0 0 517.098 6.945 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223640497 571518730 /nfs/dbraw/zinc/51/87/30/571518730.db2.gz LXYMUTFFVLWGJZ-XZOQPEGZSA-N 0 0 502.562 5.044 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223650791 571520686 /nfs/dbraw/zinc/52/06/86/571520686.db2.gz XNBOUOHNDAMXNB-GOTSBHOMSA-N 0 0 502.562 5.044 40 10 KKCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000223656185 571521482 /nfs/dbraw/zinc/52/14/82/571521482.db2.gz GVXRRHIRTHUOET-DHIUTWEWSA-N 0 0 503.455 5.332 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224321254 571521489 /nfs/dbraw/zinc/52/14/89/571521489.db2.gz PRTCAUSRBJYYLU-NSOVKSMOSA-N 0 0 510.663 6.070 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224321172 571521548 /nfs/dbraw/zinc/52/15/48/571521548.db2.gz PRTCAUSRBJYYLU-IZLXSDGUSA-N 0 0 510.663 6.070 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000224325387 571522272 /nfs/dbraw/zinc/52/22/72/571522272.db2.gz WHPNLSQAGOMSMW-KAYWLYCHSA-N 0 0 520.624 7.247 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000224336393 571524719 /nfs/dbraw/zinc/52/47/19/571524719.db2.gz SUFGWEWEZXYUKW-KAYWLYCHSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000224336251 571524770 /nfs/dbraw/zinc/52/47/70/571524770.db2.gz SUFGWEWEZXYUKW-SVBPBHIXSA-N 0 0 531.523 6.991 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000224338287 571525238 /nfs/dbraw/zinc/52/52/38/571525238.db2.gz OVMVWTWRSXSVNM-CONSDPRKSA-N 0 0 523.750 7.075 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 ZINC000224340093 571525704 /nfs/dbraw/zinc/52/57/04/571525704.db2.gz HSPUGRGXFRWMTL-WUFINQPMSA-N 0 0 501.099 7.190 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000224341099 571526008 /nfs/dbraw/zinc/52/60/08/571526008.db2.gz YXBXKUAVXRHRNO-VSGBNLITSA-N 0 0 517.098 6.891 40 10 KKCBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000224353531 571528583 /nfs/dbraw/zinc/52/85/83/571528583.db2.gz ZNNRKCXYTONFGQ-VSGBNLITSA-N 0 0 510.663 6.015 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224357806 571529193 /nfs/dbraw/zinc/52/91/93/571529193.db2.gz DAUQJXYLVZUWCQ-WUFINQPMSA-N 0 0 534.651 7.808 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21 ZINC000224358940 571529442 /nfs/dbraw/zinc/52/94/42/571529442.db2.gz UTGMTRWIDBNMFI-VSGBNLITSA-N 0 0 517.142 7.667 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224365236 571530795 /nfs/dbraw/zinc/53/07/95/571530795.db2.gz SVVWGKUEHDPDDC-ACHIHNKUSA-N 0 0 516.714 7.943 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224366546 571531061 /nfs/dbraw/zinc/53/10/61/571531061.db2.gz FLPJUTRVZRIWNA-WUFINQPMSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224366593 571531097 /nfs/dbraw/zinc/53/10/97/571531097.db2.gz FLPJUTRVZRIWNA-NSOVKSMOSA-N 0 0 534.651 7.808 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224367988 571531391 /nfs/dbraw/zinc/53/13/91/571531391.db2.gz FRHDSFGZFMZAKJ-VSGBNLITSA-N 0 0 501.099 7.443 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224370664 571531907 /nfs/dbraw/zinc/53/19/07/571531907.db2.gz UNCCRTPTAYQOFD-NSOVKSMOSA-N 0 0 535.544 8.096 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224370843 571531914 /nfs/dbraw/zinc/53/19/14/571531914.db2.gz BIWWTMQJOSWUAY-NSOVKSMOSA-N 0 0 535.544 8.096 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224371912 571532174 /nfs/dbraw/zinc/53/21/74/571532174.db2.gz PDTMBEXOWMJZFY-IGYGKHONSA-N 0 0 508.735 7.715 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224371883 571532195 /nfs/dbraw/zinc/53/21/95/571532195.db2.gz PDTMBEXOWMJZFY-VEEOACQBSA-N 0 0 508.735 7.715 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000223721613 571532643 /nfs/dbraw/zinc/53/26/43/571532643.db2.gz ZNNJHDOEGCVLDB-RPWUZVMVSA-N 0 0 516.589 5.434 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000223723917 571533020 /nfs/dbraw/zinc/53/30/20/571533020.db2.gz BVLJDVQMUPBDOZ-DNQXCXABSA-N 0 0 527.488 5.177 40 10 KKCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000223728340 571534051 /nfs/dbraw/zinc/53/40/51/571534051.db2.gz DPIZFUDHJFXUQU-RPBOFIJWSA-N 0 0 513.063 5.077 40 10 KKCBRN O=C1C(=Cc2ccc(Sc3nnc(Cc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000163439939 571535340 /nfs/dbraw/zinc/53/53/40/571535340.db2.gz RWLBOPNIGNGTTH-UHFFFAOYSA-N 0 0 694.798 7.666 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224386014 571535426 /nfs/dbraw/zinc/53/54/26/571535426.db2.gz AIUOVNZIARGSAA-WDYNHAJCSA-N 0 0 524.690 6.576 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224386099 571535492 /nfs/dbraw/zinc/53/54/92/571535492.db2.gz AIUOVNZIARGSAA-VMPREFPWSA-N 0 0 524.690 6.576 40 10 KKCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)sc2=N1 ZINC000163459568 571535676 /nfs/dbraw/zinc/53/56/76/571535676.db2.gz CAHYCOFYLAZDEY-WOSHRIRTSA-N 0 0 693.651 6.714 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163542522 571536525 /nfs/dbraw/zinc/53/65/25/571536525.db2.gz HKWVKGVVQCDRIX-POKSHJSXSA-N 0 0 703.577 6.087 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223748077 571537490 /nfs/dbraw/zinc/53/74/90/571537490.db2.gz RTCGVQHIWHJAFR-XZWHSSHBSA-N 0 0 539.705 5.511 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224400750 571538136 /nfs/dbraw/zinc/53/81/36/571538136.db2.gz BPGLHQMBKKZMLT-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224405072 571539077 /nfs/dbraw/zinc/53/90/77/571539077.db2.gz NQLWXMBATQWREQ-FTJBHMTQSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1 ZINC000223760157 571539555 /nfs/dbraw/zinc/53/95/55/571539555.db2.gz CRJRGVBDPVXLEE-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000223760748 571539675 /nfs/dbraw/zinc/53/96/75/571539675.db2.gz MNRZIJBWHNGOCF-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223763645 571540072 /nfs/dbraw/zinc/54/00/72/571540072.db2.gz ZCZNXEPBWVESDW-FTJBHMTQSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 ZINC000223763459 571540078 /nfs/dbraw/zinc/54/00/78/571540078.db2.gz YAGJTRSGKUYXSU-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000223763700 571540129 /nfs/dbraw/zinc/54/01/29/571540129.db2.gz ZCZNXEPBWVESDW-IZZNHLLZSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 ZINC000223766180 571540626 /nfs/dbraw/zinc/54/06/26/571540626.db2.gz VIOKFMPZAQFTCI-KAYWLYCHSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000223767062 571540835 /nfs/dbraw/zinc/54/08/35/571540835.db2.gz WWCXHJDGEUJEMX-SVBPBHIXSA-N 0 0 529.622 5.592 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C ZINC000224417285 571541738 /nfs/dbraw/zinc/54/17/38/571541738.db2.gz DYGRVUHCNJKNDS-CLJLJLNGSA-N 0 0 500.599 5.592 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000163744647 571542428 /nfs/dbraw/zinc/54/24/28/571542428.db2.gz UUKGCHAORHCSOT-CTHKJOMYSA-N 0 0 703.602 5.972 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223781592 571543230 /nfs/dbraw/zinc/54/32/30/571543230.db2.gz ZQZJEKPAPIQSGB-RRPNLBNLSA-N 0 0 512.635 5.461 40 10 KKCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000163915578 571543425 /nfs/dbraw/zinc/54/34/25/571543425.db2.gz ITSPKCGLZFJTAQ-MFCBUNOESA-N 0 0 671.988 5.772 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Br ZINC000224433529 571544937 /nfs/dbraw/zinc/54/49/37/571544937.db2.gz MMGNCDZWWPXFHG-LOSJGSFVSA-N 0 0 521.459 6.568 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000224437639 571545754 /nfs/dbraw/zinc/54/57/54/571545754.db2.gz YWCUVNMHMMYVTJ-IZZNHLLZSA-N 0 0 517.586 5.722 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c([N+](=O)[O-])c1 ZINC000224437685 571545792 /nfs/dbraw/zinc/54/57/92/571545792.db2.gz YWCUVNMHMMYVTJ-UIOOFZCWSA-N 0 0 517.586 5.722 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000223797829 571545834 /nfs/dbraw/zinc/54/58/34/571545834.db2.gz KYPTVQKSTXYYLA-SXOMAYOGSA-N 0 0 503.071 6.718 40 10 KKCBRN CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)N(C)C1=S ZINC000164430437 571547450 /nfs/dbraw/zinc/54/74/50/571547450.db2.gz PKGCWWOYNDDGKA-UHFFFAOYSA-N 0 0 687.124 5.380 40 10 KKCBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000164422427 571547509 /nfs/dbraw/zinc/54/75/09/571547509.db2.gz RPANKPQCDGEYSZ-QOSQFQCFSA-N 0 0 671.753 8.880 40 10 KKCBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164545287 571549787 /nfs/dbraw/zinc/54/97/87/571549787.db2.gz ZKJQJRXXUQQEJY-LLXISZFLSA-N 0 0 634.714 5.260 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164806711 571551077 /nfs/dbraw/zinc/55/10/77/571551077.db2.gz XWXYKDCMCFDIPV-UHFFFAOYSA-N 0 0 757.477 8.941 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164805672 571551092 /nfs/dbraw/zinc/55/10/92/571551092.db2.gz OCPQXLQBPOHSFV-UHFFFAOYSA-N 0 0 699.328 7.769 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164803063 571551122 /nfs/dbraw/zinc/55/11/22/571551122.db2.gz FDAKUHQOOWUOEY-UHFFFAOYSA-N 0 0 720.483 8.554 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164806390 571551131 /nfs/dbraw/zinc/55/11/31/571551131.db2.gz ODUOIKPBJIIHTB-UHFFFAOYSA-N 0 0 741.409 8.776 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164805848 571551141 /nfs/dbraw/zinc/55/11/41/571551141.db2.gz MRAVJVXTUBSXGE-UHFFFAOYSA-N 0 0 743.450 8.551 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164813312 571551255 /nfs/dbraw/zinc/55/12/55/571551255.db2.gz VXEWNUWHKDPBBJ-UHFFFAOYSA-N 0 0 659.964 8.280 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164808308 571551260 /nfs/dbraw/zinc/55/12/60/571551260.db2.gz SBIOGLSSPVZUAJ-UHFFFAOYSA-N 0 0 672.557 7.310 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164814127 571551278 /nfs/dbraw/zinc/55/12/78/571551278.db2.gz QFJYQIPDWQWQMV-UHFFFAOYSA-N 0 0 662.005 8.055 40 10 KKCBRN CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164813607 571551308 /nfs/dbraw/zinc/55/13/08/571551308.db2.gz VVSZONDGAKANEF-UHFFFAOYSA-N 0 0 676.032 8.445 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224467020 571552745 /nfs/dbraw/zinc/55/27/45/571552745.db2.gz JJXWZXSJKKDHBV-VMPREFPWSA-N 0 0 530.141 7.166 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224469005 571553161 /nfs/dbraw/zinc/55/31/61/571553161.db2.gz PYSAOCSQKZKBDL-CLJLJLNGSA-N 0 0 507.490 7.281 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224470312 571553541 /nfs/dbraw/zinc/55/35/41/571553541.db2.gz PTMTVFMCYCMAPU-XTEPFMGCSA-N 0 0 501.099 7.190 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000169617104 571553721 /nfs/dbraw/zinc/55/37/21/571553721.db2.gz ZHLMLDWNAFNFSN-NJDAHSKKSA-N 0 0 526.759 5.342 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169618100 571554065 /nfs/dbraw/zinc/55/40/65/571554065.db2.gz YPIINWIWFSQQES-NJDAHSKKSA-N 0 0 525.866 5.054 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1 ZINC000224481512 571556208 /nfs/dbraw/zinc/55/62/08/571556208.db2.gz PEYCEJFXESWJNC-UIOOFZCWSA-N 0 0 517.054 6.106 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223822518 571556369 /nfs/dbraw/zinc/55/63/69/571556369.db2.gz RYTDXTSQPJAILV-NSOVKSMOSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 ZINC000223822647 571556381 /nfs/dbraw/zinc/55/63/81/571556381.db2.gz RYTDXTSQPJAILV-WUFINQPMSA-N 0 0 543.649 5.982 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 ZINC000223823106 571556437 /nfs/dbraw/zinc/55/64/37/571556437.db2.gz BPJFOKIAQJFOSJ-IZLXSDGUSA-N 0 0 517.098 7.027 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 ZINC000223823629 571556665 /nfs/dbraw/zinc/55/66/65/571556665.db2.gz RRQURWNNUWVKCJ-IZLXSDGUSA-N 0 0 533.097 6.727 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000169680817 571557012 /nfs/dbraw/zinc/55/70/12/571557012.db2.gz WNLOAQILYOVIBN-NJDAHSKKSA-N 0 0 526.759 5.342 40 10 KKCBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000223840120 571559708 /nfs/dbraw/zinc/55/97/08/571559708.db2.gz PURVCDPHEKPBEZ-WUFINQPMSA-N 0 0 526.662 5.852 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224494325 571559710 /nfs/dbraw/zinc/55/97/10/571559710.db2.gz DFQWNOFQRFEFFB-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000224495885 571560132 /nfs/dbraw/zinc/56/01/32/571560132.db2.gz ITDZYNIDRWEYSX-JWQCQUIFSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Br ZINC000224496272 571560209 /nfs/dbraw/zinc/56/02/09/571560209.db2.gz ZSHYSJQVSNYVLZ-JWQCQUIFSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1Br ZINC000224496362 571560226 /nfs/dbraw/zinc/56/02/26/571560226.db2.gz ZSHYSJQVSNYVLZ-LOSJGSFVSA-N 0 0 582.365 7.191 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224496117 571560272 /nfs/dbraw/zinc/56/02/72/571560272.db2.gz NEFKAGGROHLRPZ-RPBOFIJWSA-N 0 0 537.914 7.082 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(O)cc1 ZINC000224497073 571560510 /nfs/dbraw/zinc/56/05/10/571560510.db2.gz KXZGRHRKJQYZCQ-JWQCQUIFSA-N 0 0 519.468 6.134 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223845418 571560584 /nfs/dbraw/zinc/56/05/84/571560584.db2.gz CLBIIAPZCGVZBI-WDYNHAJCSA-N 0 0 525.678 5.208 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498490 571560880 /nfs/dbraw/zinc/56/08/80/571560880.db2.gz WMNKYUZASLRJRG-FQLXRVMXSA-N 0 0 574.592 7.275 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224498752 571560897 /nfs/dbraw/zinc/56/08/97/571560897.db2.gz IJFCFLYLUVBGRR-RPBOFIJWSA-N 0 0 572.359 7.736 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224500576 571561443 /nfs/dbraw/zinc/56/14/43/571561443.db2.gz VGWLUDWBTPJESB-IXCJQBJRSA-N 0 0 545.550 7.354 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224502144 571561884 /nfs/dbraw/zinc/56/18/84/571561884.db2.gz YCMHHHOQYLGKJF-FTJBHMTQSA-N 0 0 578.492 6.346 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223856109 571562565 /nfs/dbraw/zinc/56/25/65/571562565.db2.gz UCGOKLZOBSROCB-JWQCQUIFSA-N 0 0 508.569 6.391 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)c1 ZINC000224515569 571564314 /nfs/dbraw/zinc/56/43/14/571564314.db2.gz UKRVKKGDBTWBPK-IZZNHLLZSA-N 0 0 561.505 6.215 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1C ZINC000224515735 571564401 /nfs/dbraw/zinc/56/44/01/571564401.db2.gz CIHFARVMCPOTMC-FTJBHMTQSA-N 0 0 561.505 6.215 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223884749 571567997 /nfs/dbraw/zinc/56/79/97/571567997.db2.gz QZDLDCBLWGEWLF-SXOMAYOGSA-N 0 0 535.639 6.751 40 10 KKCBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 ZINC000224534928 571568659 /nfs/dbraw/zinc/56/86/59/571568659.db2.gz UEYFTYQQRIJQRY-CLJLJLNGSA-N 0 0 523.489 6.982 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223894425 571569778 /nfs/dbraw/zinc/56/97/78/571569778.db2.gz WTRZYWMFVVTBHU-KAYWLYCHSA-N 0 0 535.639 6.751 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000223896186 571570044 /nfs/dbraw/zinc/57/00/44/571570044.db2.gz SLGXRWFOXZNLSS-SXOMAYOGSA-N 0 0 502.087 6.386 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223896529 571570148 /nfs/dbraw/zinc/57/01/48/571570148.db2.gz VZFWTXGGNLDJMJ-SVBPBHIXSA-N 0 0 502.087 6.386 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000205770688 571570995 /nfs/dbraw/zinc/57/09/95/571570995.db2.gz FCUNKBIKJYNRTG-LGJNPRDNSA-N 0 0 667.396 8.260 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000223901380 571571191 /nfs/dbraw/zinc/57/11/91/571571191.db2.gz RBETXTDARLPFGV-NSOVKSMOSA-N 0 0 516.114 6.694 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223901623 571571262 /nfs/dbraw/zinc/57/12/62/571571262.db2.gz JKZNUFUOAXROPD-NSOVKSMOSA-N 0 0 542.665 5.649 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223902942 571571688 /nfs/dbraw/zinc/57/16/88/571571688.db2.gz ZPVLBOZFYMGSMY-MFMCTBQISA-N 0 0 509.723 6.603 40 10 KKCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000206883801 571573042 /nfs/dbraw/zinc/57/30/42/571573042.db2.gz OBIXPQOCAARMAE-SRZZPIQSSA-N 0 0 624.365 6.890 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000206911297 571573061 /nfs/dbraw/zinc/57/30/61/571573061.db2.gz APGVHGFFCAKYKS-IWIPYMOSSA-N 0 0 539.078 6.172 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000224555792 571573482 /nfs/dbraw/zinc/57/34/82/571573482.db2.gz DGNLJFZVTTVHMG-FTJBHMTQSA-N 0 0 522.596 6.694 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21 ZINC000208256239 571573587 /nfs/dbraw/zinc/57/35/87/571573587.db2.gz GSUBHCFBTSCSGP-DGKJUAPTSA-N 0 0 518.466 6.390 40 10 KKCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21 ZINC000208254681 571573685 /nfs/dbraw/zinc/57/36/85/571573685.db2.gz HPVNDVUWLAKUNT-FHOUHHFSSA-N 0 0 501.414 5.247 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21 ZINC000208253605 571573696 /nfs/dbraw/zinc/57/36/96/571573696.db2.gz KMJKWADWVJLKKN-YYLUKMIBSA-N 0 0 519.892 7.061 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000208659277 571574764 /nfs/dbraw/zinc/57/47/64/571574764.db2.gz XRCIWLMVUALCIB-NHDPSOOVSA-N 0 0 575.437 6.490 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000224560643 571574809 /nfs/dbraw/zinc/57/48/09/571574809.db2.gz FUHCSNWLQYJALE-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000208656256 571574838 /nfs/dbraw/zinc/57/48/38/571574838.db2.gz FJNGWVCQSYOGMK-MTJSOVHGSA-N 0 0 622.437 6.332 40 10 KKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCc1c(F)cccc1Cl ZINC000208710242 571575059 /nfs/dbraw/zinc/57/50/59/571575059.db2.gz AKPDTJKFLVEHTJ-CFRMEGHHSA-N 0 0 514.043 7.089 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208710892 571575088 /nfs/dbraw/zinc/57/50/88/571575088.db2.gz ITXMJIOSPCIDQM-KSEXSDGBSA-N 0 0 609.394 8.366 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000224567761 571576341 /nfs/dbraw/zinc/57/63/41/571576341.db2.gz HVMNYVMWSYZVMW-FTJBHMTQSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000224571905 571577447 /nfs/dbraw/zinc/57/74/47/571577447.db2.gz NJSIFIFPJRYGIJ-RRPNLBNLSA-N 0 0 503.071 6.637 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000224572295 571577559 /nfs/dbraw/zinc/57/75/59/571577559.db2.gz GXOOHCQZKWTWSS-SXOMAYOGSA-N 0 0 529.622 5.592 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000224573000 571577651 /nfs/dbraw/zinc/57/76/51/571577651.db2.gz NZIIBXGTWSQYFO-RRPNLBNLSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000224572905 571577677 /nfs/dbraw/zinc/57/76/77/571577677.db2.gz NZIIBXGTWSQYFO-SVBPBHIXSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000224573224 571577796 /nfs/dbraw/zinc/57/77/96/571577796.db2.gz YXWCGMBRECFGJB-RRPNLBNLSA-N 0 0 529.622 5.592 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000223931974 571577986 /nfs/dbraw/zinc/57/79/86/571577986.db2.gz LEMQRTKFFDOVON-KYJUHHDHSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000223931851 571578004 /nfs/dbraw/zinc/57/80/04/571578004.db2.gz LEMQRTKFFDOVON-IHLOFXLRSA-N 0 0 523.706 5.811 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000223934096 571578311 /nfs/dbraw/zinc/57/83/11/571578311.db2.gz IPFVUDCDWQTYIP-URLMMPGGSA-N 0 0 544.124 6.156 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br ZINC000223934347 571578443 /nfs/dbraw/zinc/57/84/43/571578443.db2.gz RIUUOJLLZXBPPN-URLMMPGGSA-N 0 0 588.575 6.265 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214333275 571578620 /nfs/dbraw/zinc/57/86/20/571578620.db2.gz VCTDMTODHQSFSZ-VULFUBBASA-N 0 0 578.622 5.834 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214398226 571578927 /nfs/dbraw/zinc/57/89/27/571578927.db2.gz JUUTZQQFBMFWOH-RPPGKUMJSA-N 0 0 629.522 7.002 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223937468 571578950 /nfs/dbraw/zinc/57/89/50/571578950.db2.gz LDQXUCIFWMIXAF-WDYNHAJCSA-N 0 0 578.569 6.810 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223939442 571579571 /nfs/dbraw/zinc/57/95/71/571579571.db2.gz IMGHVWVRVUBQPU-IHLOFXLRSA-N 0 0 584.702 5.420 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000223941237 571580102 /nfs/dbraw/zinc/58/01/02/571580102.db2.gz ARPFHQMSMFMUKM-URLMMPGGSA-N 0 0 524.694 5.206 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000214839161 571581463 /nfs/dbraw/zinc/58/14/63/571581463.db2.gz ZOJQXBSXOSCWNF-OKCVXOCRSA-N 0 0 591.560 8.808 40 10 KKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214860836 571581571 /nfs/dbraw/zinc/58/15/71/571581571.db2.gz JUJIJPAEOLCLNO-LGJNPRDNSA-N 0 0 629.522 7.002 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000215209786 571583857 /nfs/dbraw/zinc/58/38/57/571583857.db2.gz AENVSJWVWZHILA-FYJGNVAPSA-N 0 0 514.388 5.935 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223961372 571584319 /nfs/dbraw/zinc/58/43/19/571584319.db2.gz LMFOUKGPHYEDOH-CONSDPRKSA-N 0 0 566.731 5.461 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000223961189 571584320 /nfs/dbraw/zinc/58/43/20/571584320.db2.gz STWAFYAHTFOEKU-SXOMAYOGSA-N 0 0 549.622 6.643 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223961486 571584508 /nfs/dbraw/zinc/58/45/08/571584508.db2.gz LMFOUKGPHYEDOH-IOWSJCHKSA-N 0 0 566.731 5.461 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1Cl ZINC000224606325 571585231 /nfs/dbraw/zinc/58/52/31/571585231.db2.gz SRIOLSVZWUILHZ-DQEYMECFSA-N 0 0 509.462 6.679 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224609084 571585824 /nfs/dbraw/zinc/58/58/24/571585824.db2.gz HYNNOHSSGLHXLS-UIOOFZCWSA-N 0 0 505.043 6.034 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 ZINC000223972966 571586639 /nfs/dbraw/zinc/58/66/39/571586639.db2.gz OZYWTQMUWVGGBU-KAYWLYCHSA-N 0 0 549.622 6.643 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)c1 ZINC000223976094 571587044 /nfs/dbraw/zinc/58/70/44/571587044.db2.gz JYGIPECLMQFLJH-VSGBNLITSA-N 0 0 511.651 5.633 40 10 KKCBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223977380 571587425 /nfs/dbraw/zinc/58/74/25/571587425.db2.gz AYQULMSDNFJAED-WDYNHAJCSA-N 0 0 524.694 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000224629489 571590547 /nfs/dbraw/zinc/59/05/47/571590547.db2.gz IDJYYQPWOFKOPG-IHLOFXLRSA-N 0 0 517.658 6.854 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C ZINC000224635497 571591585 /nfs/dbraw/zinc/59/15/85/571591585.db2.gz VCPRCHDEDHKMAH-AJQTZOPKSA-N 0 0 530.697 7.767 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224640316 571593026 /nfs/dbraw/zinc/59/30/26/571593026.db2.gz PAKIGSSHWGNMCK-JSOSNVBQSA-N 0 0 585.560 8.765 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224641881 571593375 /nfs/dbraw/zinc/59/33/75/571593375.db2.gz FSUSVYGLDCWRNF-ACHIHNKUSA-N 0 0 565.142 8.420 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1C ZINC000224642819 571593496 /nfs/dbraw/zinc/59/34/96/571593496.db2.gz UGLDHLAWKUCNIR-ROJLCIKYSA-N 0 0 581.141 8.121 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000224643970 571593546 /nfs/dbraw/zinc/59/35/46/571593546.db2.gz NCIJRWKUSLJSRI-CONSDPRKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl ZINC000224013690 571595366 /nfs/dbraw/zinc/59/53/66/571595366.db2.gz KLYUQRFZCURMGP-CLJLJLNGSA-N 0 0 503.027 6.048 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 ZINC000224015003 571595509 /nfs/dbraw/zinc/59/55/09/571595509.db2.gz PNLQDNMTQQMFOH-IZZNHLLZSA-N 0 0 547.478 6.157 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224020417 571596500 /nfs/dbraw/zinc/59/65/00/571596500.db2.gz ZFOGSAJOSUTBJS-SVBPBHIXSA-N 0 0 533.053 6.057 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224655055 571596581 /nfs/dbraw/zinc/59/65/81/571596581.db2.gz WGRVDJKDUMMXKN-JSOSNVBQSA-N 0 0 532.669 7.159 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224655969 571596685 /nfs/dbraw/zinc/59/66/85/571596685.db2.gz RYQDDDLLMBADKF-ACHIHNKUSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224655923 571596711 /nfs/dbraw/zinc/59/67/11/571596711.db2.gz RYQDDDLLMBADKF-AJQTZOPKSA-N 0 0 574.706 7.245 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224655878 571596747 /nfs/dbraw/zinc/59/67/47/571596747.db2.gz RYQDDDLLMBADKF-ZWXJPIIXSA-N 0 0 574.706 7.245 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccn1 ZINC000224662660 571598298 /nfs/dbraw/zinc/59/82/98/571598298.db2.gz JYKKXTZOSZAAGF-IOWSJCHKSA-N 0 0 531.685 7.162 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C ZINC000224668944 571599294 /nfs/dbraw/zinc/59/92/94/571599294.db2.gz WYVIKYYFSIXVOS-LQJZCPKCSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1 ZINC000224669097 571599320 /nfs/dbraw/zinc/59/93/20/571599320.db2.gz QTBPTELSKFPURB-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000224669296 571599402 /nfs/dbraw/zinc/59/94/02/571599402.db2.gz JVZHOGYBWKKLSS-JHOUSYSJSA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C)c1 ZINC000224669050 571599406 /nfs/dbraw/zinc/59/94/06/571599406.db2.gz QTBPTELSKFPURB-SAIUNTKASA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000224671073 571599614 /nfs/dbraw/zinc/59/96/14/571599614.db2.gz SYJPQTIBOFVACX-AJQTZOPKSA-N 0 0 565.142 8.420 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000224671451 571599818 /nfs/dbraw/zinc/59/98/18/571599818.db2.gz XIRGXWJVYXVYRJ-ZWXJPIIXSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1O ZINC000224671942 571599971 /nfs/dbraw/zinc/59/99/71/571599971.db2.gz SIEKXVNEXOGSGM-ACHIHNKUSA-N 0 0 546.696 7.473 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224040608 571600407 /nfs/dbraw/zinc/60/04/07/571600407.db2.gz WBTSNKWAAOCBOA-IZLXSDGUSA-N 0 0 601.094 7.364 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224674003 571600590 /nfs/dbraw/zinc/60/05/90/571600590.db2.gz AYXZGGSPWPALNE-ACHIHNKUSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224675098 571600693 /nfs/dbraw/zinc/60/06/93/571600693.db2.gz WAKQLEFHXCCQJK-VLZNPVHKSA-N 0 0 572.778 8.692 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000224674833 571600732 /nfs/dbraw/zinc/60/07/32/571600732.db2.gz OOFIDMUMPCOQCP-HEVIKAOCSA-N 0 0 558.751 8.384 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000224675298 571600868 /nfs/dbraw/zinc/60/08/68/571600868.db2.gz HMOKHDCPBTXLSJ-CZNDPXEESA-N 0 0 579.169 8.729 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000224043788 571601029 /nfs/dbraw/zinc/60/10/29/571601029.db2.gz PSKSSPHKPAAXTN-RRPNLBNLSA-N 0 0 534.085 5.740 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000224676002 571601061 /nfs/dbraw/zinc/60/10/61/571601061.db2.gz WUWQEMNGOYXKOC-JHOUSYSJSA-N 0 0 579.169 8.729 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676510 571601126 /nfs/dbraw/zinc/60/11/26/571601126.db2.gz JHBDDAXLULPTSH-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c1C ZINC000224676451 571601150 /nfs/dbraw/zinc/60/11/50/571601150.db2.gz KTECYQRGVRKPPG-LQJZCPKCSA-N 0 0 595.168 8.429 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ncccc1C ZINC000224677122 571601314 /nfs/dbraw/zinc/60/13/14/571601314.db2.gz LSFWBOIAXGVXHA-FIRIVFDPSA-N 0 0 545.712 7.470 40 10 KKCBRN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(-c2ccccc2)cc1 ZINC000217416659 571601369 /nfs/dbraw/zinc/60/13/69/571601369.db2.gz ZSHLXESIJVZZBW-DMBDEWFESA-N 0 0 530.580 7.128 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000224046133 571601523 /nfs/dbraw/zinc/60/15/23/571601523.db2.gz ZVRDGGZYCWLGEY-WUFINQPMSA-N 0 0 583.541 6.704 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000224050659 571602144 /nfs/dbraw/zinc/60/21/44/571602144.db2.gz NWZJDAWSYKOVQL-WUFINQPMSA-N 0 0 533.097 6.345 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224051603 571602334 /nfs/dbraw/zinc/60/23/34/571602334.db2.gz UUOXZBLHYYYMEZ-WUFINQPMSA-N 0 0 601.094 7.364 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl ZINC000224051544 571602342 /nfs/dbraw/zinc/60/23/42/571602342.db2.gz UUOXZBLHYYYMEZ-IZLXSDGUSA-N 0 0 601.094 7.364 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224056792 571603374 /nfs/dbraw/zinc/60/33/74/571603374.db2.gz OBAAOCLONKTUGL-IZLXSDGUSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224056909 571603376 /nfs/dbraw/zinc/60/33/76/571603376.db2.gz OBAAOCLONKTUGL-VSGBNLITSA-N 0 0 601.987 7.652 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl ZINC000224057035 571603427 /nfs/dbraw/zinc/60/34/27/571603427.db2.gz HIMPYYNLVCCIIC-IHLOFXLRSA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224057541 571603678 /nfs/dbraw/zinc/60/36/78/571603678.db2.gz CNNHSIYTVDONCV-MFMCTBQISA-N 0 0 561.151 6.962 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000224058897 571604067 /nfs/dbraw/zinc/60/40/67/571604067.db2.gz GTSYJYHMMRSDAZ-WDYNHAJCSA-N 0 0 608.120 6.262 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000224059904 571604231 /nfs/dbraw/zinc/60/42/31/571604231.db2.gz MZVWFKHWHCUOEX-URLMMPGGSA-N 0 0 608.120 6.262 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OCCOC)c(Cl)c2)c1C ZINC000224060164 571604347 /nfs/dbraw/zinc/60/43/47/571604347.db2.gz OMEHJKFLFLGULA-IGYGKHONSA-N 0 0 575.178 7.216 40 10 KKCBRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224060290 571604393 /nfs/dbraw/zinc/60/43/93/571604393.db2.gz UYYSCHAWLZBOPF-NSOVKSMOSA-N 0 0 548.112 6.048 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)n1-c1ccccc1 ZINC000224689105 571604631 /nfs/dbraw/zinc/60/46/31/571604631.db2.gz YEPNZLRXQCUWPA-FIRIVFDPSA-N 0 0 516.670 7.459 40 10 KKCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)n1-c1ccccc1 ZINC000224689154 571604790 /nfs/dbraw/zinc/60/47/90/571604790.db2.gz YEPNZLRXQCUWPA-JSOSNVBQSA-N 0 0 516.670 7.459 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C ZINC000224702900 571606783 /nfs/dbraw/zinc/60/67/83/571606783.db2.gz ZIBDMEYSEFBICX-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000224703111 571606811 /nfs/dbraw/zinc/60/68/11/571606811.db2.gz WZNRLHHZLKLTTA-CZNDPXEESA-N 0 0 544.724 8.075 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224704853 571606956 /nfs/dbraw/zinc/60/69/56/571606956.db2.gz BEEIRSVBFVUAFT-HUUCEWRRSA-N 0 0 554.525 5.373 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224705466 571606987 /nfs/dbraw/zinc/60/69/87/571606987.db2.gz ZEIRPFGGHPCAAZ-AJQTZOPKSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000224705794 571607052 /nfs/dbraw/zinc/60/70/52/571607052.db2.gz XMFRBTSURXQIIC-ROJLCIKYSA-N 0 0 609.593 8.529 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224707474 571607157 /nfs/dbraw/zinc/60/71/57/571607157.db2.gz OTDXSDGGZLRKFM-NOCHOARKSA-N 0 0 573.766 7.833 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707671 571607280 /nfs/dbraw/zinc/60/72/80/571607280.db2.gz ACXVVCRZNAHBIG-XDSPJLLDSA-N 0 0 601.820 8.613 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000224708181 571607389 /nfs/dbraw/zinc/60/73/89/571607389.db2.gz JSMMWVJPINHNMK-ACHIHNKUSA-N 0 0 599.587 9.074 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224709028 571607587 /nfs/dbraw/zinc/60/75/87/571607587.db2.gz JRBMKTGCLDJQPC-CZNDPXEESA-N 0 0 574.706 7.496 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224085185 571607950 /nfs/dbraw/zinc/60/79/50/571607950.db2.gz QZJFMUDLMBAJAN-VMPREFPWSA-N 0 0 574.150 6.928 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000224085025 571607979 /nfs/dbraw/zinc/60/79/79/571607979.db2.gz QZJFMUDLMBAJAN-FQLXRVMXSA-N 0 0 574.150 6.928 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000224710678 571608043 /nfs/dbraw/zinc/60/80/43/571608043.db2.gz ACMKOKLORZAIIJ-CZNDPXEESA-N 0 0 605.720 7.684 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ncccc1C ZINC000224711380 571608153 /nfs/dbraw/zinc/60/81/53/571608153.db2.gz UXIVVEJIHQJQIP-IOWSJCHKSA-N 0 0 545.712 7.470 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224089940 571608420 /nfs/dbraw/zinc/60/84/20/571608420.db2.gz OTGQQOOZIYRGCQ-XZWHSSHBSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224089889 571608460 /nfs/dbraw/zinc/60/84/60/571608460.db2.gz OTGQQOOZIYRGCQ-IHLOFXLRSA-N 0 0 537.733 6.878 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224090054 571608485 /nfs/dbraw/zinc/60/84/85/571608485.db2.gz BVCMUVGYGMRQNN-LOYHVIPDSA-N 0 0 537.733 6.878 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224090557 571608545 /nfs/dbraw/zinc/60/85/45/571608545.db2.gz IKRFMHMRTWHNOD-JSOSNVBQSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1F ZINC000224091077 571608610 /nfs/dbraw/zinc/60/86/10/571608610.db2.gz UMMIQXBQWPXHAT-URLMMPGGSA-N 0 0 541.696 6.708 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224090837 571608631 /nfs/dbraw/zinc/60/86/31/571608631.db2.gz KWSSZTPFBRDVME-IOWSJCHKSA-N 0 0 551.760 7.132 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000224092046 571608711 /nfs/dbraw/zinc/60/87/11/571608711.db2.gz CWBLZRUTNFYYTF-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Br)c1 ZINC000224092589 571608881 /nfs/dbraw/zinc/60/88/81/571608881.db2.gz YXXWOXMVZSFQGS-FQLXRVMXSA-N 0 0 602.602 7.332 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224093525 571608897 /nfs/dbraw/zinc/60/88/97/571608897.db2.gz JSMVVDVETGKHFB-LOYHVIPDSA-N 0 0 553.732 6.578 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c1 ZINC000224093574 571609078 /nfs/dbraw/zinc/60/90/78/571609078.db2.gz JSMVVDVETGKHFB-IHLOFXLRSA-N 0 0 553.732 6.578 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224095227 571609277 /nfs/dbraw/zinc/60/92/77/571609277.db2.gz FWHBQWXFBQKEOW-URLMMPGGSA-N 0 0 592.596 7.876 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224096896 571609468 /nfs/dbraw/zinc/60/94/68/571609468.db2.gz CXHJUDKGZCLFJC-CDZUIXILSA-N 0 0 565.787 7.494 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224096792 571609516 /nfs/dbraw/zinc/60/95/16/571609516.db2.gz CXHJUDKGZCLFJC-BHYZAODMSA-N 0 0 565.787 7.494 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)c([N+](=O)[O-])c1 ZINC000224097558 571609566 /nfs/dbraw/zinc/60/95/66/571609566.db2.gz LQYJWJPCRPQVAK-XZWHSSHBSA-N 0 0 598.729 6.486 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000224097131 571609584 /nfs/dbraw/zinc/60/95/84/571609584.db2.gz JHLWLQWAMTUXNE-KYJUHHDHSA-N 0 0 572.178 7.531 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c1C ZINC000224098776 571609810 /nfs/dbraw/zinc/60/98/10/571609810.db2.gz SSUARLQMWKRPQD-CDZUIXILSA-N 0 0 565.787 7.440 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4F)c3C)cc2)cc1 ZINC000224738327 571612597 /nfs/dbraw/zinc/61/25/97/571612597.db2.gz HHOLUBZOMODJLV-ZWXJPIIXSA-N 0 0 564.686 7.606 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)cc1 ZINC000224739804 571612711 /nfs/dbraw/zinc/61/27/11/571612711.db2.gz CTSVJYUQZKKZGH-AJQTZOPKSA-N 0 0 625.592 8.230 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(O)cc4)c3C)cc2)cc1 ZINC000224740866 571612761 /nfs/dbraw/zinc/61/27/61/571612761.db2.gz SBEULLVDMXKXSV-ZWXJPIIXSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4O)c3C)cc2)cc1 ZINC000224740605 571612766 /nfs/dbraw/zinc/61/27/66/571612766.db2.gz YMAGSFGIMPNHRS-ACHIHNKUSA-N 0 0 562.695 7.173 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(OC)cc4)c3C)cc2)cc1 ZINC000224741266 571612827 /nfs/dbraw/zinc/61/28/27/571612827.db2.gz AVGVOXUXWDWWFQ-SAIUNTKASA-N 0 0 576.722 7.476 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2)cc1 ZINC000224743217 571613004 /nfs/dbraw/zinc/61/30/04/571613004.db2.gz CRNGXHODOHDUJM-KKLWWLSJSA-N 0 0 574.750 8.084 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2)cc1 ZINC000224743709 571613009 /nfs/dbraw/zinc/61/30/09/571613009.db2.gz IZFMVXYTJZWRQJ-LQJZCPKCSA-N 0 0 590.705 7.196 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(Cl)ccc4C)c3C)cc2)cc1 ZINC000224744779 571613147 /nfs/dbraw/zinc/61/31/47/571613147.db2.gz AHDGQWLVPCFOJB-JHOUSYSJSA-N 0 0 595.168 8.429 40 10 KKCBRN COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C)ccn4)c3C)cc2)cc1 ZINC000224745857 571613254 /nfs/dbraw/zinc/61/32/54/571613254.db2.gz CJHTUAOTDAGTPV-ROJLCIKYSA-N 0 0 561.711 7.171 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000224767397 571615243 /nfs/dbraw/zinc/61/52/43/571615243.db2.gz QRZZZHDZRWSALM-CONSDPRKSA-N 0 0 628.179 8.085 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000224770552 571615496 /nfs/dbraw/zinc/61/54/96/571615496.db2.gz DWJIHCXGXMSKGV-OIDHKYIRSA-N 0 0 627.795 8.879 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224772395 571615705 /nfs/dbraw/zinc/61/57/05/571615705.db2.gz SIQXPRMRTJLSHW-JHOUSYSJSA-N 0 0 605.789 8.288 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Cl ZINC000224773110 571615731 /nfs/dbraw/zinc/61/57/31/571615731.db2.gz TUCRRLVERIPVCL-FIRIVFDPSA-N 0 0 612.180 8.379 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000224772788 571615749 /nfs/dbraw/zinc/61/57/49/571615749.db2.gz JOPRZIHYDSOMRD-IOWSJCHKSA-N 0 0 595.725 7.865 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1Br ZINC000224773833 571615806 /nfs/dbraw/zinc/61/58/06/571615806.db2.gz BRTUXUAUMHYQQN-IOWSJCHKSA-N 0 0 656.631 8.488 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224775814 571615967 /nfs/dbraw/zinc/61/59/67/571615967.db2.gz FSIROQRZXKAYRF-CZNDPXEESA-N 0 0 620.804 7.792 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224775907 571616005 /nfs/dbraw/zinc/61/60/05/571616005.db2.gz FSIROQRZXKAYRF-JHOUSYSJSA-N 0 0 620.804 7.792 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000224776951 571616134 /nfs/dbraw/zinc/61/61/34/571616134.db2.gz KIJXSRJRXXSOHN-LQJZCPKCSA-N 0 0 605.789 8.342 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000224778841 571616194 /nfs/dbraw/zinc/61/61/94/571616194.db2.gz QWDSOILYGUWKOQ-ZWXJPIIXSA-N 0 0 642.206 8.388 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000224779403 571616262 /nfs/dbraw/zinc/61/62/62/571616262.db2.gz PDNPCCRJVARZGX-JSOSNVBQSA-N 0 0 592.750 7.429 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(OC)c1 ZINC000224796113 571617925 /nfs/dbraw/zinc/61/79/25/571617925.db2.gz WERGOUQDOIWYNG-KAYWLYCHSA-N 0 0 552.622 6.702 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1 ZINC000224806564 571618905 /nfs/dbraw/zinc/61/89/05/571618905.db2.gz UOBGFWPOSVDYSE-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000224806767 571618907 /nfs/dbraw/zinc/61/89/07/571618907.db2.gz OPOFNDKVDRMNGI-SXOMAYOGSA-N 0 0 519.070 6.337 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 ZINC000224807222 571618924 /nfs/dbraw/zinc/61/89/24/571618924.db2.gz RGHPVTWMIGBKMM-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 ZINC000224808974 571619117 /nfs/dbraw/zinc/61/91/17/571619117.db2.gz JLPJMDNIZWOQLI-WDYNHAJCSA-N 0 0 527.694 5.749 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(OC)c1 ZINC000224811033 571619334 /nfs/dbraw/zinc/61/93/34/571619334.db2.gz MROZECQZLWFBRI-WUFINQPMSA-N 0 0 533.097 6.645 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 ZINC000224829093 571621107 /nfs/dbraw/zinc/62/11/07/571621107.db2.gz VRTQRAHPYBKERE-IOWSJCHKSA-N 0 0 569.731 5.520 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)c1 ZINC000224836529 571621932 /nfs/dbraw/zinc/62/19/32/571621932.db2.gz DLEUWROUXSWNSH-CONSDPRKSA-N 0 0 534.685 6.837 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1 ZINC000224838510 571622090 /nfs/dbraw/zinc/62/20/90/571622090.db2.gz PQRSYMOSIDIWHO-SXOMAYOGSA-N 0 0 502.615 5.823 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224839659 571622184 /nfs/dbraw/zinc/62/21/84/571622184.db2.gz CUBROXQDTAAMFD-SVBPBHIXSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)c1 ZINC000224839745 571622234 /nfs/dbraw/zinc/62/22/34/571622234.db2.gz CUBROXQDTAAMFD-RRPNLBNLSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)c1 ZINC000224839974 571622239 /nfs/dbraw/zinc/62/22/39/571622239.db2.gz FJQJTMOVXBUVHY-KAYWLYCHSA-N 0 0 563.521 6.446 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1 ZINC000224840355 571622308 /nfs/dbraw/zinc/62/23/08/571622308.db2.gz USQLIPFLYMUOHD-KAYWLYCHSA-N 0 0 500.624 5.389 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224844858 571622645 /nfs/dbraw/zinc/62/26/45/571622645.db2.gz ABXIPJJCGVMDAF-VSGBNLITSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 ZINC000224844774 571622670 /nfs/dbraw/zinc/62/26/70/571622670.db2.gz ABXIPJJCGVMDAF-IZLXSDGUSA-N 0 0 559.648 5.600 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)cc1 ZINC000224856084 571623627 /nfs/dbraw/zinc/62/36/27/571623627.db2.gz DJUQYMSTBUZYDF-KAYWLYCHSA-N 0 0 500.624 5.384 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc2ccccc21 ZINC000224867373 571624777 /nfs/dbraw/zinc/62/47/77/571624777.db2.gz WIHMDYOWTPRGOV-VMPREFPWSA-N 0 0 525.077 7.178 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224868908 571624922 /nfs/dbraw/zinc/62/49/22/571624922.db2.gz KRHMJFVWLZJDDJ-RRPNLBNLSA-N 0 0 503.071 6.588 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224868691 571624978 /nfs/dbraw/zinc/62/49/78/571624978.db2.gz JMJCNCMUTJUJPS-SXOMAYOGSA-N 0 0 503.071 6.588 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Cl)cc1 ZINC000224869914 571625068 /nfs/dbraw/zinc/62/50/68/571625068.db2.gz KRXSPTNDUUNACK-JWQCQUIFSA-N 0 0 509.462 6.679 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(Br)cc1 ZINC000224870467 571625201 /nfs/dbraw/zinc/62/52/01/571625201.db2.gz PPFQTRJCCBPBLG-JWQCQUIFSA-N 0 0 553.913 6.788 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871999 571625390 /nfs/dbraw/zinc/62/53/90/571625390.db2.gz YUBPWRKAUGHNHH-RRPNLBNLSA-N 0 0 518.086 6.091 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C)c1C ZINC000224872621 571625425 /nfs/dbraw/zinc/62/54/25/571625425.db2.gz CXLAJROPSHBYPJ-KAYWLYCHSA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1c(C)cccc1C ZINC000224873100 571625471 /nfs/dbraw/zinc/62/54/71/571625471.db2.gz YOMUXASPZALCFV-BDYUSTAISA-N 0 0 503.071 6.642 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873455 571625559 /nfs/dbraw/zinc/62/55/59/571625559.db2.gz DOKLPSPSMXGEGQ-UIOOFZCWSA-N 0 0 519.026 5.754 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(Cl)ccc1C ZINC000224874268 571625589 /nfs/dbraw/zinc/62/55/89/571625589.db2.gz SBSOWQIIKPIOBI-FTJBHMTQSA-N 0 0 523.489 6.987 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874642 571625664 /nfs/dbraw/zinc/62/56/64/571625664.db2.gz LQUITENKAIZQHZ-IZZNHLLZSA-N 0 0 539.488 6.687 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C ZINC000224874684 571625696 /nfs/dbraw/zinc/62/56/96/571625696.db2.gz LQUITENKAIZQHZ-UIOOFZCWSA-N 0 0 539.488 6.687 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224890010 571627187 /nfs/dbraw/zinc/62/71/87/571627187.db2.gz BGHSPEROQAJRCF-FTJBHMTQSA-N 0 0 524.587 7.133 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224900102 571628147 /nfs/dbraw/zinc/62/81/47/571628147.db2.gz XGTSSDFPMPFHHA-UIOOFZCWSA-N 0 0 535.486 6.876 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224903387 571628390 /nfs/dbraw/zinc/62/83/90/571628390.db2.gz CHEDSQSUHXTGRB-SVBPBHIXSA-N 0 0 531.613 6.031 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224903314 571628405 /nfs/dbraw/zinc/62/84/05/571628405.db2.gz CHEDSQSUHXTGRB-SXOMAYOGSA-N 0 0 531.613 6.031 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224915954 571629555 /nfs/dbraw/zinc/62/95/55/571629555.db2.gz YBWZMHMNVHNRMN-SVBPBHIXSA-N 0 0 514.626 5.900 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1 ZINC000224927249 571630806 /nfs/dbraw/zinc/63/08/06/571630806.db2.gz CZOILTCEQVADSX-FTJBHMTQSA-N 0 0 517.496 6.737 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000224927795 571630844 /nfs/dbraw/zinc/63/08/44/571630844.db2.gz BXGZSAIBWQCORP-SXOMAYOGSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000224927650 571630859 /nfs/dbraw/zinc/63/08/59/571630859.db2.gz BCMLOWUDENLOMW-RRPNLBNLSA-N 0 0 531.523 7.046 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224927937 571630865 /nfs/dbraw/zinc/63/08/65/571630865.db2.gz WNEZUEVSKWUFQM-CLJLJLNGSA-N 0 0 585.493 7.756 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1Cl ZINC000224929081 571631021 /nfs/dbraw/zinc/63/10/21/571631021.db2.gz QJBJVJFFRZAXGT-UIOOFZCWSA-N 0 0 551.941 7.391 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000224930265 571631124 /nfs/dbraw/zinc/63/11/24/571631124.db2.gz FUZXLWBVBPOKAZ-IZZNHLLZSA-N 0 0 533.495 6.443 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224931232 571631211 /nfs/dbraw/zinc/63/12/11/571631211.db2.gz NZVKUXLSXMSHGZ-VSGBNLITSA-N 0 0 560.565 6.803 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000224932087 571631248 /nfs/dbraw/zinc/63/12/48/571631248.db2.gz XRRVMMGUJKTHDY-VSGBNLITSA-N 0 0 545.550 7.354 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000224932668 571631309 /nfs/dbraw/zinc/63/13/09/571631309.db2.gz KFJBAKAARMPASZ-RRPNLBNLSA-N 0 0 561.505 6.466 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000224934443 571631497 /nfs/dbraw/zinc/63/14/97/571631497.db2.gz OYECIHJNQCNVGX-IZZNHLLZSA-N 0 0 532.511 6.441 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)cc1 ZINC000224945053 571632581 /nfs/dbraw/zinc/63/25/81/571632581.db2.gz HFKUHRWFXLNNTB-UIOOFZCWSA-N 0 0 533.495 6.437 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000224949245 571632958 /nfs/dbraw/zinc/63/29/58/571632958.db2.gz ITBFCXNZOQSTQS-FTJBHMTQSA-N 0 0 557.041 7.347 40 10 KKCBRN COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4cccc(Br)c4)o3)CC2)cc1 ZINC000224955138 571633459 /nfs/dbraw/zinc/63/34/59/571633459.db2.gz WNESUEFZLFQFEV-UHFFFAOYSA-N 0 0 518.411 5.742 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224957746 571633754 /nfs/dbraw/zinc/63/37/54/571633754.db2.gz CMICWIGXZLOYSX-VSGBNLITSA-N 0 0 517.098 6.891 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000224958351 571633774 /nfs/dbraw/zinc/63/37/74/571633774.db2.gz SLIRZQZFAZFUJQ-IZZNHLLZSA-N 0 0 507.034 6.467 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000224958619 571633859 /nfs/dbraw/zinc/63/38/59/571633859.db2.gz NPJKHAJOTHGCIN-UIOOFZCWSA-N 0 0 523.489 6.982 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl ZINC000224959660 571633958 /nfs/dbraw/zinc/63/39/58/571633958.db2.gz KVJFVYFAZBIVGY-FTJBHMTQSA-N 0 0 505.043 6.034 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl ZINC000224961170 571634146 /nfs/dbraw/zinc/63/41/46/571634146.db2.gz PGALNFYQKPWILY-UIOOFZCWSA-N 0 0 557.934 7.635 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl ZINC000224961767 571634207 /nfs/dbraw/zinc/63/42/07/571634207.db2.gz PQSJLEMHAHSVJF-XTEPFMGCSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl ZINC000224961513 571634210 /nfs/dbraw/zinc/63/42/10/571634210.db2.gz BIFGNNYEIHOCQO-NSOVKSMOSA-N 0 0 517.098 6.945 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1Cl ZINC000224963908 571634472 /nfs/dbraw/zinc/63/44/72/571634472.db2.gz XVHXSPUZWSPSOJ-CLJLJLNGSA-N 0 0 504.059 6.032 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224974892 571635436 /nfs/dbraw/zinc/63/54/36/571635436.db2.gz GRJSRAGOIHZRLK-SVBPBHIXSA-N 0 0 547.080 6.115 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224986468 571636484 /nfs/dbraw/zinc/63/64/84/571636484.db2.gz NIIXQAYNTDODNL-CZNDPXEESA-N 0 0 584.233 8.118 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224986246 571636500 /nfs/dbraw/zinc/63/65/00/571636500.db2.gz ODKXFSIFXRPHLL-CONSDPRKSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F ZINC000224986165 571636507 /nfs/dbraw/zinc/63/65/07/571636507.db2.gz ODKXFSIFXRPHLL-JSOSNVBQSA-N 0 0 624.176 8.575 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000224986813 571636570 /nfs/dbraw/zinc/63/65/70/571636570.db2.gz ACLWYUOZRVLTNY-FIRIVFDPSA-N 0 0 574.169 7.695 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000224987762 571636648 /nfs/dbraw/zinc/63/66/48/571636648.db2.gz KEXFLWQJGSQFEX-IOWSJCHKSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000224988023 571636680 /nfs/dbraw/zinc/63/66/80/571636680.db2.gz TVGOCJHMFZLHAW-FIRIVFDPSA-N 0 0 635.075 8.318 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000224989419 571636838 /nfs/dbraw/zinc/63/68/38/571636838.db2.gz HXFXKZXPTRSTKS-SAIUNTKASA-N 0 0 599.248 7.622 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000224989708 571636863 /nfs/dbraw/zinc/63/68/63/571636863.db2.gz BLHWRRFOEXAMQQ-FIRIVFDPSA-N 0 0 625.069 8.863 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cccc1C ZINC000224990443 571636943 /nfs/dbraw/zinc/63/69/43/571636943.db2.gz RCFFQQSCRUHHLZ-CQTOTRCISA-N 0 0 584.233 8.173 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000224990893 571637012 /nfs/dbraw/zinc/63/70/12/571637012.db2.gz NWKVMNRRMULWCQ-ZFEZZJPFSA-N 0 0 598.260 8.481 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c1C ZINC000224992314 571637221 /nfs/dbraw/zinc/63/72/21/571637221.db2.gz WBJNMJVCNMMEMM-TWJUONSBSA-N 0 0 598.260 8.427 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21 ZINC000225036288 571640993 /nfs/dbraw/zinc/64/09/93/571640993.db2.gz MBPHZYYOCQMOAW-VSGBNLITSA-N 0 0 532.157 6.841 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225039225 571641223 /nfs/dbraw/zinc/64/12/23/571641223.db2.gz GWJXRVQSNYSAJK-NSOVKSMOSA-N 0 0 532.113 6.323 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1 ZINC000225045506 571641734 /nfs/dbraw/zinc/64/17/34/571641734.db2.gz WEFYPQCLXJYNTR-URLMMPGGSA-N 0 0 511.695 5.972 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225046290 571641821 /nfs/dbraw/zinc/64/18/21/571641821.db2.gz ITZLXAISAFQQMH-LOYHVIPDSA-N 0 0 524.738 6.030 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048280 571642015 /nfs/dbraw/zinc/64/20/15/571642015.db2.gz HVQJBGJOURUYPB-URLMMPGGSA-N 0 0 556.692 5.881 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048195 571642025 /nfs/dbraw/zinc/64/20/25/571642025.db2.gz HVQJBGJOURUYPB-FQLXRVMXSA-N 0 0 556.692 5.881 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C ZINC000225048947 571642128 /nfs/dbraw/zinc/64/21/28/571642128.db2.gz YRJPXTOLPCPSBA-URLMMPGGSA-N 0 0 546.140 6.626 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225060519 571643101 /nfs/dbraw/zinc/64/31/01/571643101.db2.gz PENBHNXXBDWBCO-URLMMPGGSA-N 0 0 539.705 5.750 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225064066 571643422 /nfs/dbraw/zinc/64/34/22/571643422.db2.gz VEWNTPCFGQINHA-AARKOHAPSA-N 0 0 658.828 6.520 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225063901 571643461 /nfs/dbraw/zinc/64/34/61/571643461.db2.gz MRTAVDPBQAPYQJ-SAIUNTKASA-N 0 0 641.719 7.703 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225070925 571644055 /nfs/dbraw/zinc/64/40/55/571644055.db2.gz VRFGZGOAQAUIKO-BCRBLDSWSA-N 0 0 623.782 7.837 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225071981 571644150 /nfs/dbraw/zinc/64/41/50/571644150.db2.gz JAUZRVKQEBDOTD-HEVIKAOCSA-N 0 0 587.749 6.992 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(F)c1 ZINC000225072789 571644283 /nfs/dbraw/zinc/64/42/83/571644283.db2.gz AIQWFJKYUKRCAI-SAIUNTKASA-N 0 0 591.712 6.823 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000225073112 571644286 /nfs/dbraw/zinc/64/42/86/571644286.db2.gz VFFOIEGVFDABQK-CZNDPXEESA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Cl ZINC000225073150 571644288 /nfs/dbraw/zinc/64/42/88/571644288.db2.gz VFFOIEGVFDABQK-SAIUNTKASA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1Br ZINC000225073607 571644300 /nfs/dbraw/zinc/64/43/00/571644300.db2.gz YBFNCITXGMYRGV-CZNDPXEESA-N 0 0 652.618 7.446 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225073555 571644331 /nfs/dbraw/zinc/64/43/31/571644331.db2.gz VGFCYWBTSYIWND-LQJZCPKCSA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225073484 571644343 /nfs/dbraw/zinc/64/43/43/571644343.db2.gz VGFCYWBTSYIWND-SAIUNTKASA-N 0 0 608.167 7.337 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225075352 571644548 /nfs/dbraw/zinc/64/45/48/571644548.db2.gz RROSRKYGIGIANB-GPOMZPHUSA-N 0 0 616.791 6.750 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225076207 571644657 /nfs/dbraw/zinc/64/46/57/571644657.db2.gz GYEAQFQHWLUVAB-VSJLXWSYSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225076584 571644680 /nfs/dbraw/zinc/64/46/80/571644680.db2.gz WHRQRJQQPLAMQY-GPOMZPHUSA-N 0 0 601.776 7.301 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225077124 571644724 /nfs/dbraw/zinc/64/47/24/571644724.db2.gz MCOICUNRFVTIKS-SZAHLOSFSA-N 0 0 622.194 7.646 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C)ccn1 ZINC000225078406 571644870 /nfs/dbraw/zinc/64/48/70/571644870.db2.gz VVZYYRJPIYNAKQ-SAIUNTKASA-N 0 0 588.737 6.387 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225078123 571644890 /nfs/dbraw/zinc/64/48/90/571644890.db2.gz YWKMJVGWETXZCA-SZAHLOSFSA-N 0 0 648.745 6.601 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ncccc1C ZINC000225078535 571644901 /nfs/dbraw/zinc/64/49/01/571644901.db2.gz CVRDLICWRBCSEU-ROJLCIKYSA-N 0 0 588.737 6.387 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C)cn1 ZINC000225078716 571644945 /nfs/dbraw/zinc/64/49/45/571644945.db2.gz AACJUYFGIVMXJC-CZNDPXEESA-N 0 0 588.737 6.387 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000225089289 571646218 /nfs/dbraw/zinc/64/62/18/571646218.db2.gz RZIOJNWFSYOQCO-NOCHOARKSA-N 0 0 631.758 6.470 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225093203 571646609 /nfs/dbraw/zinc/64/66/09/571646609.db2.gz XUILFZBBVAUFEI-CZNDPXEESA-N 0 0 638.838 6.496 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100478 571647199 /nfs/dbraw/zinc/64/71/99/571647199.db2.gz RUYWZWJLOHIFDA-KYJUHHDHSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100525 571647208 /nfs/dbraw/zinc/64/72/08/571647208.db2.gz RUYWZWJLOHIFDA-IHLOFXLRSA-N 0 0 567.759 6.968 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225100654 571647228 /nfs/dbraw/zinc/64/72/28/571647228.db2.gz IYBJDQXUAMLVKJ-KYJUHHDHSA-N 0 0 567.759 6.968 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)c1C ZINC000225101303 571647321 /nfs/dbraw/zinc/64/73/21/571647321.db2.gz CTESSJHBZBBPHW-CONSDPRKSA-N 0 0 581.786 7.222 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225101983 571647344 /nfs/dbraw/zinc/64/73/44/571647344.db2.gz PFNWGQRFLJZGOF-FQLXRVMXSA-N 0 0 571.722 6.799 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103202 571647493 /nfs/dbraw/zinc/64/74/93/571647493.db2.gz KUMWXVXBNXBYHN-VMPREFPWSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103248 571647524 /nfs/dbraw/zinc/64/75/24/571647524.db2.gz KUMWXVXBNXBYHN-WDYNHAJCSA-N 0 0 569.731 6.365 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106229 571647814 /nfs/dbraw/zinc/64/78/14/571647814.db2.gz MYRVGJQTZHYEBW-LOYHVIPDSA-N 0 0 628.755 6.576 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106836 571647895 /nfs/dbraw/zinc/64/78/95/571647895.db2.gz GSXMIDQCWJVBQQ-IHLOFXLRSA-N 0 0 618.203 7.321 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106865 571647930 /nfs/dbraw/zinc/64/79/30/571647930.db2.gz GSXMIDQCWJVBQQ-XZWHSSHBSA-N 0 0 618.203 7.321 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)(C)C)c(OC)c2)cc1 ZINC000225118074 571649177 /nfs/dbraw/zinc/64/91/77/571649177.db2.gz BQEAIIGYAGMWMH-VMPREFPWSA-N 0 0 569.731 6.360 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225122194 571649525 /nfs/dbraw/zinc/64/95/25/571649525.db2.gz WZDNPQUDZKRPEK-ZWXJPIIXSA-N 0 0 629.230 6.751 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1O ZINC000225125872 571649892 /nfs/dbraw/zinc/64/98/92/571649892.db2.gz WQNIDSGFWTYYRO-WUFINQPMSA-N 0 0 594.568 7.273 40 10 KKCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000225127254 571649995 /nfs/dbraw/zinc/64/99/95/571649995.db2.gz QIHJGXYNSCMGFV-UHFFFAOYSA-N 0 0 554.034 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000225129222 571650107 /nfs/dbraw/zinc/65/01/07/571650107.db2.gz BFZIWDNYLDCVFF-WDYNHAJCSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000225129475 571650131 /nfs/dbraw/zinc/65/01/31/571650131.db2.gz UBDYPWJCCVDRSC-VMPREFPWSA-N 0 0 558.151 7.223 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1F ZINC000225130262 571650171 /nfs/dbraw/zinc/65/01/71/571650171.db2.gz LKNLGMWZVAFALB-WUFINQPMSA-N 0 0 562.114 7.053 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1Br ZINC000225131149 571650218 /nfs/dbraw/zinc/65/02/18/571650218.db2.gz SZCPUBLVOFETGS-VSGBNLITSA-N 0 0 623.020 7.677 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132980 571650387 /nfs/dbraw/zinc/65/03/87/571650387.db2.gz KQUUSWACTJNYEO-ZWXJPIIXSA-N 0 0 615.247 7.760 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225133311 571650434 /nfs/dbraw/zinc/65/04/34/571650434.db2.gz UHCUOJSHPXPXTG-IZLXSDGUSA-N 0 0 613.014 8.221 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225134113 571650480 /nfs/dbraw/zinc/65/04/80/571650480.db2.gz MDRHCQPEVUTJAT-WDYNHAJCSA-N 0 0 588.133 6.643 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225133962 571650505 /nfs/dbraw/zinc/65/05/05/571650505.db2.gz FTANXPZGMBNMGA-IHLOFXLRSA-N 0 0 572.178 7.531 40 10 KKCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c1C ZINC000225135284 571650627 /nfs/dbraw/zinc/65/06/27/571650627.db2.gz JRNHQBUCMFPFBB-URLMMPGGSA-N 0 0 608.595 7.576 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C)cn1 ZINC000225136002 571650679 /nfs/dbraw/zinc/65/06/79/571650679.db2.gz OASRJNHRDMGXJT-IZLXSDGUSA-N 0 0 559.139 6.618 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)cc1 ZINC000225145579 571651896 /nfs/dbraw/zinc/65/18/96/571651896.db2.gz KDZRBSONXMNBHN-IZLXSDGUSA-N 0 0 560.123 6.614 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225157095 571653037 /nfs/dbraw/zinc/65/30/37/571653037.db2.gz VGNDRVCCSMRRGI-KYJUHHDHSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1C ZINC000225157200 571653038 /nfs/dbraw/zinc/65/30/38/571653038.db2.gz VGNDRVCCSMRRGI-LOYHVIPDSA-N 0 0 523.706 6.632 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225156693 571653056 /nfs/dbraw/zinc/65/30/56/571653056.db2.gz IKOSZURZUYUDAR-FQLXRVMXSA-N 0 0 509.679 6.323 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C ZINC000225160627 571653325 /nfs/dbraw/zinc/65/33/25/571653325.db2.gz LHLOSULIHOBJAF-FIRIVFDPSA-N 0 0 552.748 6.389 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C ZINC000225161349 571653384 /nfs/dbraw/zinc/65/33/84/571653384.db2.gz IIUHWRCWEHELQS-FIRIVFDPSA-N 0 0 537.733 6.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1C ZINC000225163211 571653572 /nfs/dbraw/zinc/65/35/72/571653572.db2.gz FLZCZQAORBCGTR-XZWHSSHBSA-N 0 0 574.150 6.985 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225163813 571653655 /nfs/dbraw/zinc/65/36/55/571653655.db2.gz YQYKKJNKOVZPKZ-NSOVKSMOSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C ZINC000225163890 571653663 /nfs/dbraw/zinc/65/36/63/571653663.db2.gz YQYKKJNKOVZPKZ-WUFINQPMSA-N 0 0 524.694 6.027 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1OC ZINC000225177922 571654934 /nfs/dbraw/zinc/65/49/34/571654934.db2.gz GXZRCUOJUGNWRT-LQJZCPKCSA-N 0 0 610.784 5.860 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1OC ZINC000225178877 571655014 /nfs/dbraw/zinc/65/50/14/571655014.db2.gz CEUZEPWVHPRSKA-VMPREFPWSA-N 0 0 576.166 6.901 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1OC ZINC000225181711 571655344 /nfs/dbraw/zinc/65/53/44/571655344.db2.gz NAPNFIYGOWBWEY-VMPREFPWSA-N 0 0 576.122 6.382 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1OC ZINC000225184496 571655630 /nfs/dbraw/zinc/65/56/30/571655630.db2.gz YLZSOOYRWMYOLL-JHOUSYSJSA-N 0 0 575.738 7.177 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1OC ZINC000225185083 571655658 /nfs/dbraw/zinc/65/56/58/571655658.db2.gz MCEJQMWAUZFQTA-KYJUHHDHSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC ZINC000225185441 571655718 /nfs/dbraw/zinc/65/57/18/571655718.db2.gz DBGCQOJSAWJJLM-IHLOFXLRSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC ZINC000225185311 571655750 /nfs/dbraw/zinc/65/57/50/571655750.db2.gz NHWXLUIBJWRPDG-XZWHSSHBSA-N 0 0 539.705 6.332 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1OC ZINC000225186036 571655772 /nfs/dbraw/zinc/65/57/72/571655772.db2.gz LCFPVCMSAYICRM-VMPREFPWSA-N 0 0 543.668 6.162 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC ZINC000225186516 571655852 /nfs/dbraw/zinc/65/58/52/571655852.db2.gz XCLUROUUQAOQAN-VMPREFPWSA-N 0 0 560.123 6.677 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC ZINC000225189141 571656167 /nfs/dbraw/zinc/65/61/67/571656167.db2.gz JSEWGIYDKIBXHH-URLMMPGGSA-N 0 0 594.568 7.330 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OC ZINC000225190155 571656237 /nfs/dbraw/zinc/65/62/37/571656237.db2.gz XAORHLWASPRSPQ-IHLOFXLRSA-N 0 0 569.687 5.752 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1OC ZINC000225190291 571656266 /nfs/dbraw/zinc/65/62/66/571656266.db2.gz KBDGKWDOLMMASX-CDZUIXILSA-N 0 0 567.759 6.949 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1OC ZINC000225190231 571656267 /nfs/dbraw/zinc/65/62/67/571656267.db2.gz XAORHLWASPRSPQ-LOYHVIPDSA-N 0 0 569.687 5.752 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1OC ZINC000225190858 571656290 /nfs/dbraw/zinc/65/62/90/571656290.db2.gz PPKZNRIEZMNOBW-IHLOFXLRSA-N 0 0 600.701 5.940 40 10 KKCBRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1OC ZINC000225191653 571656410 /nfs/dbraw/zinc/65/64/10/571656410.db2.gz BXEQOYHMVWNJNU-LOYHVIPDSA-N 0 0 600.701 5.940 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000225207203 571657933 /nfs/dbraw/zinc/65/79/33/571657933.db2.gz GFLVYDJIMDRNCJ-NSOVKSMOSA-N 0 0 562.139 6.129 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000225218462 571659090 /nfs/dbraw/zinc/65/90/90/571659090.db2.gz RXLMDHMIEZBDAW-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 ZINC000225230644 571660484 /nfs/dbraw/zinc/66/04/84/571660484.db2.gz FZRXHHOTGJJITL-URLMMPGGSA-N 0 0 569.687 5.038 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl ZINC000225236321 571661057 /nfs/dbraw/zinc/66/10/57/571661057.db2.gz GBGMZRDURHOTCF-RRPNLBNLSA-N 0 0 547.084 5.300 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1Cl ZINC000225237987 571661230 /nfs/dbraw/zinc/66/12/30/571661230.db2.gz XXXQPPKOEAHLHJ-WUFINQPMSA-N 0 0 596.540 6.264 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1Cl ZINC000225240627 571661493 /nfs/dbraw/zinc/66/14/93/571661493.db2.gz JTBYYSYAFXXQMG-AJQTZOPKSA-N 0 0 596.156 7.058 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225242069 571661693 /nfs/dbraw/zinc/66/16/93/571661693.db2.gz NPBSJOYOVJOEFF-LOYHVIPDSA-N 0 0 574.150 6.467 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C ZINC000225241974 571661720 /nfs/dbraw/zinc/66/17/20/571661720.db2.gz CXOGEDBYJCRSAJ-XZWHSSHBSA-N 0 0 574.150 6.467 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000225243515 571661836 /nfs/dbraw/zinc/66/18/36/571661836.db2.gz ATZCMQKIJSSWOL-NSOVKSMOSA-N 0 0 624.992 6.667 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000225243552 571661913 /nfs/dbraw/zinc/66/19/13/571661913.db2.gz ATZCMQKIJSSWOL-IZLXSDGUSA-N 0 0 624.992 6.667 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225245084 571662022 /nfs/dbraw/zinc/66/20/22/571662022.db2.gz UKMKITVWGPPEAI-ACHIHNKUSA-N 0 0 617.219 6.751 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1Cl ZINC000225246848 571662238 /nfs/dbraw/zinc/66/22/38/571662238.db2.gz MUEUKYBPKBPLQR-FQLXRVMXSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1Cl ZINC000225247505 571662281 /nfs/dbraw/zinc/66/22/81/571662281.db2.gz YXFJWMZLPKHNCC-FQLXRVMXSA-N 0 0 621.119 5.821 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1Cl ZINC000225247938 571662338 /nfs/dbraw/zinc/66/23/38/571662338.db2.gz REUGCNTWLNLMTR-RRPNLBNLSA-N 0 0 561.111 5.608 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C ZINC000225267510 571664585 /nfs/dbraw/zinc/66/45/85/571664585.db2.gz PPRQLVLIUKUGAT-URLMMPGGSA-N 0 0 525.678 5.560 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1C ZINC000225267800 571664632 /nfs/dbraw/zinc/66/46/32/571664632.db2.gz VHALIHZXWBEALM-XZWHSSHBSA-N 0 0 539.705 5.868 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C ZINC000225268992 571664773 /nfs/dbraw/zinc/66/47/73/571664773.db2.gz YMPOXIZHTJKKSQ-VMPREFPWSA-N 0 0 560.123 6.213 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1C ZINC000225269548 571664826 /nfs/dbraw/zinc/66/48/26/571664826.db2.gz CXAGBRAVAAPUMN-FQLXRVMXSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C ZINC000225269666 571664856 /nfs/dbraw/zinc/66/48/56/571664856.db2.gz DZLRSRWZBRSHMP-URLMMPGGSA-N 0 0 604.574 6.322 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C ZINC000225269893 571664884 /nfs/dbraw/zinc/66/48/84/571664884.db2.gz MAWQZTICZKGTSI-VMPREFPWSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C ZINC000225270058 571664903 /nfs/dbraw/zinc/66/49/03/571664903.db2.gz PCIDDZYRVSMITD-VMPREFPWSA-N 0 0 541.677 5.265 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C ZINC000225271395 571665079 /nfs/dbraw/zinc/66/50/79/571665079.db2.gz PNNVAAFIYKIGQT-URLMMPGGSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C ZINC000225271524 571665084 /nfs/dbraw/zinc/66/50/84/571665084.db2.gz PJGMRNOWSAPSIF-WDYNHAJCSA-N 0 0 594.568 6.866 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1C ZINC000225273633 571665346 /nfs/dbraw/zinc/66/53/46/571665346.db2.gz PKUHSLVNMAWCCK-KYJUHHDHSA-N 0 0 600.701 5.476 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C ZINC000225283611 571666305 /nfs/dbraw/zinc/66/63/05/571666305.db2.gz OWYWQDMKMVAIME-WUFINQPMSA-N 0 0 511.651 5.251 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1C ZINC000225284007 571666315 /nfs/dbraw/zinc/66/63/15/571666315.db2.gz JJIKZFJZYZSVSI-KYJUHHDHSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1C ZINC000225284429 571666376 /nfs/dbraw/zinc/66/63/76/571666376.db2.gz AJWWAGFWLZSHMA-LOYHVIPDSA-N 0 0 583.714 5.346 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1OC ZINC000225288224 571666858 /nfs/dbraw/zinc/66/68/58/571666858.db2.gz SIMAJXYNULNUFU-LQJZCPKCSA-N 0 0 626.783 5.096 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1OC ZINC000225288265 571666893 /nfs/dbraw/zinc/66/68/93/571666893.db2.gz SIMAJXYNULNUFU-SAIUNTKASA-N 0 0 626.783 5.096 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1OC ZINC000225291494 571667281 /nfs/dbraw/zinc/66/72/81/571667281.db2.gz BZRZKGRTMMZSJI-WDYNHAJCSA-N 0 0 592.121 5.619 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1OC ZINC000225294543 571667683 /nfs/dbraw/zinc/66/76/83/571667683.db2.gz IIXPLJVKSWWXBD-XZWHSSHBSA-N 0 0 555.704 5.568 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC ZINC000225295627 571667911 /nfs/dbraw/zinc/66/79/11/571667911.db2.gz RZFLAQSVVJALRV-VMPREFPWSA-N 0 0 559.667 5.399 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225297979 571668282 /nfs/dbraw/zinc/66/82/82/571668282.db2.gz SHUDQFLXSDBCLS-CZNDPXEESA-N 0 0 612.800 6.106 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298011 571668302 /nfs/dbraw/zinc/66/83/02/571668302.db2.gz SHUDQFLXSDBCLS-SAIUNTKASA-N 0 0 612.800 6.106 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1OC ZINC000225298839 571668409 /nfs/dbraw/zinc/66/84/09/571668409.db2.gz XOSZPNMYKPRQQT-CONSDPRKSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1OC ZINC000225298791 571668418 /nfs/dbraw/zinc/66/84/18/571668418.db2.gz WPHGMZRHNLDIBO-BVRKHOPBSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1OC ZINC000225298939 571668450 /nfs/dbraw/zinc/66/84/50/571668450.db2.gz XOSZPNMYKPRQQT-FIRIVFDPSA-N 0 0 569.731 5.877 40 10 KKCBRN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)ccc1OC ZINC000225309021 571669758 /nfs/dbraw/zinc/66/97/58/571669758.db2.gz XASRUDVEJJLUJQ-LOYHVIPDSA-N 0 0 599.713 5.046 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1NC(C)=O ZINC000225311932 571670395 /nfs/dbraw/zinc/67/03/95/571670395.db2.gz JNOLQYHLIHSRQS-WUFINQPMSA-N 0 0 579.648 6.652 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1NC(C)=O ZINC000225317613 571671919 /nfs/dbraw/zinc/67/19/19/571671919.db2.gz RGNPLZAKCOHFQF-ACHIHNKUSA-N 0 0 561.711 6.786 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1NC(C)=O ZINC000225319485 571673141 /nfs/dbraw/zinc/67/31/41/571673141.db2.gz SUYUCFNQINRORV-WUFINQPMSA-N 0 0 546.096 6.287 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NC(C)=O ZINC000225319372 571673207 /nfs/dbraw/zinc/67/32/07/571673207.db2.gz LVRUXXPGWYQLKZ-IZLXSDGUSA-N 0 0 529.641 5.772 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NC(C)=O ZINC000225319932 571674384 /nfs/dbraw/zinc/67/43/84/571674384.db2.gz JRIQDACOPIVELN-NSOVKSMOSA-N 0 0 527.650 5.339 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)c1 ZINC000225320069 571674902 /nfs/dbraw/zinc/67/49/02/571674902.db2.gz AVWFZODOWWWNFG-WDYNHAJCSA-N 0 0 541.677 5.642 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1NC(C)=O ZINC000225321016 571676252 /nfs/dbraw/zinc/67/62/52/571676252.db2.gz VYKYJIYOADOQDJ-IZLXSDGUSA-N 0 0 580.541 6.940 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1NC(C)=O ZINC000225321279 571676794 /nfs/dbraw/zinc/67/67/94/571676794.db2.gz LPSZOAIFRDUMFL-KYJUHHDHSA-N 0 0 539.705 6.250 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000225332586 571690638 /nfs/dbraw/zinc/69/06/38/571690638.db2.gz AODOJXVHNARUEO-WUFINQPMSA-N 0 0 527.650 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225339682 571698900 /nfs/dbraw/zinc/69/89/00/571698900.db2.gz FBLCNPAJTGNFIU-NSOVKSMOSA-N 0 0 533.097 6.812 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225343882 571703340 /nfs/dbraw/zinc/70/33/40/571703340.db2.gz HAAQTHDJNJSANU-VSGBNLITSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(F)c1 ZINC000225343933 571703506 /nfs/dbraw/zinc/70/35/06/571703506.db2.gz HAAQTHDJNJSANU-WUFINQPMSA-N 0 0 500.643 6.593 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225344518 571704075 /nfs/dbraw/zinc/70/40/75/571704075.db2.gz ORUGTFYBAYOQFI-NSOVKSMOSA-N 0 0 517.098 7.107 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000225347822 571708297 /nfs/dbraw/zinc/70/82/97/571708297.db2.gz LUWGUQWOEBNSMF-URLMMPGGSA-N 0 0 531.125 7.415 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801511 571709317 /nfs/dbraw/zinc/70/93/17/571709317.db2.gz AKYZSTBRVXIJCE-VQTJNVASSA-N 0 0 556.153 6.041 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225359289 571720684 /nfs/dbraw/zinc/72/06/84/571720684.db2.gz IVWCYGVOXUDDBG-URLMMPGGSA-N 0 0 540.689 6.240 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000225363200 571725860 /nfs/dbraw/zinc/72/58/60/571725860.db2.gz FLDPHSVHBQIPCH-LOYHVIPDSA-N 0 0 559.179 7.865 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccn1 ZINC000225364169 571726694 /nfs/dbraw/zinc/72/66/94/571726694.db2.gz MOCUVWKDVGYAMX-FQLXRVMXSA-N 0 0 509.679 6.383 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225365795 571729403 /nfs/dbraw/zinc/72/94/03/571729403.db2.gz IQQFOIGVMRDLBD-KYJUHHDHSA-N 0 0 559.135 7.347 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C ZINC000225368731 571733315 /nfs/dbraw/zinc/73/33/15/571733315.db2.gz AWXOUUQCBLEQJB-CONSDPRKSA-N 0 0 522.718 7.296 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225369946 571734929 /nfs/dbraw/zinc/73/49/29/571734929.db2.gz XOXDCGQWSNDCFP-KYJUHHDHSA-N 0 0 526.681 7.127 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225370410 571735599 /nfs/dbraw/zinc/73/55/99/571735599.db2.gz JIVUQALJDXRYAY-KYJUHHDHSA-N 0 0 543.136 7.641 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)c1 ZINC000225371336 571736187 /nfs/dbraw/zinc/73/61/87/571736187.db2.gz YSEYGLUDCDCOEY-CONSDPRKSA-N 0 0 538.717 6.996 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C)c1C ZINC000225372642 571738489 /nfs/dbraw/zinc/73/84/89/571738489.db2.gz HCFWMOVFYDEDOB-ACHIHNKUSA-N 0 0 536.745 7.604 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C)ccc1C ZINC000225372795 571738513 /nfs/dbraw/zinc/73/85/13/571738513.db2.gz XNYASLQIDIWCJM-ACHIHNKUSA-N 0 0 536.745 7.604 40 10 KKCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1C ZINC000225373651 571739533 /nfs/dbraw/zinc/73/95/33/571739533.db2.gz WMBWLEYANXXEBN-IOWSJCHKSA-N 0 0 583.714 6.904 40 10 KKCBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260851120 571751289 /nfs/dbraw/zinc/75/12/89/571751289.db2.gz GFLVYDJIMDRNCJ-VSGBNLITSA-N 0 0 562.139 6.129 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)cc21 ZINC000260851114 571751353 /nfs/dbraw/zinc/75/13/53/571751353.db2.gz FLDPHSVHBQIPCH-XZWHSSHBSA-N 0 0 559.179 7.865 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260851167 571751371 /nfs/dbraw/zinc/75/13/71/571751371.db2.gz HUPYIVHSLOUPJW-LOYHVIPDSA-N 0 0 574.194 6.930 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000260851190 571751484 /nfs/dbraw/zinc/75/14/84/571751484.db2.gz ITVQOTJSWMQFKQ-KAYWLYCHSA-N 0 0 547.750 5.570 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225383369 571752078 /nfs/dbraw/zinc/75/20/78/571752078.db2.gz ZFCPOLUJNCCADT-FIRIVFDPSA-N 0 0 566.727 6.774 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000260852608 571752850 /nfs/dbraw/zinc/75/28/50/571752850.db2.gz UTNUDIQYYOKRQF-FQLXRVMXSA-N 0 0 525.722 6.023 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000260852510 571752947 /nfs/dbraw/zinc/75/29/47/571752947.db2.gz QPQKGLBOJAMLLO-RRPNLBNLSA-N 0 0 563.749 5.271 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852535 571752966 /nfs/dbraw/zinc/75/29/66/571752966.db2.gz RFTXGSXVXXGCOM-WUFINQPMSA-N 0 0 594.612 7.792 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)cc21 ZINC000260852624 571752979 /nfs/dbraw/zinc/75/29/79/571752979.db2.gz VBXFRVHLIPXLKN-IZLXSDGUSA-N 0 0 564.130 6.507 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)cc21 ZINC000260852594 571752984 /nfs/dbraw/zinc/75/29/84/571752984.db2.gz TVDXTDUDOBYYNR-NSOVKSMOSA-N 0 0 560.167 7.138 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225394881 571763782 /nfs/dbraw/zinc/76/37/82/571763782.db2.gz JRCQUGJKDJCHMZ-IZZNHLLZSA-N 0 0 535.670 5.177 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl ZINC000225395061 571764392 /nfs/dbraw/zinc/76/43/92/571764392.db2.gz ADWOVFGJRLFCTL-IZZNHLLZSA-N 0 0 552.125 5.691 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225395468 571764801 /nfs/dbraw/zinc/76/48/01/571764801.db2.gz BYAGOOGOESXLGP-UIOOFZCWSA-N 0 0 552.125 5.691 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225396615 571766014 /nfs/dbraw/zinc/76/60/14/571766014.db2.gz XPKJJXGAFHLWJK-SXOMAYOGSA-N 0 0 547.706 5.046 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225398619 571768393 /nfs/dbraw/zinc/76/83/93/571768393.db2.gz UJURFDVORJGTTF-IZLXSDGUSA-N 0 0 545.734 5.655 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1c(C)cc(C)cc1C ZINC000225399006 571768742 /nfs/dbraw/zinc/76/87/42/571768742.db2.gz YLQRVQWPUSMLGK-PXJZQJOASA-N 0 0 559.761 5.963 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000225400472 571770514 /nfs/dbraw/zinc/77/05/14/571770514.db2.gz ZHYSEVRESWOEKB-XRKRLSELSA-N 0 0 559.761 5.909 40 10 KKCBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000225417955 571785191 /nfs/dbraw/zinc/78/51/91/571785191.db2.gz DBMUARHQNJUUIN-SVBPBHIXSA-N 0 0 598.194 5.924 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225426047 571792372 /nfs/dbraw/zinc/79/23/72/571792372.db2.gz PYPLDPJSMDORSD-KAYWLYCHSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1NS(C)(=O)=O ZINC000225426140 571792465 /nfs/dbraw/zinc/79/24/65/571792465.db2.gz VGAOGDDXJXNAIB-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1NS(C)(=O)=O ZINC000225425966 571792490 /nfs/dbraw/zinc/79/24/90/571792490.db2.gz PYPLDPJSMDORSD-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428319 571795199 /nfs/dbraw/zinc/79/51/99/571795199.db2.gz PTVYNSPXEIHDPG-JSOSNVBQSA-N 0 0 618.829 5.893 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431606 571799214 /nfs/dbraw/zinc/79/92/14/571799214.db2.gz ZFGKCQBXHVDVHA-DGPALRBDSA-N 0 0 589.787 5.917 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C ZINC000225431685 571799386 /nfs/dbraw/zinc/79/93/86/571799386.db2.gz ZFGKCQBXHVDVHA-JDXGNMNLSA-N 0 0 589.787 5.917 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1NS(C)(=O)=O ZINC000225446822 571818629 /nfs/dbraw/zinc/81/86/29/571818629.db2.gz ITVQOTJSWMQFKQ-SVBPBHIXSA-N 0 0 547.750 5.570 40 10 KKCBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1NS(C)(=O)=O ZINC000225446954 571819040 /nfs/dbraw/zinc/81/90/40/571819040.db2.gz QKLVXNISBIVIBA-SXOMAYOGSA-N 0 0 582.195 6.224 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1F ZINC000225453724 571825025 /nfs/dbraw/zinc/82/50/25/571825025.db2.gz FIOJVGRWVVFELL-KAYWLYCHSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225453879 571825658 /nfs/dbraw/zinc/82/56/58/571825658.db2.gz PVVNTUXDCVAEBQ-KAYWLYCHSA-N 0 0 549.697 5.485 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000225454429 571826169 /nfs/dbraw/zinc/82/61/69/571826169.db2.gz JZEPEMKDEYCJQE-RRPNLBNLSA-N 0 0 566.152 6.000 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225455321 571826741 /nfs/dbraw/zinc/82/67/41/571826741.db2.gz XLCVRUSNPLLLOW-KAYWLYCHSA-N 0 0 547.706 5.052 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000225455044 571826755 /nfs/dbraw/zinc/82/67/55/571826755.db2.gz FOGHGXPCDAKNEF-SXOMAYOGSA-N 0 0 610.603 6.109 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225455649 571827050 /nfs/dbraw/zinc/82/70/50/571827050.db2.gz VUJMLVZQJQSBGB-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000225456305 571827907 /nfs/dbraw/zinc/82/79/07/571827907.db2.gz BIUPLBNGOZPFFL-FQLXRVMXSA-N 0 0 574.776 5.412 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225457579 571829193 /nfs/dbraw/zinc/82/91/93/571829193.db2.gz SQGOPZWLNRFNSI-WUFINQPMSA-N 0 0 575.716 5.075 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(Cl)c1C ZINC000225457722 571829581 /nfs/dbraw/zinc/82/95/81/571829581.db2.gz QIIMDCNKZAUTBG-VSGBNLITSA-N 0 0 580.179 6.308 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225458830 571830525 /nfs/dbraw/zinc/83/05/25/571830525.db2.gz DFMNGRGYOZDBDR-SXOMAYOGSA-N 0 0 546.722 5.050 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1C ZINC000225458514 571830576 /nfs/dbraw/zinc/83/05/76/571830576.db2.gz XWJYGIXOQTYWFR-IZLXSDGUSA-N 0 0 606.730 5.263 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225458900 571831082 /nfs/dbraw/zinc/83/10/82/571831082.db2.gz DFMNGRGYOZDBDR-SVBPBHIXSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C)ccn1 ZINC000225458862 571831134 /nfs/dbraw/zinc/83/11/34/571831134.db2.gz DFMNGRGYOZDBDR-RRPNLBNLSA-N 0 0 546.722 5.050 40 10 KKCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)n1-c1ccccc1 ZINC000225467991 571839373 /nfs/dbraw/zinc/83/93/73/571839373.db2.gz VPFIAJWWZDQVLR-CLJLJLNGSA-N 0 0 517.680 5.038 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225468515 571839587 /nfs/dbraw/zinc/83/95/87/571839587.db2.gz BGEBGGGMFHGOCC-IZLXSDGUSA-N 0 0 589.743 5.133 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)c1 ZINC000225468592 571839763 /nfs/dbraw/zinc/83/97/63/571839763.db2.gz BGEBGGGMFHGOCC-NSOVKSMOSA-N 0 0 589.743 5.133 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 ZINC000260912090 571841110 /nfs/dbraw/zinc/84/11/10/571841110.db2.gz DYUXFYCZGHTFKM-IOWSJCHKSA-N 0 0 593.778 7.950 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)cc21 ZINC000260912129 571841185 /nfs/dbraw/zinc/84/11/85/571841185.db2.gz FGXJIOOQCXNPSM-LQJZCPKCSA-N 0 0 589.765 6.908 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000260914343 571844416 /nfs/dbraw/zinc/84/44/16/571844416.db2.gz GJYCMRTZEGGRDN-FGCOXFRFSA-N 0 0 500.590 5.659 40 10 KKCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260914545 571844720 /nfs/dbraw/zinc/84/47/20/571844720.db2.gz GRROYUDVQOYLTR-XTOBZSLNSA-N 0 0 598.260 8.364 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C ZINC000260916264 571847940 /nfs/dbraw/zinc/84/79/40/571847940.db2.gz IDELWIIDLWQHFM-SNRDUXDUSA-N 0 0 584.233 8.110 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1C ZINC000260916429 571848448 /nfs/dbraw/zinc/84/84/48/571848448.db2.gz IVCDCTNRRCANGH-ZVUFWCIGSA-N 0 0 618.678 8.764 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260916529 571848586 /nfs/dbraw/zinc/84/85/86/571848586.db2.gz JHGWCQNTYKRIGY-XPTBSDKWSA-N 0 0 598.260 8.364 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1NS(C)(=O)=O ZINC000225479033 571849018 /nfs/dbraw/zinc/84/90/18/571849018.db2.gz HGOKHUGEUDXCQC-NSOVKSMOSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225479431 571849542 /nfs/dbraw/zinc/84/95/42/571849542.db2.gz HXVCDNHPJWLRHL-VSGBNLITSA-N 0 0 561.733 5.355 40 10 KKCBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NS(C)(=O)=O ZINC000225480608 571850898 /nfs/dbraw/zinc/85/08/98/571850898.db2.gz CJKAGEXRZTWZGL-RRPNLBNLSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NS(C)(=O)=O ZINC000225480574 571850959 /nfs/dbraw/zinc/85/09/59/571850959.db2.gz CJKAGEXRZTWZGL-SXOMAYOGSA-N 0 0 582.151 5.700 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225481563 571852088 /nfs/dbraw/zinc/85/20/88/571852088.db2.gz NIOAVDBXIOKFDZ-NSOVKSMOSA-N 0 0 577.732 5.055 40 10 KKCBRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000225482435 571852928 /nfs/dbraw/zinc/85/29/28/571852928.db2.gz NLFWWGXSTAXMIT-JLJGYXLTSA-N 0 0 533.694 5.650 40 10 KKCBRN Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000260919509 571853075 /nfs/dbraw/zinc/85/30/75/571853075.db2.gz LVOPEWVOQNFMHT-AJQTZOPKSA-N 0 0 581.185 8.645 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(Br)c1 ZINC000260919515 571853646 /nfs/dbraw/zinc/85/36/46/571853646.db2.gz LWFCJIHVNVMSPL-BAGWDXEUSA-N 0 0 649.102 8.564 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260919682 571853741 /nfs/dbraw/zinc/85/37/41/571853741.db2.gz MUEDWGGWYQCFCU-DQEYMECFSA-N 0 0 519.512 6.653 40 10 KKCBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1F ZINC000260919614 571853848 /nfs/dbraw/zinc/85/38/48/571853848.db2.gz MMFZBFIQACAKPT-IZZNHLLZSA-N 0 0 507.078 6.991 40 10 KKCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260919687 571853870 /nfs/dbraw/zinc/85/38/70/571853870.db2.gz MUEDWGGWYQCFCU-LOSJGSFVSA-N 0 0 519.512 6.653 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C ZINC000225484607 571855154 /nfs/dbraw/zinc/85/51/54/571855154.db2.gz NHXQNUMZSNQJML-JDXGNMNLSA-N 0 0 589.787 5.917 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)cc21 ZINC000260922579 571859302 /nfs/dbraw/zinc/85/93/02/571859302.db2.gz QCEFGWNWQHHTAT-IOWSJCHKSA-N 0 0 567.158 8.336 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21 ZINC000260922603 571859852 /nfs/dbraw/zinc/85/98/52/571859852.db2.gz QKWMVUYVKGEQNO-RRPNLBNLSA-N 0 0 518.130 6.610 40 10 KKCBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000260924144 571862394 /nfs/dbraw/zinc/86/23/94/571862394.db2.gz RUDVJIXPFYWNIY-CLJLJLNGSA-N 0 0 505.087 6.552 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000260925521 571864599 /nfs/dbraw/zinc/86/45/99/571864599.db2.gz UYUKTLOOAJYRAD-WTRTXXQSSA-N 0 0 584.233 8.110 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21 ZINC000260925631 571865070 /nfs/dbraw/zinc/86/50/70/571865070.db2.gz WHTHMBIODHWUPK-RPBOFIJWSA-N 0 0 553.957 7.306 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225497496 571866738 /nfs/dbraw/zinc/86/67/38/571866738.db2.gz DZZHDYOBOJIJPT-RRPNLBNLSA-N 0 0 549.622 6.119 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c1C ZINC000260927016 571868151 /nfs/dbraw/zinc/86/81/51/571868151.db2.gz XUDVFMNTUBMCFE-QGKSIAKZSA-N 0 0 628.242 7.589 40 10 KKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)cc21 ZINC000260927116 571868699 /nfs/dbraw/zinc/86/86/99/571868699.db2.gz YFMZJLXKJZGVNP-CONSDPRKSA-N 0 0 606.667 8.434 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225502856 571873165 /nfs/dbraw/zinc/87/31/65/571873165.db2.gz HETBSCRTCCTDER-IOWSJCHKSA-N 0 0 531.685 6.254 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225507782 571879036 /nfs/dbraw/zinc/87/90/36/571879036.db2.gz WYCNLLMEWVGPOI-URLMMPGGSA-N 0 0 509.679 5.717 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000225527418 571893985 /nfs/dbraw/zinc/89/39/85/571893985.db2.gz SONIYCMQNHWURT-ACHIHNKUSA-N 0 0 545.712 6.644 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F ZINC000225528533 571895010 /nfs/dbraw/zinc/89/50/10/571895010.db2.gz RZRWMSNDXBMMRP-NSOVKSMOSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000225528948 571896071 /nfs/dbraw/zinc/89/60/71/571896071.db2.gz ZXFUJOMMVYOJKQ-NSOVKSMOSA-N 0 0 530.097 6.144 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225529630 571896559 /nfs/dbraw/zinc/89/65/59/571896559.db2.gz MSNIDYGFFDPRKA-URLMMPGGSA-N 0 0 525.678 5.499 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000225530969 571897681 /nfs/dbraw/zinc/89/76/81/571897681.db2.gz AQEGECCNBBRCED-VMPREFPWSA-N 0 0 539.661 5.219 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225531387 571898208 /nfs/dbraw/zinc/89/82/08/571898208.db2.gz HYPIJORWLWIRIR-URLMMPGGSA-N 0 0 570.675 5.407 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000225531415 571898332 /nfs/dbraw/zinc/89/83/32/571898332.db2.gz HYPIJORWLWIRIR-VMPREFPWSA-N 0 0 570.675 5.407 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531830 571898632 /nfs/dbraw/zinc/89/86/32/571898632.db2.gz DYUHQDBMAPZKHD-FQLXRVMXSA-N 0 0 570.675 5.407 40 10 KKCBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1C ZINC000225531862 571898679 /nfs/dbraw/zinc/89/86/79/571898679.db2.gz DYUHQDBMAPZKHD-WDYNHAJCSA-N 0 0 570.675 5.407 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000225532153 571899023 /nfs/dbraw/zinc/89/90/23/571899023.db2.gz JWPRVOHTHGAVBB-NSOVKSMOSA-N 0 0 510.667 5.194 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225549404 571911989 /nfs/dbraw/zinc/91/19/89/571911989.db2.gz WPUYWPFZQSALSW-LOYHVIPDSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225549031 571912054 /nfs/dbraw/zinc/91/20/54/571912054.db2.gz ONZXHSPUGOXMLX-IHLOFXLRSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000225549091 571912113 /nfs/dbraw/zinc/91/21/13/571912113.db2.gz ONZXHSPUGOXMLX-LOYHVIPDSA-N 0 0 541.696 6.192 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000225549591 571912209 /nfs/dbraw/zinc/91/22/09/571912209.db2.gz FEFAJQXSAQYIIS-KYJUHHDHSA-N 0 0 558.151 6.706 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225549779 571912628 /nfs/dbraw/zinc/91/26/28/571912628.db2.gz UDVHPPXRXGAJBQ-IHLOFXLRSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C ZINC000225549842 571912642 /nfs/dbraw/zinc/91/26/42/571912642.db2.gz UDVHPPXRXGAJBQ-LOYHVIPDSA-N 0 0 602.602 6.815 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000225552064 571914978 /nfs/dbraw/zinc/91/49/78/571914978.db2.gz NEUPIEFUOODCDX-ZWXJPIIXSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000225552460 571915501 /nfs/dbraw/zinc/91/55/01/571915501.db2.gz MRDKOTRULMLWTE-CONSDPRKSA-N 0 0 572.178 7.015 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000225553503 571916193 /nfs/dbraw/zinc/91/61/93/571916193.db2.gz BNWAUBXEGNABKE-CQTOTRCISA-N 0 0 565.787 6.924 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000225553305 571916216 /nfs/dbraw/zinc/91/62/16/571916216.db2.gz PNYNGCDLFJGDIQ-CONSDPRKSA-N 0 0 598.729 5.970 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000225553764 571916338 /nfs/dbraw/zinc/91/63/38/571916338.db2.gz ROOFUQUETDTCFS-WDYNHAJCSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225553902 571916407 /nfs/dbraw/zinc/91/64/07/571916407.db2.gz QEJUQEQTOBIDAC-IHLOFXLRSA-N 0 0 538.721 5.756 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000225561284 571923178 /nfs/dbraw/zinc/92/31/78/571923178.db2.gz OLKVJVFIIMVTTL-WDYNHAJCSA-N 0 0 509.679 5.744 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000225561314 571923217 /nfs/dbraw/zinc/92/32/17/571923217.db2.gz OLKVJVFIIMVTTL-URLMMPGGSA-N 0 0 509.679 5.744 40 10 KKCBRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000225561761 571923543 /nfs/dbraw/zinc/92/35/43/571923543.db2.gz QCSGGKLYOAPZPJ-CONSDPRKSA-N 0 0 581.742 5.839 40 10 KKCBRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000225565350 571927428 /nfs/dbraw/zinc/92/74/28/571927428.db2.gz RNJNFSOJHRMMQA-WDYNHAJCSA-N 0 0 560.167 6.676 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1O ZINC000225567532 571929161 /nfs/dbraw/zinc/92/91/61/571929161.db2.gz YDJJQUMUAJTMFL-WDYNHAJCSA-N 0 0 560.123 6.158 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000225569779 571931723 /nfs/dbraw/zinc/93/17/23/571931723.db2.gz JPYAWNWIUIFZSH-LOYHVIPDSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000225570590 571932258 /nfs/dbraw/zinc/93/22/58/571932258.db2.gz IAOHXXFESAMOOM-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000225571026 571932293 /nfs/dbraw/zinc/93/22/93/571932293.db2.gz ZURSIRDBKILKAA-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1Cl ZINC000225570765 571932389 /nfs/dbraw/zinc/93/23/89/571932389.db2.gz FLHVHSMHZXAUIW-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225571785 571933005 /nfs/dbraw/zinc/93/30/05/571933005.db2.gz SEJMUNDRHNVUTN-XZWHSSHBSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225571844 571933010 /nfs/dbraw/zinc/93/30/10/571933010.db2.gz DZHOXQZASUOJNS-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225571685 571933118 /nfs/dbraw/zinc/93/31/18/571933118.db2.gz BEUXEOHXPQKXJL-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000225572727 571934105 /nfs/dbraw/zinc/93/41/05/571934105.db2.gz OFTKLQNHKVZNGN-VMPREFPWSA-N 0 0 578.569 7.106 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225573394 571934359 /nfs/dbraw/zinc/93/43/59/571934359.db2.gz HTPMJSSWMBEKHL-IOWSJCHKSA-N 0 0 537.733 6.416 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225574698 571935112 /nfs/dbraw/zinc/93/51/12/571935112.db2.gz QQDXLOMPMPBIRR-CDZUIXILSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000225582240 571941234 /nfs/dbraw/zinc/94/12/34/571941234.db2.gz YCCDGMGXWCKHGO-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1C ZINC000225582537 571941594 /nfs/dbraw/zinc/94/15/94/571941594.db2.gz DMIXBYQLAOSXNK-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225582644 571941621 /nfs/dbraw/zinc/94/16/21/571941621.db2.gz IWVASXGOEMQWKF-XZWHSSHBSA-N 0 0 567.715 5.585 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000225582436 571941656 /nfs/dbraw/zinc/94/16/56/571941656.db2.gz YMOBNUONGXZGKT-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000225586087 571944331 /nfs/dbraw/zinc/94/43/31/571944331.db2.gz WLEXCXNLMDVFKF-SXOMAYOGSA-N 0 0 514.630 5.025 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000225589922 571946356 /nfs/dbraw/zinc/94/63/56/571946356.db2.gz ZXUVYOXXLOSZNU-IZLXSDGUSA-N 0 0 513.642 5.630 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc2ccccc21 ZINC000225589588 571946388 /nfs/dbraw/zinc/94/63/88/571946388.db2.gz BHIVLKZXECADKX-AJQTZOPKSA-N 0 0 563.702 6.783 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000225590226 571946638 /nfs/dbraw/zinc/94/66/38/571946638.db2.gz CGSZBEUCLRTEQU-URLMMPGGSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C ZINC000225590054 571946793 /nfs/dbraw/zinc/94/67/93/571946793.db2.gz JYINWMGZBDNHMS-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)c1 ZINC000225592393 571947915 /nfs/dbraw/zinc/94/79/15/571947915.db2.gz SNWKQWWEMBEJPV-URLMMPGGSA-N 0 0 543.668 5.638 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(O)cc1 ZINC000225592222 571948116 /nfs/dbraw/zinc/94/81/16/571948116.db2.gz WODURLQTQLXCFG-IZLXSDGUSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1O ZINC000225592118 571948173 /nfs/dbraw/zinc/94/81/73/571948173.db2.gz HSPZHYAXIVFANO-WUFINQPMSA-N 0 0 529.641 5.335 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225594069 571949521 /nfs/dbraw/zinc/94/95/21/571949521.db2.gz BRYNLKNARSGZPN-KYJUHHDHSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ncccc1C ZINC000225595480 571950822 /nfs/dbraw/zinc/95/08/22/571950822.db2.gz JTRWUAGGHYJBGX-SXOMAYOGSA-N 0 0 528.657 5.333 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000225611676 571963706 /nfs/dbraw/zinc/96/37/06/571963706.db2.gz JVLIAGXPFSNWTC-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(F)c1 ZINC000225611554 571963820 /nfs/dbraw/zinc/96/38/20/571963820.db2.gz NEODBCGQMSQORP-IZLXSDGUSA-N 0 0 531.632 5.769 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)cc(C)c1 ZINC000225614332 571965483 /nfs/dbraw/zinc/96/54/83/571965483.db2.gz SLMGOJFBKYAALH-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1c(C)cccc1C ZINC000225614191 571965520 /nfs/dbraw/zinc/96/55/20/571965520.db2.gz QWYPAVNKSFUXMK-MFMCTBQISA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C)cc(C)c1 ZINC000225614300 571965620 /nfs/dbraw/zinc/96/56/20/571965620.db2.gz SLMGOJFBKYAALH-IHLOFXLRSA-N 0 0 541.696 6.246 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)c1 ZINC000225622229 571972964 /nfs/dbraw/zinc/97/29/64/571972964.db2.gz VIPFWRCCVDFNSO-URLMMPGGSA-N 0 0 571.678 5.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225624583 571976221 /nfs/dbraw/zinc/97/62/21/571976221.db2.gz WMCKKEAQPMLRGX-NOCHOARKSA-N 0 0 608.812 5.944 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225624537 571976332 /nfs/dbraw/zinc/97/63/32/571976332.db2.gz IHMDLEOVBNOKFO-KYJUHHDHSA-N 0 0 591.703 7.126 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1F ZINC000225629484 571981335 /nfs/dbraw/zinc/98/13/35/571981335.db2.gz KUDXTSYKTFRNFE-LOYHVIPDSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1Cl ZINC000225629795 571981853 /nfs/dbraw/zinc/98/18/53/571981853.db2.gz GQJIMSOXWLRRNV-LOYHVIPDSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000225629739 571981954 /nfs/dbraw/zinc/98/19/54/571981954.db2.gz TWHHMLJOTPXLCK-XZWHSSHBSA-N 0 0 541.696 6.246 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000225630037 571981973 /nfs/dbraw/zinc/98/19/73/571981973.db2.gz RUJDFQGIEXLUFN-IHLOFXLRSA-N 0 0 558.151 6.761 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000225630321 571982452 /nfs/dbraw/zinc/98/24/52/571982452.db2.gz RFVVBTQZUYMIPC-LOYHVIPDSA-N 0 0 602.602 6.870 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225630588 571982746 /nfs/dbraw/zinc/98/27/46/571982746.db2.gz QULRZHDIXFCTFI-XZWHSSHBSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1O ZINC000225630507 571982897 /nfs/dbraw/zinc/98/28/97/571982897.db2.gz CCUKWGBBHQIWCD-KYJUHHDHSA-N 0 0 539.705 5.813 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C)ccc1C ZINC000225631760 571983646 /nfs/dbraw/zinc/98/36/46/571983646.db2.gz HXUBXOBVICTGNK-ZWXJPIIXSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000225631554 571983767 /nfs/dbraw/zinc/98/37/67/571983767.db2.gz GQHBUYRKXWOYAS-IHLOFXLRSA-N 0 0 592.596 7.414 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1C ZINC000225631649 571983806 /nfs/dbraw/zinc/98/38/06/571983806.db2.gz RTHDUDAVFPTPSX-ZWXJPIIXSA-N 0 0 551.760 6.724 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000225632198 571984174 /nfs/dbraw/zinc/98/41/74/571984174.db2.gz XPOAGARNPGKMAX-VTIYRKAUSA-N 0 0 565.787 7.033 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000225633135 571984967 /nfs/dbraw/zinc/98/49/67/571984967.db2.gz KQCMNWZDVSIGQZ-WEZIJMHWSA-N 0 0 565.787 6.978 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C)cn1 ZINC000225633453 571985387 /nfs/dbraw/zinc/98/53/87/571985387.db2.gz VGEUVGDAJWJEGC-XZWHSSHBSA-N 0 0 538.721 5.811 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)c1 ZINC000225639313 571990712 /nfs/dbraw/zinc/99/07/12/571990712.db2.gz OKJKKKXVYSJOSH-IOWSJCHKSA-N 0 0 581.742 5.894 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000225641655 571992029 /nfs/dbraw/zinc/99/20/29/571992029.db2.gz FSJCWEYTUWKNBS-WDYNHAJCSA-N 0 0 577.676 6.818 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225646118 571995149 /nfs/dbraw/zinc/99/51/49/571995149.db2.gz TYKGMMRLLVMOGA-JHOUSYSJSA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc2ccccc21 ZINC000225646069 571995155 /nfs/dbraw/zinc/99/51/55/571995155.db2.gz TYKGMMRLLVMOGA-CZNDPXEESA-N 0 0 559.739 6.952 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000225646747 571995544 /nfs/dbraw/zinc/99/55/44/571995544.db2.gz SUANQRVUIMGGFC-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C ZINC000225646549 571995608 /nfs/dbraw/zinc/99/56/08/571995608.db2.gz CXNLEVSPLXJTEA-KYJUHHDHSA-N 0 0 523.706 6.107 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(F)c1 ZINC000225647190 571996079 /nfs/dbraw/zinc/99/60/79/571996079.db2.gz OMTXKJDDKQAFJV-WDYNHAJCSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1Cl ZINC000225647432 571996524 /nfs/dbraw/zinc/99/65/24/571996524.db2.gz YCDNOBZSLXWGLU-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(O)cc1 ZINC000225648255 571996869 /nfs/dbraw/zinc/99/68/69/571996869.db2.gz MKBMYTVYQHMEJU-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648419 571997329 /nfs/dbraw/zinc/99/73/29/571997329.db2.gz CWJLRIDANAKEEV-LOYHVIPDSA-N 0 0 539.705 5.807 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)ccc1C ZINC000225649463 571998245 /nfs/dbraw/zinc/99/82/45/571998245.db2.gz VLQKAMFDNNXIKB-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000225649700 571998507 /nfs/dbraw/zinc/99/85/07/571998507.db2.gz RHPCMIWXOKASGA-JSOSNVBQSA-N 0 0 537.733 6.416 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650786 571999301 /nfs/dbraw/zinc/99/93/01/571999301.db2.gz HIEBYBBGVDIIGY-XDFJSJKPSA-N 0 0 551.760 6.670 40 10 KKCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1C ZINC000225650763 571999409 /nfs/dbraw/zinc/99/94/09/571999409.db2.gz HIEBYBBGVDIIGY-BHYZAODMSA-N 0 0 551.760 6.670 40 10 KKCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)cc1 ZINC000225657467 572003933 /nfs/dbraw/zinc/00/39/33/572003933.db2.gz GTANBXFTZHAIIB-WDYNHAJCSA-N 0 0 525.678 5.499 40 10 KKCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225657968 572004414 /nfs/dbraw/zinc/00/44/14/572004414.db2.gz OOYDDYUHPXMNGE-IHLOFXLRSA-N 0 0 567.715 5.585 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000225660361 572005595 /nfs/dbraw/zinc/00/55/95/572005595.db2.gz NBUIGFDBAPLNAJ-VMPREFPWSA-N 0 0 593.675 6.518 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000225663101 572007354 /nfs/dbraw/zinc/00/73/54/572007354.db2.gz IVVNIABWODWBFO-WDYNHAJCSA-N 0 0 576.122 5.858 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000225665536 572009126 /nfs/dbraw/zinc/00/91/26/572009126.db2.gz LXKIVUABNVFZFW-IHLOFXLRSA-N 0 0 539.705 5.807 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000225666244 572009370 /nfs/dbraw/zinc/00/93/70/572009370.db2.gz XHGSWVZORIKIAD-VMPREFPWSA-N 0 0 543.668 5.638 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000225666669 572009392 /nfs/dbraw/zinc/00/93/92/572009392.db2.gz AKDGMHHBCYVFDA-URLMMPGGSA-N 0 0 560.123 6.152 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000225667474 572009857 /nfs/dbraw/zinc/00/98/57/572009857.db2.gz QTCNKJXSASMCGG-VMPREFPWSA-N 0 0 541.677 5.205 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000225667137 572009931 /nfs/dbraw/zinc/00/99/31/572009931.db2.gz RXEULPSFODLTGV-WDYNHAJCSA-N 0 0 604.574 6.262 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000225669729 572011206 /nfs/dbraw/zinc/01/12/06/572011206.db2.gz KGXGASRFFBAZSO-LOYHVIPDSA-N 0 0 600.701 5.416 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000225669423 572011300 /nfs/dbraw/zinc/01/13/00/572011300.db2.gz ADWDYRXCYIKMBL-CDZUIXILSA-N 0 0 567.759 6.424 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000225670606 572011932 /nfs/dbraw/zinc/01/19/32/572011932.db2.gz MTUUMIWGUBDMGY-FQLXRVMXSA-N 0 0 540.693 5.202 40 10 KKCBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000225670823 572012285 /nfs/dbraw/zinc/01/22/85/572012285.db2.gz YFLDEZOKZDJBOP-URLMMPGGSA-N 0 0 540.693 5.202 40 10 KKCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)c1 ZINC000225677889 572016698 /nfs/dbraw/zinc/01/66/98/572016698.db2.gz SMOWYRIELZNPBQ-XZWHSSHBSA-N 0 0 583.714 5.286 40 10 KKCBRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000225680870 572018662 /nfs/dbraw/zinc/01/86/62/572018662.db2.gz GHLGMONVYDEZFF-VMPREFPWSA-N 0 0 525.722 6.023 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccn1 ZINC000225681727 572019117 /nfs/dbraw/zinc/01/91/17/572019117.db2.gz YPEXRGKAKXXRMM-VSGBNLITSA-N 0 0 510.667 5.194 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000225685272 572021608 /nfs/dbraw/zinc/02/16/08/572021608.db2.gz LLHKYMVAHKMQQG-IHLOFXLRSA-N 0 0 523.706 6.107 40 10 KKCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225685755 572022032 /nfs/dbraw/zinc/02/20/32/572022032.db2.gz GHASXFWBVIIUCO-CONSDPRKSA-N 0 0 537.733 6.361 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000225686078 572022428 /nfs/dbraw/zinc/02/24/28/572022428.db2.gz RKBOQAALSOBFHC-URLMMPGGSA-N 0 0 544.124 6.452 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1F ZINC000225685837 572022500 /nfs/dbraw/zinc/02/25/00/572022500.db2.gz WLOJBSRSSHADLW-VMPREFPWSA-N 0 0 527.669 5.938 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1Br ZINC000225686262 572022899 /nfs/dbraw/zinc/02/28/99/572022899.db2.gz CQCBSQBJNWQHEO-WDYNHAJCSA-N 0 0 588.575 6.561 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(O)cc1 ZINC000225686688 572023244 /nfs/dbraw/zinc/02/32/44/572023244.db2.gz IETLVVCGIZOHHX-URLMMPGGSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1O ZINC000225686607 572023253 /nfs/dbraw/zinc/02/32/53/572023253.db2.gz OIIGIVIBVXBENT-VMPREFPWSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1O ZINC000225686529 572023265 /nfs/dbraw/zinc/02/32/65/572023265.db2.gz OIIGIVIBVXBENT-FQLXRVMXSA-N 0 0 525.678 5.504 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C)ccn1 ZINC000225689315 572024855 /nfs/dbraw/zinc/02/48/55/572024855.db2.gz LJMSYCKJMNGUKN-WDYNHAJCSA-N 0 0 524.694 5.502 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000225699206 572030800 /nfs/dbraw/zinc/03/08/00/572030800.db2.gz TUKXZEJCSFEVNW-XDSPJLLDSA-N 0 0 630.818 6.480 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1O ZINC000225701797 572032791 /nfs/dbraw/zinc/03/27/91/572032791.db2.gz HAKXQLFCHUJGNV-ACHIHNKUSA-N 0 0 596.156 7.003 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(F)(F)F ZINC000225704415 572035189 /nfs/dbraw/zinc/03/51/89/572035189.db2.gz ZHQZXJPNHZWYEC-AJQTZOPKSA-N 0 0 613.709 7.662 40 10 KKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1O ZINC000225705711 572036199 /nfs/dbraw/zinc/03/61/99/572036199.db2.gz RAOWHXFMEDJPJI-ROJLCIKYSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(O)cc1 ZINC000225705861 572036243 /nfs/dbraw/zinc/03/62/43/572036243.db2.gz MQTWUQBOEGNDIH-ZWXJPIIXSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(O)cc1 ZINC000225705885 572036247 /nfs/dbraw/zinc/03/62/47/572036247.db2.gz MQTWUQBOEGNDIH-AJQTZOPKSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(O)cc1 ZINC000225705917 572036317 /nfs/dbraw/zinc/03/63/17/572036317.db2.gz MQTWUQBOEGNDIH-ACHIHNKUSA-N 0 0 561.711 6.349 40 10 KKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000225706856 572037223 /nfs/dbraw/zinc/03/72/23/572037223.db2.gz XZKFGPFARPHANT-ACHIHNKUSA-N 0 0 614.602 7.950 40 10 KKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(Cl)ccc1C ZINC000225708066 572038015 /nfs/dbraw/zinc/03/80/15/572038015.db2.gz ODKLTHUAYQONLN-SAIUNTKASA-N 0 0 594.184 7.605 40 10 KKCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1C ZINC000225715743 572044105 /nfs/dbraw/zinc/04/41/05/572044105.db2.gz PJPQSKPSOSUHGO-SAIUNTKASA-N 0 0 603.748 6.430 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225750383 572060840 /nfs/dbraw/zinc/06/08/40/572060840.db2.gz KMBMVTIDRCAWID-NHCUHLMSSA-N 0 0 521.708 5.387 40 10 KKCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225806053 572072721 /nfs/dbraw/zinc/07/27/21/572072721.db2.gz AKYZSTBRVXIJCE-WOJBJXKFSA-N 0 0 556.153 6.041 40 10 KKCBRN C[C@H]1C[C@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225951946 572085992 /nfs/dbraw/zinc/08/59/92/572085992.db2.gz WFRNZCOQKSEKCI-VXKWHMMOSA-N 0 0 507.752 5.036 40 10 KKCBRN C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225951911 572086005 /nfs/dbraw/zinc/08/60/05/572086005.db2.gz WFRNZCOQKSEKCI-FGZHOGPDSA-N 0 0 507.752 5.036 40 10 KKCBRN C[C@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225953938 572086397 /nfs/dbraw/zinc/08/63/97/572086397.db2.gz IAFUDAJYUBLNNV-QFIPXVFZSA-N 0 0 527.742 5.320 40 10 KKCBRN CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 ZINC000225952536 572086440 /nfs/dbraw/zinc/08/64/40/572086440.db2.gz ACRKRPWQKKGSKD-UHFFFAOYSA-N 0 0 507.752 5.180 40 10 KKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 ZINC000225954436 572087076 /nfs/dbraw/zinc/08/70/76/572087076.db2.gz OSJNIIXTBYKDAC-UHFFFAOYSA-N 0 0 554.749 5.067 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408526202 572157042 /nfs/dbraw/zinc/15/70/42/572157042.db2.gz AZFBSKUEZXSDJE-LGMDPLHJSA-N 0 0 523.435 5.357 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408527929 572162245 /nfs/dbraw/zinc/16/22/45/572162245.db2.gz GSZGTTRILMVPES-HAHDFKILSA-N 0 0 516.558 5.194 40 10 KKCBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408529547 572168370 /nfs/dbraw/zinc/16/83/70/572168370.db2.gz INIDVBWBWLZCAE-MLPAPPSSSA-N 0 0 569.705 5.122 40 10 KKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(Br)c(C)c1C ZINC000408529751 572169264 /nfs/dbraw/zinc/16/92/64/572169264.db2.gz HVLKUPCKIKLHJD-XYGWBWBKSA-N 0 0 561.524 6.962 40 10 KKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000408530442 572171778 /nfs/dbraw/zinc/17/17/78/572171778.db2.gz LUQHEZZPQDTQSS-HAHDFKILSA-N 0 0 583.368 7.706 40 10 KKCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531245 572174971 /nfs/dbraw/zinc/17/49/71/572174971.db2.gz OYLSINHNTAGGAL-APSNUPSMSA-N 0 0 560.304 5.283 40 10 KKCBRN COc1ccc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1CN1C(=O)c2ccccc2C1=O ZINC000408533051 572182112 /nfs/dbraw/zinc/18/21/12/572182112.db2.gz NYTRGQDUNZXUMN-RGXNXFOYSA-N 0 0 600.719 6.678 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408533300 572182522 /nfs/dbraw/zinc/18/25/22/572182522.db2.gz XVTJRNAYPNKGOD-SXGWCWSVSA-N 0 0 576.275 5.520 40 10 KKCBRN COc1cc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408537510 572194958 /nfs/dbraw/zinc/19/49/58/572194958.db2.gz FSRPDHCPTRFWIF-UHFFFAOYSA-N 0 0 610.666 7.437 40 10 KKCBRN COc1cc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539756 572203479 /nfs/dbraw/zinc/20/34/79/572203479.db2.gz YPOFZXDZBOBEPC-UHFFFAOYSA-N 0 0 679.556 8.743 40 10 KKCBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540999 572207383 /nfs/dbraw/zinc/20/73/83/572207383.db2.gz XDABWXVROCQJGD-ZVHZXABRSA-N 0 0 542.078 6.394 40 10 KKCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541474 572208886 /nfs/dbraw/zinc/20/88/86/572208886.db2.gz ZQKXBAWMSGDAEZ-JVWAILMASA-N 0 0 532.618 5.358 40 10 KKCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550818 572235039 /nfs/dbraw/zinc/23/50/39/572235039.db2.gz HLMLHHRHWCHNSL-UHFFFAOYSA-N 0 0 616.457 6.603 40 10 KKCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408552754 572238985 /nfs/dbraw/zinc/23/89/85/572238985.db2.gz VBNUXWFZMIFTQU-RWPZCVJISA-N 0 0 543.733 6.221 40 10 KKCBRN O=C1C(=Cc2ccccc2I)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408553492 572240704 /nfs/dbraw/zinc/24/07/04/572240704.db2.gz ZNAMWBBUHIRBSX-UHFFFAOYSA-N 0 0 510.356 5.040 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000408571232 572256959 /nfs/dbraw/zinc/25/69/59/572256959.db2.gz AMCOLCACJBQORU-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c1 ZINC000408571242 572256965 /nfs/dbraw/zinc/25/69/65/572256965.db2.gz AODLPPOBYOTHGN-JLPGSUDCSA-N 0 0 504.633 5.681 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408571496 572257146 /nfs/dbraw/zinc/25/71/46/572257146.db2.gz BGRGEYRUZGRKTD-MYKKPKGFSA-N 0 0 573.523 6.811 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408572300 572257646 /nfs/dbraw/zinc/25/76/46/572257646.db2.gz FYMPQLSFDJGXLP-QFEZKATASA-N 0 0 553.105 6.466 40 10 KKCBRN O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408572422 572257787 /nfs/dbraw/zinc/25/77/87/572257787.db2.gz GYIYTOYNYSQDQD-BKUYFWCQSA-N 0 0 514.550 6.129 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Br)cc3C)SC2=S)cc1 ZINC000408572429 572257756 /nfs/dbraw/zinc/25/77/56/572257756.db2.gz GYZFODKOLCIEIL-UCQKPKSFSA-N 0 0 569.502 6.189 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)SC2=S)cc1 ZINC000408572426 572257835 /nfs/dbraw/zinc/25/78/35/572257835.db2.gz GYJCFBZMXKYSCJ-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c1 ZINC000408572699 572258049 /nfs/dbraw/zinc/25/80/49/572258049.db2.gz HRWVSQJWTHLHLO-JLPGSUDCSA-N 0 0 504.633 5.157 40 10 KKCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1C ZINC000408573826 572259199 /nfs/dbraw/zinc/25/91/99/572259199.db2.gz KVFOQGSZOZDSLL-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574665 572259854 /nfs/dbraw/zinc/25/98/54/572259854.db2.gz MFZMZMHKBHMLLN-XKZIYDEJSA-N 0 0 528.577 6.124 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000408574810 572259966 /nfs/dbraw/zinc/25/99/66/572259966.db2.gz MVADNZCUONHCAP-XYGWBWBKSA-N 0 0 597.556 6.228 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000408574868 572259996 /nfs/dbraw/zinc/25/99/96/572259996.db2.gz FEFHZKAFYTYLKK-MYYYXRDXSA-N 0 0 611.583 7.196 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408575272 572260384 /nfs/dbraw/zinc/26/03/84/572260384.db2.gz NOYLANGMODUTCB-JLPGSUDCSA-N 0 0 504.633 5.504 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000408575278 572260387 /nfs/dbraw/zinc/26/03/87/572260387.db2.gz NPMBCZALNJTYLV-QQXSKIMKSA-N 0 0 532.687 6.121 40 10 KKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000408575306 572260433 /nfs/dbraw/zinc/26/04/33/572260433.db2.gz NRUOXVRPNHDKCQ-HAHDFKILSA-N 0 0 504.633 5.735 40 10 KKCBRN O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccccc1Cl ZINC000408575402 572260499 /nfs/dbraw/zinc/26/04/99/572260499.db2.gz OEOBPMRWVFNKKF-KQWNVCNZSA-N 0 0 509.052 5.801 40 10 KKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3)SC2=S)cc1 ZINC000408575454 572260511 /nfs/dbraw/zinc/26/05/11/572260511.db2.gz OJGXOTHAMPARFM-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408575844 572260880 /nfs/dbraw/zinc/26/08/80/572260880.db2.gz OPINVQPAEJKBPJ-XKZIYDEJSA-N 0 0 511.024 5.772 40 10 KKCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000408575859 572260892 /nfs/dbraw/zinc/26/08/92/572260892.db2.gz OQWOTKVHDKZKKR-ULJHMMPZSA-N 0 0 502.661 5.765 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408576570 572261292 /nfs/dbraw/zinc/26/12/92/572261292.db2.gz XBFBVQZKFIOQFC-JLPGSUDCSA-N 0 0 504.633 5.817 40 10 KKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(Cl)ccc4C)c3)SC2=S)cc1 ZINC000408576724 572261406 /nfs/dbraw/zinc/26/14/06/572261406.db2.gz ZVFZILQDIXROHT-QRVIBDJDSA-N 0 0 509.052 6.380 40 10 KKCBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OCC)cc1 ZINC000408577436 572261994 /nfs/dbraw/zinc/26/19/94/572261994.db2.gz SOALDQTYFVEOKN-ONUIUJJFSA-N 0 0 548.686 5.903 40 10 KKCBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408577653 572262288 /nfs/dbraw/zinc/26/22/88/572262288.db2.gz UCUNQEHXHZLTSN-IWIPYMOSSA-N 0 0 522.623 5.643 40 10 KKCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2Cl)cc1 ZINC000408578146 572262696 /nfs/dbraw/zinc/26/26/96/572262696.db2.gz WCEOQFHHAKKPSZ-IWIPYMOSSA-N 0 0 523.079 6.321 40 10 KKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)SC2=S)cc1 ZINC000408578272 572262961 /nfs/dbraw/zinc/26/29/61/572262961.db2.gz XBBFNXGHPUTJGL-IWIPYMOSSA-N 0 0 504.633 5.735 40 10 KKCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c(C)c1 ZINC000408578405 572263022 /nfs/dbraw/zinc/26/30/22/572263022.db2.gz YCYSZARJDPSIQG-UQQQWYQISA-N 0 0 502.661 5.765 40 10 KKCBRN O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408603144 572273645 /nfs/dbraw/zinc/27/36/45/572273645.db2.gz QJKWSNAPJYKAAX-UHFFFAOYSA-N 0 0 513.893 6.092 40 10 KKCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]12 ZINC000253566846 572300270 /nfs/dbraw/zinc/30/02/70/572300270.db2.gz JLMCFLGGAJGMNR-GMQQYTKMSA-N 0 0 628.862 6.590 40 10 KKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(C(c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)cc21 ZINC000256055375 572305204 /nfs/dbraw/zinc/30/52/04/572305204.db2.gz DSNYGKRELNJSIA-ZONZVBGPSA-N 0 0 577.901 10.033 40 10 KKCBRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000408663138 572309968 /nfs/dbraw/zinc/30/99/68/572309968.db2.gz GNMVFFMEPRIYJY-UHFFFAOYSA-N 0 0 512.562 5.931 40 10 KKCBRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408666068 572311864 /nfs/dbraw/zinc/31/18/64/572311864.db2.gz NOWKXOBGELGAGX-UHFFFAOYSA-N 0 0 547.007 6.585 40 10 KKCBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000408668390 572313355 /nfs/dbraw/zinc/31/33/55/572313355.db2.gz SPOFEUBDKSPMGR-UHFFFAOYSA-N 0 0 609.904 7.647 40 10 KKCBRN